MonarchInit/C3PO huggingface dataset:
Compound: N-[(4S,7S,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3OC)C
Compound: 1-(3-fluorophenyl)-3-[(5R,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C
Compound: 1-(4-methoxyphenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C
Compound: N-[(4R,7R,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3
Compound: N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@H]1C)C)OC)C
Compound: N-[(5R,6R,9S)-8-[(2-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=CC=CC=C3F)C)OC)C
Compound: 1-(4-chlorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@@H]1OC)C)C)C
Compound: 1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
SMILES: C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CCC(F)(F)F)C)OC)C
Compound: 1-(3-fluorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C
Compound: N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(pyridin-4-yl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)C(=O)C3=CC=NC=C3)C)OC)C
Compound: N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
SMILES: CCC(=O)N1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCCCC3)OC[C@H]1C)C)OC)C
Compound: N-[(4R,7S,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C)C
Compound: N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CC=NC=C5
Compound: N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C
Compound: N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C
Compound: N-[(5R,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C)C)OC)C
Compound: 2-methoxy-N-[(4S,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC
Compound: N-[(5S,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)C(=O)C)C)OC)C
Compound: N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C)OC[C@@H]1C)C)OC)C
Compound: 4-methoxy-N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C
Compound: N-[(5S,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)C
Compound: N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C
Compound: 2-methoxy-N-[(4R,7R,8R)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC
Compound: N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=CC=C3OC)C
Compound: N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C
Compound: 1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C
Compound: 1-[(5S,6R,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C(=O)C
Compound: 2,2,2-trifluoro-N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)C
Compound: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CCC)C
Compound: 1-(3,4-dichlorophenyl)-3-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CCC(F)(F)F)C)OC)C
Compound: N-[[5-(4-methyl-3-nitrophenyl)-2-furanyl]methylideneamino]-2-(4-morpholinyl)acetamide
SMILES: CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)CN3CCOCC3)[N+](=O)[O-]
Compound: 5-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione
SMILES: C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC(=CC=C3)[N+](=O)[O-]
Compound: 3-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholinyl)propyl]urea
SMILES: CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)C(=O)NC4CCCCC4)C
Compound: 4-(2-imidazo[1,2-a]pyridinylmethoxy)benzaldehyde
SMILES: C1=CC2=NC(=CN2C=C1)COC3=CC=C(C=C3)C=O
Compound: 4-(3-chlorobenzoyl)-1-methyl-pyrrole-2-carbaldehyde oxime
SMILES: CN1C=C(C=C1C=NO)C(=O)C2=CC=CC(=C2)Cl
Compound: N,6-dimethyl-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILES: CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CN(CC4)C)C(=O)NC
Compound: 4-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methylidene]-2-(2-furanylmethyl)-7-methoxyisoquinoline-1,3-dione
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C3C4=C(C=C(C=C4)OC)C(=O)N(C3=O)CC5=CC=CO5
Compound: 3-[4-[2-(2-fluorophenyl)ethylamino]-3-nitrophenyl]-3-[[2-(1-naphthalenyl)-1-oxoethyl]amino]propanamide
SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(CC(=O)N)C