MonarchInit/C3PO huggingface dataset:
Compound: 4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)OC)N3C[C@H](N(C[C@@H]3C)CC=C)C
Compound: 1-(diphenylmethyl)-4-(3-phenylprop-1-enyl)piperazine
SMILES: C1CN(CCN1C=CCC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
Compound: N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILES: CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
Compound: 2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(1,3-benzothiazol-2-yl)acetamide
SMILES: CN(C1=CC=C(C=C1)OCC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4
Compound: (E)-cinnamoyl-CoA
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccccc1
Compound: N-(3-chloro-2-methylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
SMILES: CC1=C(C=CC=C1Cl)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N(C)C
Compound: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(thiophen-2-ylmethyl)amino]-2-(2-furanyl)-N-(3-methylbutyl)acetamide
SMILES: CC(C)CCNC(=O)C(C1=CC=CO1)N(CC2=CC=CS2)C(=O)CN3C4=CC=CC=C4N=N3
Compound: [5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]hydrazine
SMILES: C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)NN
Compound: 1-(4-methoxyphenyl)-4-[(4-methylphenyl)thio]-6-oxo-3-pyridazinecarboxylic acid methyl ester
SMILES: CC1=CC=C(C=C1)SC2=CC(=O)N(N=C2C(=O)OC)C3=CC=C(C=C3)OC
Compound: 4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C(N=C1NC2CCCCC2)N3C(=CC(=N3)C)C
Compound: 2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-methoxyphenyl)ethanone
SMILES: COC1=CC=CC=C1C(=O)CSC2=NN=C(O2)C3=CC=CO3
Compound: 5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=C2C(=O)NC(=S)N2
Compound: 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILES: C1=CC(=CC=C1C2=NC(=S)NN2)Cl
Compound: 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoic acid butyl ester
SMILES: CCCCOC(=O)C(C)NC1=NNC(=S)NC1=O
Compound: 4-[(3-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide
SMILES: C1=CC(=CC(=C1)Cl)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 8-(2-furanyl)-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SMILES: CC1(CC2=C(C(=NC(=C2CS1)C3=CC=CO3)N4CCN(CC4)C(=O)C5=CC=CO5)C#N)C
Compound: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5
Compound: 2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester
SMILES: CCN(CC)C(=O)C1=C(C(=C(S1)N)C(=O)OC(C)C)C
Compound: 3,4-dimethoxybenzenecarbothioic acid S-(4-chlorophenyl) ester
SMILES: COC1=C(C=C(C=C1)C(=O)SC2=CC=C(C=C2)Cl)OC
Compound: 4-(1,3-benzothiazol-2-yl)-5-[4-(N-methylanilino)-3-nitrophenyl]-4-pentenoic acid
SMILES: CN(C1=CC=CC=C1)C2=C(C=C(C=C2)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]
Compound: 1-[2-(4-methoxyphenoxy)ethylthio]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
SMILES: COC1=CC=C(C=C1)OCCSC2=NN=C3N2C4=CC=CC=C4S3
Compound: [5-(3-chlorophenyl)-3-isoxazolyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC(=CC=C4)Cl
Compound: 3-amino-4-[(4-chlorophenyl)thio]benzoic acid methyl ester
SMILES: COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)N
Compound: N-[2-(3-chlorophenyl)ethyl]-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]thio]acetamide
SMILES: COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCCC3=CC(=CC=C3)Cl
Compound: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester
SMILES: CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C
Compound: 3-methyl-N,1-diphenyl-4-pyrazolecarbothioamide
SMILES: CC1=NN(C=C1C(=S)NC2=CC=CC=C2)C3=CC=CC=C3
Compound: 3-[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid
SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=C(C=C(C=C2)Cl)Cl
Compound: 7-chloro-3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
SMILES: C1CCC(=CC1)CCN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S
Compound: 3-(1,1-dioxo-3-thiolanyl)-5-(3-pyridinylmethylidene)-2-sulfanylidene-4-thiazolidinone
SMILES: C1CS(=O)(=O)CC1N2C(=O)C(=CC3=CN=CC=C3)SC2=S
Compound: 6-[(2-ethylphenyl)sulfamoyl]-4-oxo-N-(2-oxolanylmethyl)-1H-quinoline-3-carboxamide
SMILES: CCC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4CCCO4
Compound: 2-(2,3-dimethylphenoxy)-N-(2-oxo-1-benzopyran-6-yl)acetamide
SMILES: CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)C
Compound: 2-[2-[[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-4-isoquinolinylidene]methylamino]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4C(F)(F)F
Compound: 2-[2-[[5-chloro-1-(2-chlorophenyl)-3-methyl-4-pyrazolyl]methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one
SMILES: CC1=CC(=O)N=C(N1)NN=CC2=C(N(N=C2C)C3=CC=CC=C3Cl)Cl
Compound: N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4
Compound: 3-(2-pyridinyl)-6-(2-pyridinylmethylthio)pyridazine
SMILES: C1=CC=NC(=C1)CSC2=NN=C(C=C2)C3=CC=CC=N3
Compound: 2-(butylamino)-N-[4-[5-[[2-(butylamino)-1-oxoethyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILES: CCCCNCC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CNCCCC
Compound: 4-methyl-N-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C(C)C
Compound: 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4C(=O)C(NC4=O)(C)C5=CC=C(C=C5)OC
Compound: 1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione
SMILES: CC1=CC(=CC(=C1)N2C(=O)CC(C2=O)SC3=NC=NN3)C
Compound: 2-[4-[[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)imino-4-oxo-5-thiazolidinylidene]methyl]phenoxy]acetic acid
SMILES: COC1=CC=C(C=C1)N=C2N(C(=O)C(=CC3=CC=C(C=C3)OCC(=O)O)S2)CCC4=CNC5=CC=CC=C54
Compound: N-cyclohexyl-2-(3-oxo-5-sulfanylidene-2,6-dihydroimidazo[1,2-c]quinazolin-2-yl)acetamide
SMILES: C1CCC(CC1)NC(=O)CC2C(=O)N3C(=N2)C4=CC=CC=C4NC3=S
Compound: 5-(4-nitrophenyl)-4-phenyl-2-thiazolamine
SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1-piperidinyl)methyl]-N-[(4-propan-2-yloxyphenyl)methylideneamino]-4-triazolecarboxamide
SMILES: CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OC(C)C
Compound: 2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(thiophen-2-ylmethyl)acetamide
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CS3)CC4=CC=C(C=C4)F
Compound: 1-[4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl]ethanone
SMILES: CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)C)C
Compound: N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-4-fluoro-3-methylbenzenesulfonamide
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C)F
Compound: LSM-21029
SMILES: CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C(=O)OCC(=O)NC(C)C
Compound: 2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile
SMILES: C=CCSC(=C(C#N)C#N)C1=CC2=C(N1)CCCC2
Compound: 2-furanyl-(4,4,8-trimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)methanone
SMILES: CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=CO4
Compound: 2-amino-4-phenyl-6-(1-pyrrolidinyl)pyridine-3,5-dicarbonitrile
SMILES: C1CCN(C1)C2=NC(=C(C(=C2C#N)C3=CC=CC=C3)C#N)N
Compound: 3-(4-methoxyphenyl)-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide
SMILES: COC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=CS2
Compound: N2-[(4-methoxy-3-nitrophenyl)methylideneamino]-N4-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine
SMILES: COC1=C(C=C(C=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCC4)[N+](=O)[O-]
Compound: 4,5-dichloro-3-isothiazolecarboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester
SMILES: CC(C(=O)NCC1=CC=CO1)OC(=O)C2=NSC(=C2Cl)Cl
Compound: N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1-piperidinecarbothioamide
SMILES: CC1CCCN(C1)C(=S)NC2=CC(=C(C=C2OC)Cl)OC
Compound: N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide
SMILES: C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])Cl
Compound: N,N-diethyl-4-[[5-oxo-6-(phenylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzenesulfonamide
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4
Compound: 2-(4-chlorophenoxy)-N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]acetamide
SMILES: C1CN(CCN1C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)C(=O)C4=CC=CO4
Compound: 2-anilino-5-(1H-indol-3-ylmethylidene)-4-oxo-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=CC2=CNC3=CC=CC=C32)C1=O)NC4=CC=CC=C4
Compound: N-[1-[1-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-benzimidazolyl]ethyl]-4-methylbenzamide
SMILES: CCN(CC)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2C(C)NC(=O)C4=CC=C(C=C4)C
Compound: N-(4-chlorophenyl)-7,8-dimethoxy-1-oxo-2-benzothiopyran-3-carboxamide
SMILES: COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)Cl)OC
Compound: N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=NSN=C2
Compound: [[[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-oxomethyl]amino]thiourea
SMILES: CC1=CC=C(C=C1)COC2=C(SC=C2)C(=O)NNC(=S)N
Compound: 2-(methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
SMILES: CNC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N
Compound: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]propanamide
SMILES: CCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C
Compound: 2-(1,3-benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1,3,4-oxadiazole
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=NN=C(O4)C5=CC=C(C=C5)F
Compound: 2-hydroxy-N-[[5-(3-nitrophenyl)-2-furanyl]methylideneamino]benzamide
SMILES: C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])O
Compound: 3-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]butanoic acid
SMILES: CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)CC(=O)O
Compound: 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-pyridinyl)-3-piperidinecarboxamide
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CN=CC=C3)Cl
Compound: 2-[[2,2,2-trichloro-1-[(2-methyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(C(Cl)(Cl)Cl)NC(=O)C(C)C
Compound: 1-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES: CC1=CC(=C(C=C1)N2C3=NC=NC(=O)C3=CN2)C
Compound: 2-[(4-chlorophenyl)-[2-[5-(4-chlorophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]propanedinitrile
SMILES: CC1=C(C(=O)N(N1)C2=NC=C(S2)C3=CC=C(C=C3)Cl)C(C4=CC=C(C=C4)Cl)C(C#N)C#N
Compound: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]
Compound: 4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]-1-cyclohexanamine
SMILES: CC(C)(C)C1CCC(CC1)NCCC2=CC=CC=C2OC
Compound: 2-(2-methoxyanilino)-N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]acetohydrazide
SMILES: COC1=CC=CC=C1NCC(=O)NNC=C2C=CC=C(C2=O)CC=C
Compound: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester
SMILES: COC1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)OC
Compound: 2,4-dichlorobenzoic acid [2-[[[[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazinylidene]methyl]phenyl] ester
SMILES: CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2OC(=O)C3=C(C=C(C=C3)Cl)Cl
Compound: 2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-phenylacetamide
SMILES: CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2CC(=O)NC4=CC=CC=C4)O
Compound: 5-[3-[[[[3-(dimethylamino)phenyl]-oxomethyl]hydrazinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid
SMILES: CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=NNC(=O)C3=CC(=CC=C3)N(C)C
Compound: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
SMILES: CC1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6
Compound: (1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol
SMILES: CN1C=CN=C1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)O
Compound: 3,5,7-trimethyl-N-[4-morpholinyl(sulfanylidene)methyl]-1-adamantanecarboxamide
SMILES: CC12CC3(CC(C1)(CC(C3)(C2)C)C(=O)NC(=S)N4CCOCC4)C
Compound: 2-(2-methoxyethyl)-9-methyl-1-oxo-N-(thiophen-2-ylmethyl)-4-pyrido[3,4-b]indolecarboxamide
SMILES: CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)NCC4=CC=CS4)CCOC
Compound: 3-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)Cl
Compound: 2-[4-[[4-[bis(2-hydroxyethyl)amino]-2-chlorophenyl]-(2-chlorophenyl)methyl]-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
SMILES: C1=CC=C(C(=C1)C(C2=C(C=C(C=C2)N(CCO)CCO)Cl)C3=C(C=C(C=C3)N(CCO)CCO)Cl)Cl
Compound: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NN=C(S2)N
Compound: 5-[2-[(5-methyl-2-furanyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
SMILES: CC1=CC=C(O1)C=NNC2=NC(=O)NN=C2
Compound: 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)C
Compound: 7-[(4-bromophenyl)-(6-hydroxy-8-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-6-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one
SMILES: C1CN2C(=C(C(=O)N=C2SC1)C(C3=CC=C(C=C3)Br)C4=C(N5CCCSC5=NC4=O)O)O
Compound: N'-[2-(1-naphthalenyloxy)-1-oxoethyl]-2-oxolanecarbohydrazide
SMILES: C1CC(OC1)C(=O)NNC(=O)COC2=CC=CC3=CC=CC=C32
Compound: 4-[(3-fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid
SMILES: C1=CC(=CC(=C1)F)CN(CC2=CN=CC=C2)C(=O)CCC(=O)O
Compound: 2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) ester
SMILES: CC(=O)C1=C(C2=CC=CC=C2S1)OC(=O)C3=CC=CO3
Compound: 5-chloro-N-(3,4-dimethylphenyl)-2,1-benzothiazole-3-carboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C3C=C(C=CC3=NS2)Cl)C
Compound: 2-(1,3-diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone
SMILES: C1C(=O)N(C(S1)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CO5
Compound: 5-bromo-N-[3-chloro-2-(1-pyrrolidinyl)phenyl]-2-furancarboxamide
SMILES: C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)Br
Compound: N-[[5-(3-bromophenyl)-2-furanyl]methylideneamino]-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine
SMILES: COC1=CC=CC=C1C2=CN=NC(=N2)NN=CC3=CC=C(O3)C4=CC(=CC=C4)Br
Compound: (R)-2,3,4,5-tetrahydrodipicolinate(2-)
SMILES: [O-]C(=O)[C@H]1CCCC(=N1)C([O-])=O
Compound: N-[[1-[(3-fluorophenyl)methyl]-3-indolyl]methylideneamino]-3,5-dihydroxybenzamide
SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C=NNC(=O)C4=CC(=CC(=C4)O)O
Compound: 2-[5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
SMILES: C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)C=C3C(=O)N(C(=S)S3)CC(=O)O
Compound: 3-hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
SMILES: CC1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O
Compound: 2-[[2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxamide
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N
Compound: 1-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(2,5-dimethylphenyl)thiourea
SMILES: CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)C2=CC=C(O2)Br
Compound: 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one
SMILES: COC1=C(C=C2C=CNC(=O)CC2=C1)OC
Compound: 3-(2-chlorophenyl)-5-methyl-N-[3-(3-methyl-2-imidazo[1,2-a]pyrimidinyl)phenyl]-4-isoxazolecarboxamide
SMILES: CC1=C(N=C2N1C=CC=N2)C3=CC(=CC=C3)NC(=O)C4=C(ON=C4C5=CC=CC=C5Cl)C
Compound: 1-(2-furanylmethyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILES: CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)CC3=CC=CO3
Compound: 6-methoxy-N-(thiophen-2-ylmethyl)-2-furo[2,3-b]quinolinecarboxamide
SMILES: COC1=CC2=CC3=C(N=C2C=C1)OC(=C3)C(=O)NCC4=CC=CS4
Compound: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1H-quinoline-3-carboxaldehyde
SMILES: COC1=C(C=C(C=C1)CCNC2=C(C(=O)NC3=CC=CC=C32)C=O)OC
Compound: 4-[[6-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-4-yl]amino]benzoic acid methyl ester
SMILES: CC1=CC(=NC(=C2C=CC=CC2=O)N1)NC3=CC=C(C=C3)C(=O)OC
Compound: 3-[[[2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
SMILES: CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(SC=C4)C(=O)OC
Compound: 2-amino-6-(2-furanylmethyl)-7-methyl-5-oxo-4-(3-pyridinyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILES: CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CN=CC=C3)C(=O)N1CC4=CC=CO4
Compound: 3-[2-[[3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methylidene]hydrazinyl]benzoic acid
SMILES: CCOC1=C(C=CC(=C1)C=NNC2=CC=CC(=C2)C(=O)O)OCC(=O)N3CCCCC3
Compound: 2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-(3-fluorophenyl)acetamide
SMILES: CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC(=CC=C3)F
Compound: 1-ethyl-3-[(1-oxo-2-phenylethyl)amino]thiourea
SMILES: CCNC(=S)NNC(=O)CC1=CC=CC=C1
Compound: N-(1,3-benzodioxol-5-yl)-2-[[6-methyl-4-oxo-3-(phenylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
SMILES: CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5
Compound: N-[1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILES: CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3OC)NS(=O)(=O)C4=CC=CC=C4
Compound: 4-methyl-N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)C
Compound: 6-[5-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester
SMILES: CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N
Compound: N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2-thiophenecarboxamide
SMILES: C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)O
Compound: 4-hydroxy-3-methoxy-N-[[1-(phenylmethyl)-3-indolyl]methylideneamino]benzamide
SMILES: COC1=C(C=CC(=C1)C(=O)NN=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)O
Compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-[6-(4-morpholinyl)-3-pyridazinyl]-4-piperidinecarboxamide
SMILES: CCOC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4)OCC
Compound: 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide
SMILES: C1=COC(=C1)CNC(=O)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4
Compound: 4-(2-furanyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=S)NC1C2=CC=CO2)C
Compound: 4-[[7-bicyclo[4.1.0]heptanyl(oxo)methyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C3C2CCCC3
Compound: 2-(1-adamantyl)-4-chloro-5-[(4-fluorophenyl)methylamino]-3-pyridazinone
SMILES: C1C2CC3(CC1CC(C3)C2)N4C(=O)C(=C(C=N4)NCC5=CC=C(C=C5)F)Cl
Compound: 2-pyrazinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=NC=CN=C3
Compound: N-[3-(ethoxycarbonylamino)-2,2-dimethylpropyl]carbamic acid ethyl ester
SMILES: CCOC(=O)NCC(C)(C)CNC(=O)OCC
Compound: 4-chloro-N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
SMILES: C1CCC2=NN=C(N2CC1)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)Cl
Compound: 5-(3-nitrophenyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]
Compound: 1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea
SMILES: COC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2F)[N+](=O)[O-]
Compound: LSM-21110
SMILES: CCN1C2=CC=CC3=C2C(=CC=C3)S1(=O)=O
Compound: 6-methyl-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
SMILES: CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CN3CCOCC3
Compound: 1-ethyl-3-(4-methylphenyl)sulfonylthiourea
SMILES: CCNC(=S)NS(=O)(=O)C1=CC=C(C=C1)C
Compound: 3-[2-(5-chloro-2-hydroxyanilino)-1-nitroethenyl]-3H-isobenzofuran-1-one
SMILES: C1=CC=C2C(=C1)C(OC2=O)C(=CNC3=C(C=CC(=C3)Cl)O)[N+](=O)[O-]
Compound: N4-(4-methoxyphenyl)-N5-[(1R)-1-phenylethyl]-1H-imidazole-4,5-dicarboxamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=C(N=CN2)C(=O)NC3=CC=C(C=C3)OC
Compound: 2-(5H-[1,2,4]triazolo[5,1-a]isoindol-2-yl)ethanethioamide
SMILES: C1C2=CC=CC=C2C3=NC(=NN31)CC(=S)N
Compound: 4-bromo-1-methyl-N-(2-thiazolyl)-3-pyrazolecarboxamide
SMILES: CN1C=C(C(=N1)C(=O)NC2=NC=CS2)Br
Compound: 5-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC=C(C=C2)Cl
Compound: 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]-1-oxoethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester
SMILES: CCN(CC(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C(=O)OC)C3=CC4=C(C=C3)OCO4
Compound: N-(2-furanylmethyl)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4
Compound: N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)NC3CC3)C4=CC=CC=C4
Compound: 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester
SMILES: CCOC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCC4(CC3)OCCO4)C(=O)OCC
Compound: 3-fluoro-N-[4-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]benzenesulfonamide
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F
Compound: 4-chloro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(2-oxolanylmethyl)benzenesulfonamide
SMILES: C1CC(OC1)CN(CC2=CC3=CC4=C(C=C3NC2=O)OCCO4)S(=O)(=O)C5=CC=C(C=C5)Cl
Compound: 4-phenoxybutanoic acid [[amino(phenyl)methylidene]amino] ester
SMILES: C1=CC=C(C=C1)C(=NOC(=O)CCCOC2=CC=CC=C2)N
Compound: 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methoxyanilino)-N-(2-methylbutan-2-yl)-2-(1-methyl-2-pyrrolyl)acetamide
SMILES: CCC(C)(C)NC(=O)C(C1=CC=CN1C)N(C2=CC=C(C=C2)OC)C(=O)CN3C4=CC=CC=C4N=N3
Compound: [4-(4-methoxyphenyl)-1-piperazinyl]-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4
Compound: 3-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid
SMILES: CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O
Compound: (R)-2-benzylsuccinyl-CoA
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)Cc1ccccc1
Compound: N-[(4-chlorophenyl)methyl]-4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinamine
SMILES: C1=COC(=C1)C2=CC(=NC(=N2)NCC3=CC=C(C=C3)Cl)C(F)(F)F
Compound: 1-(phenylmethyl)benzimidazole
SMILES: C1=CC=C(C=C1)CN2C=NC3=CC=CC=C32
Compound: LSM-21130
SMILES: C1=CC=C(C=C1)CCCNC2=[NH+]C=NC3=C2NC=N3
Compound: N-[2,5-dimethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide
SMILES: COC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OC)NC(=O)C3=CC=CS3
Compound: 3-(1-methyl-2-benzimidazolyl)-1-phenyl-2-pyrrolo[3,2-b]quinoxalinamine
SMILES: CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6)N
Compound: N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
SMILES: C1=CC(=CC=C1C(=O)NCCO)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Compound: 6-[2-(dimethylamino)ethylamino]-8-(2-furanyl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILES: CC1(CC2=C(C(=NC(=C2CO1)C3=CC=CO3)NCCN(C)C)C#N)C
Compound: 1-(3,4-dimethylphenyl)-5-[[(4-methoxyphenyl)hydrazo]methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CC1=C(C=C(C=C1)N2C(=O)C(=CNNC3=CC=C(C=C3)OC)C(=O)NC2=O)C
Compound: N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-2-thiazolyl]-2-(4-morpholinyl)acetamide
SMILES: CC1=C(N=C(S1)NC(=O)CN2CCOCC2)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C5=CC=CC=C5
Compound: 2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
SMILES: CN1C2=C(C(C(=O)N2)CC(=O)NC3=CC=CC=C3OC)C(=O)N(C1=O)C
Compound: N-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methylideneamino]-1H-indole-3-carboxamide
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=NNC(=O)C5=CNC6=CC=CC=C65
Compound: 2-[(3-bromo-5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzoxazole
SMILES: CC1=CC(=NC2=NC(=C(N12)Br)CSC3=NC4=CC=CC=C4O3)C
Compound: 4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide
SMILES: C1CCC2C(C1)N(C(=C[N+]2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)[O-]
Compound: 3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine
SMILES: C1=CC=C(C=C1)OCCCN2N=C(N=N2)C3=CN=CC=C3
Compound: N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: CCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC(C)(C)C
Compound: 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC=CC=C3
Compound: N-[2,5-diethoxy-4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide
SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CO2)OCC)NC(=S)NCC3=CC=CO3
Compound: 2-(4-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide
SMILES: C1=CC(=CC=C1CC(=O)NN=CC2=CC=NC=C2)Cl
Compound: N-(3,4-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C)C
Compound: 1-benzoyl-N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-2-methyl-1-azaspiro[4.5]dec-3-ene-2-carboxamide
SMILES: CC1(C=CC2(N1C(=O)C3=CC=CC=C3)CCCCC2)C(=O)NCCCNC4=C(C=C(C=N4)C(F)(F)F)Cl
Compound: N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILES: CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=O)CC4=CC=CS4
Compound: LSM-21149
SMILES: C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=CS5
Compound: 1-(2,5-dimethoxyphenyl)sulfonyl-4-ethylpiperazine
SMILES: CCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC
Compound: 2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
Compound: 5-(2-furanyl)cyclohexane-1,3-dione
SMILES: C1C(CC(=O)CC1=O)C2=CC=CO2
Compound: 4-benzoyl-N-(4-methoxyphenyl)-1-piperazinecarbothioamide
SMILES: COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3
Compound: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=CS3)CC4=CC=C(C=C4)F
Compound: 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester
SMILES: CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4
Compound: 6-(butylsulfamoyl)-N-(2,2-dimethoxyethyl)-2-thiophen-2-yl-4-quinolinecarboxamide
SMILES: CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(C=C2C(=O)NCC(OC)OC)C3=CC=CS3
Compound: N-cyclohexyl-3-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide
SMILES: CC1=CC=CC(=C1)C(=O)N(CC2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4
Compound: 2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-(2-methylphenyl)acetamide
SMILES: CC1=CC=CC=C1NC(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=CO4
Compound: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)C(=O)OC
Compound: 3-[[5,6-bis(4-methoxyphenyl)-4-furo[2,3-d]pyrimidinyl]amino]-1-propanol
SMILES: COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCCO)C4=CC=C(C=C4)OC
Compound: 2-[[3-(5-methyl-2-furanyl)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
SMILES: CC1=CC=C(O1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC
Compound: 5-(furan-2-yl)-1-(3-imidazol-1-ylpropyl)-4-[4-[(2-methylphenyl)methoxy]benzoyl]pyrrolidine-2,3-dione
SMILES: CC1=CC=CC=C1COC2=CC=C(C=C2)C(=O)C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=CO5
Compound: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]acetamide
SMILES: CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=NNC(=O)COC3=C(C(=CC(=N3)C)COC)C#N)C
Compound: N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)benzamide
SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(CC3CCCO3)C(=O)C4=CC=CC=C4
Compound: 4-[4-diethoxyphosphoryl-2-(1-naphthalenyl)-5-oxazolyl]morpholine
SMILES: CCOP(=O)(C1=C(OC(=N1)C2=CC=CC3=CC=CC=C32)N4CCOCC4)OCC
Compound: 4-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid
SMILES: CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)O
Compound: 3-acetyl-6-bromo-2-methyl-4-quinolinecarboxylic acid
SMILES: CC1=C(C(=C2C=C(C=CC2=N1)Br)C(=O)O)C(=O)C
Compound: N-(1,7-dimethyl-3-pyrazolo[3,4-b]quinolinyl)butanamide
SMILES: CCCC(=O)NC1=NN(C2=C1C=C3C=CC(=CC3=N2)C)C
Compound: 5-[3-(2-chloro-6-methoxy-3-quinolinyl)-5-(2-furanyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
SMILES: COC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CO4
Compound: 5-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(NN=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl
Compound: 1-(3-methyl-2-thiazolylidene)-3-phenylurea
SMILES: CN1C=CSC1=NC(=O)NC2=CC=CC=C2
Compound: 5-(1-ethyl-3-methyl-4-pyrazolyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid
SMILES: CCN1C=C(C(=N1)C)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)O
Compound: 2,5-dimethyl-4-[[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC(=O)NC(C)CCC3=CC=CC=C3)C)C
Compound: 1-(2-nitrophenyl)sulfonylpiperidine
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
Compound: N3-(2,4-dimethylphenyl)-N1-phenylpyrazole-1,3-dicarboxamide
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)C(=O)NC3=CC=CC=C3)C
Compound: N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-4-piperidinecarboxamide
SMILES: CC1CC(CN(C1)CCCNC(=O)C2CCN(CC2)CC3=C(OC(=N3)C4=CC=CC=C4C)C)C
Compound: LSM-21177
SMILES: COC1=C(C=C(C=C1)C2C3C(=NC4=NC(=NN24)C5=CC(=C(C(=C5)OC)OC)OC)CCCC3=O)OC
Compound: LSM-21178
SMILES: CC(C)CC1=C2CCCCC2=C3C4=C(C(=NC=N4)Cl)OC3=N1
Compound: 2-[[acetamido(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester
SMILES: CCC1=CC(=C(S1)NC(=S)NC(=O)C)C(=O)OCC
Compound: 5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidine-4-thione
SMILES: CC1=C(SC2=C1C(=S)NC=N2)C3=CC=CC=C3
Compound: N-[2-[(2-methylphenyl)methylthio]ethyl]-3-[(4-methylphenyl)thio]propanamide
SMILES: CC1=CC=C(C=C1)SCCC(=O)NCCSCC2=CC=CC=C2C
Compound: 6-chloro-3-[5-(2,5-dimethoxyphenyl)-1-methylsulfonyl-3-pyrazolidinylidene]-4-phenyl-2-quinolinone
SMILES: COC1=CC(=C(C=C1)OC)C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)NN2S(=O)(=O)C
Compound: 2-(4-bromophenyl)-4-methyl-1H-pyrazol-5-one
SMILES: CC1=CN(NC1=O)C2=CC=C(C=C2)Br
Compound: 3-[4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]propanoic acid
SMILES: C=CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)O
Compound: 4-[[(2,3-dihydro-1H-inden-1-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)NC(=S)NC2CCC3=CC=CC=C23
Compound: 2-amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES: C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC=CS3
Compound: 5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CSC3=NN=NN3C
Compound: 6-methyl-5-phenyl-2-(phenylthio)-3-pyridinecarbonitrile
SMILES: CC1=C(C=C(C(=N1)SC2=CC=CC=C2)C#N)C3=CC=CC=C3
Compound: N-(3-chlorophenyl)-2-[[2-(4-chlorophenyl)-6-oxo-1H-1,3,5-triazin-4-yl]thio]acetamide
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NC(=O)NC(=N2)C3=CC=C(C=C3)Cl
Compound: 4-[(4-tert-butylphenyl)-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)NCCC3=CC=CC=N3
Compound: 7-(2-ethyl-1-piperidinyl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILES: CCC1CCCCN1C2=CC(=NC3=CC(=NN32)C4=CC(=CC=C4)C)C
Compound: 2-(2-chlorophenyl)-5-(2-methylpropylamino)-4-oxazolecarbonitrile
SMILES: CC(C)CNC1=C(N=C(O1)C2=CC=CC=C2Cl)C#N
Compound: 5-(2-chlorophenyl)-2-(2-pyridinylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILES: C1=CC=C(C(=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=CC=N4)Cl
Compound: (7-methoxy-2-benzofuranyl)-(4-nitrophenyl)methanone
SMILES: COC1=CC=CC2=C1OC(=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 3-hydroxy-2,2-diphenylpropanoic acid
SMILES: C1=CC=C(C=C1)C(CO)(C2=CC=CC=C2)C(=O)O
Compound: 5-[[4-(4-morpholinylmethyl)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
SMILES: C1COCCN1CC2=CC=C(C=C2)NC=C3C(=O)NC(=O)N(C3=O)CC4=CC=CC=C4
Compound: 2,6-difluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILES: C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=C(C=CC=C4F)F
Compound: 1-(3-ethylphenyl)-3-(1-naphthalenyl)thiourea
SMILES: CCC1=CC(=CC=C1)NC(=S)NC2=CC=CC3=CC=CC=C32
Compound: 1-methyl-3-phenylpyrazino[1,2-a]benzimidazole
SMILES: CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4
Compound: 1-[4-bromo-5-[(4-methylphenyl)thio]-2-furanyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILES: CC1=CC=C(C=C1)SC2=C(C=C(O2)C=NN3C=NN=C3)Br
Compound: 4-[[[1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-3-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C2CCCN(C2)CC3=C(OC(=N3)C4=CC(=CC=C4)Cl)C
Compound: 5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester
SMILES: COC(=O)C1=CC=C(O1)CSC2=NNC(=S)S2
Compound: 1-butyl-2,4-dioxo-7-thiophen-2-yl-5-pyrido[2,3-d]pyrimidinecarboxylic acid ethyl ester
SMILES: CCCCN1C2=C(C(=CC(=N2)C3=CC=CS3)C(=O)OCC)C(=O)NC1=O
Compound: 5-[[4-(diethylamino)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
SMILES: CCN(CC)C1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)CC3=CC=CC=C3
Compound: 2-(2-phenylethyl)-1,3-benzoxazol-5-amine
SMILES: C1=CC=C(C=C1)CCC2=NC3=C(O2)C=CC(=C3)N
Compound: 2-(butan-2-ylamino)-N-[4-[5-[[2-(butan-2-ylamino)-1-oxoethyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
SMILES: CCC(C)NCC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CNC(C)CC
Compound: 3-phenyl-2-propan-2-yl[1]benzopyrano[2,3-d]pyrimidine-4,5-dione
SMILES: CC(C)C1=NC2=C(C(=O)C3=CC=CC=C3O2)C(=O)N1C4=CC=CC=C4
Compound: 4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
SMILES: C1CCC2=C(C3=C(N2CC1)C(=NC=N3)N)C#N
Compound: 2-[2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzoic acid
SMILES: COC1=CC(=NNC2=CC=CC=C2C(=O)O)C=CC1=O
Compound: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolamine
SMILES: C1=CC2=NSN=C2C(=C1)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)Br)N
Compound: 2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCC3=CC=CC=C32
Compound: N-[3-fluoro-4-(4-phenyl-1-piperazinyl)phenyl]-2-(4-morpholinyl)acetamide
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)CN4CCOCC4)F
Compound: 2-chlorobenzoic acid [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] ester
SMILES: COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl
Compound: N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline
SMILES: CC1=C(C=C(C=C1)NP(=O)(OC2=CC=CC=C2F)OC3=CC=CC=C3F)C
Compound: 2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3
Compound: N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILES: C1CN(CCC12OCCO2)C(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F
Compound: 2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CSC3=NC=NN3
Compound: (R)-3-[(R)-3-hydroxybutanoyloxy]butanoate
SMILES: O[C@@H](CC(O[C@@H](CC([O-])=O)C)=O)C
Compound: 2-[[2-(3-methoxyphenoxy)-1-oxoethyl]amino]benzamide
SMILES: COC1=CC(=CC=C1)OCC(=O)NC2=CC=CC=C2C(=O)N
Compound: 3-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylphenyl)-1-piperazinyl]-1-propanone
SMILES: CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3)C
Compound: 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3Cl
Compound: 5-bromo-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-2-thiophenecarboxamide
SMILES: C1=CN=CC=C1C2=NN=C(O2)NC(=O)C3=CC=C(S3)Br
Compound: 2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone
SMILES: CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3O2
Compound: 1-acetyl-5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
SMILES: CC1CC2=CC(=CC(=C2N1C(=O)C)S(=O)(=O)NCC3COC4=CC=CC=C4O3)Br
Compound: 3-[oxo-[4-(2-phenylethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one
SMILES: C1CN(CCN1CCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O
Compound: N,N-bis(2-methoxyethyl)-2-thieno[3,2-b][1]benzothiolecarboxamide
SMILES: COCCN(CCOC)C(=O)C1=CC2=C(S1)C3=CC=CC=C3S2
Compound: 2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide
SMILES: C1=CC(=CC=C1OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl
Compound: 4-[[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]methyl]-2-nitrophenol
SMILES: CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC(=C(C=C2)O)[N+](=O)[O-]
Compound: 2-Formaminobenzoylacetate
SMILES: OC(=O)CC(=O)c1ccccc1NC=O
Compound: (R)-3-(4-hydroxyphenyl)lactate
SMILES: O[C@H](Cc1ccc(O)cc1)C([O-])=O
Compound: 3-methyl-2-[[oxo-(4-pentoxyphenyl)methyl]amino]butanoic acid
SMILES: CCCCCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)O
Compound: 2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone
SMILES: COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4
Compound: 3-[2-[(4-benzoyloxy-3-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
SMILES: CCOC1=C(C=CC(=C1)C=NNC2=CC=CC(=C2)C(=O)O)OC(=O)C3=CC=CC=C3
Compound: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetamide
SMILES: CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
Compound: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]benzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(O2)Br
Compound: 5-[[(2-methylanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid methyl ester
SMILES: CC1=CC=CC=C1NC(=S)NC2=C(C=NN2)C(=O)OC
Compound: 5-[(4-hydroxyphenyl)methylidene]-2-methyl-1-(4-methylphenyl)-4-oxo-3-pyrrolecarboxylic acid methyl ester
SMILES: CC1=CC=C(C=C1)N2C(=C(C(=O)C2=CC3=CC=C(C=C3)O)C(=O)OC)C
Compound: N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(2-phenylethenylsulfonyl)-1-piperazinyl]acetamide
SMILES: C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CO2)S(=O)(=O)C=CC3=CC=CC=C3
Compound: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)CCN3C(=O)C4=CC=CC=C4C3=O
Compound: 1-(3,4-dichlorophenyl)-3-(3,5-dimethylphenyl)thiourea
SMILES: CC1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)Cl)Cl)C
Compound: 4-(methoxymethyl)-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile
SMILES: CC1=NC(=C(C(=C1)COC)C#N)N2CCN(CC2)C3=CC=CC=C3
Compound: 3-[(4-methyl-1-piperazinyl)sulfonyl]-N-(4-phenyl-2-thiazolyl)-N-prop-2-enylbenzamide
SMILES: CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC=C)C3=NC(=CS3)C4=CC=CC=C4
Compound: N-[amino-[2-(1H-indol-3-yl)ethylimino]methyl]-4-chlorobenzamide
SMILES: C1=CC=C2C(=C1)C(=CN2)CCN=C(N)NC(=O)C3=CC=C(C=C3)Cl
Compound: N-(4-carbamoylphenyl)-2-(4-methoxyphenyl)-4-quinolinecarboxamide
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)C(=O)N
Compound: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-prop-2-enyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
SMILES: CC1=C(C(=NO1)C)CSC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2CC=C
Compound: 3-(2-chloro-8-methyl-3-quinolinyl)-1-(2-furanyl)-2-propen-1-one
SMILES: CC1=CC=CC2=CC(=C(N=C12)Cl)C=CC(=O)C3=CC=CO3
Compound: 7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILES: COC1=CC=C(C=C1)CN2C(C3=C(C2=O)C=CC=N3)NC4=C(C=CC(=C4)Cl)OC
Compound: 2-thiophenecarboxylic acid [3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
SMILES: CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C
Compound: 3,4-dichloro-N-(2-pyridinylmethylideneamino)benzamide
SMILES: C1=CC=NC(=C1)C=NNC(=O)C2=CC(=C(C=C2)Cl)Cl
Compound: 4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine
SMILES: CC1=CC(=NC(=N1)N2CCOCC2)N3CCN(CC3)C
Compound: 7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC3=C(C=C2N1)OCO3)NC(=O)CN4CCC5=CC=CC=C5C4
Compound: acetic acid [2-[acetyl-(4-methylphenyl)sulfonylamino]phenyl] ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2OC(=O)C)C(=O)C
Compound: 3H-benzo[e]indole-2-carboxylic acid
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(N3)C(=O)O
Compound: 4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
SMILES: C1CCC2=C(C1)N3C(=O)C(=CN=C3S2)NC(=O)C4=CC=C(C=C4)F
Compound: N-(3,4-difluorophenyl)-2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-ethoxyanilino]acetamide
SMILES: CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)F)F)S(=O)(=O)C3=C(ON=C3C)C
Compound: [4-(butan-2-ylamino)-6-chloro-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
SMILES: CCC(C)NC1=NC(=NC(=N1)Cl)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N
Compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)-1-(3-pyridinylmethyl)thiourea
SMILES: CC1=C(C2=C(N1)C=CC(=C2)F)CCN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)F
Compound: 4-amino-2-(butylthio)-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCCCSC1=NC=C(C(=N1)N)C(=O)OCC
Compound: 4-[5-(2-methyl-3-phenylprop-2-enylidene)-2,4-dioxo-3-thiazolidinyl]butanoic acid
SMILES: CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=O)S2)CCCC(=O)O
Compound: N'-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1H-indole-3-carbohydrazide
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)NNC=C3C=C(C=CC3=O)[N+](=O)[O-]
Compound: (R)-3-hydroxybutyrate
SMILES: C[C@@H](O)CC([O-])=O
Compound: N-[4-methyl-5-[2-(3-nitroanilino)-4-thiazolyl]-2-thiazolyl]acetamide
SMILES: CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC(=CC=C3)[N+](=O)[O-]
Compound: 1-(3-chlorophenyl)sulfonylpyrrolidine
SMILES: C1CCN(C1)S(=O)(=O)C2=CC(=CC=C2)Cl
Compound: 2-[2-(4-fluorophenyl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILES: C1=CSC(=C1)C2=NN=C(O2)C=CC3=CC=C(C=C3)F
Compound: 2-(1-naphthalenyl)acetic acid [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester
SMILES: CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)CC2=CC=CC3=CC=CC=C32)Cl
Compound: N-[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-1-adamantanecarboxamide
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC(=O)C34CC5CC(C3)CC(C5)C4
Compound: 3-methyl-6-prop-2-enoxy-[1,2,4]triazolo[4,3-b]pyridazine
SMILES: CC1=NN=C2N1N=C(C=C2)OCC=C
Compound: N-[[4-(2,3-dichloroanilino)-4-oxobutan-2-ylidene]amino]-2-methylbenzamide
SMILES: CC1=CC=CC=C1C(=O)NN=C(C)CC(=O)NC2=C(C(=CC=C2)Cl)Cl
Compound: 2-(4-morpholinyl)-N-(2-phenylphenyl)propanamide
SMILES: CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCOCC3
Compound: N,8-dimethyl-N-(3-methylphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILES: CC1=CC(=CC=C1)N(C)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)NC3=O
Compound: N-[(4-sulfamoylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N
Compound: N-(2,4-dimethoxyphenyl)-3-(4-morpholinyl)propanamide
SMILES: COC1=CC(=C(C=C1)NC(=O)CCN2CCOCC2)OC
Compound: 4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC(C3=CC=CS3)N(C)C)C
Compound: 2-amino-4-[(4-bromophenyl)methylthio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
SMILES: C1CCC2(CC1)C(=C(NC(=C2C#N)SCC3=CC=C(C=C3)Br)N)C#N
Compound: N-(4-acetylphenyl)-5-[(phenylthio)methyl]-2-furancarboxamide
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CSC3=CC=CC=C3
Compound: 4-[4-[2-(2,4-dioxo-1H-quinolin-3-ylidene)hydrazinyl]-2-methylphenyl]azo-N,N-dimethylbenzamide
SMILES: CC1=C(C=CC(=C1)NN=C2C(=O)C3=CC=CC=C3NC2=O)N=NC4=CC=C(C=C4)C(=O)N(C)C
Compound: 4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoic acid methyl ester
SMILES: COC(=O)CCC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)N
Compound: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-1-(2,2,4,6-tetramethyl-1-quinolinyl)ethanone
SMILES: CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4
Compound: 3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[2-(2-methyl-1-piperidinyl)ethyl]propanamide
SMILES: CC1CCCCN1CCNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C
Compound: 1-piperidinyl-(5-thiophen-2-yl-3-isoxazolyl)methanone
SMILES: C1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC=CS3
Compound: 2-(3-methyl-1-oxo-2-isoquinolinyl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILES: CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC
Compound: 2-(methylaminomethylidene)-1-benzothiophen-3-one
SMILES: CNC=C1C(=O)C2=CC=CC=C2S1
Compound: 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]-N-(4-methyl-2-thiazolyl)acetamide
SMILES: CC1=CSC(=N1)NC(=O)CSC2=NN=C(O2)CC3=CC=C(C=C3)OC
Compound: 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4CC=CCC4C3=O
Compound: 1-(6-hydroxy-3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl)ethanone
SMILES: CC1=C2C(C(C(CC2=NO1)(C)O)C(=O)C)C3=CC=CC=C3
Compound: N-(3-indolylidenemethylamino)carbamodithioic acid methyl ester
SMILES: CSC(=S)NNC=C1C=NC2=CC=CC=C21
Compound: 2-(1,3-benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
SMILES: C1CCC2(C1)C3=C(CCCC3=O)NC(=N2)NC4=NC5=CC=CC=C5S4
Compound: 2-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one
SMILES: CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)CCOC)C
Compound: 2-chloro-3-[2-(4-methylphenyl)-5-tetrazolyl]pyridine
SMILES: CC1=CC=C(C=C1)N2N=C(N=N2)C3=C(N=CC=C3)Cl
Compound: 1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine
SMILES: CCCOC1CCCN(C1)CC2=CN(N=C2C3=CC=CC=C3F)C
Compound: 2-(3-bromophenyl)-N-(4,5-dihydrothiazol-2-yl)-4-quinolinecarboxamide
SMILES: C1CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br
Compound: (R)-4'-phosphonatopantothenate(3-)
SMILES: CC(C)(COP([O-])([O-])=O)[C@@H](O)C(=O)NCCC([O-])=O
Compound: 1-[[(4R,5S)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
SMILES: CCCNC(=O)N(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC=C3F)[C@@H](C)CO)C
Compound: (2R)-2-[(4S,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=NC=C3)O[C@H]1CNC)[C@H](C)CO
Compound: (2S)-2-[(4S,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=NC=C3)O[C@H]1CNC)[C@@H](C)CO
Compound: N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC(C)C)O[C@@H]1CN(C)C(=O)CC3=CN=CC=C3)[C@H](C)CO
Compound: 4-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)O[C@H]1CN(C)CC4=CC=CC=N4)[C@H](C)CO
Compound: (2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-[[methyl(4-oxanylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CN(C)CC4CCOCC4)[C@H](C)CO
Compound: (2R,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC(=CC=C3)OC)O[C@H]1CN(C)CC4CCCC4)[C@H](C)CO
Compound: N-[[(4S,5R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3(CCCC3)O)O[C@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@H](C)CO
Compound: N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CN=CN=C3)O[C@H]1CN(C)C(=O)C4CCCCC4)[C@@H](C)CO
Compound: N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC(C)C)O[C@H]1CN(C)C(=O)CC3=CN=CC=C3)[C@@H](C)CO
Compound: 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CN=CN=C3)O[C@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO
Compound: N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CN=CN=C3)O[C@H]1CN(C)C(=O)C4CCCCC4)[C@@H](C)CO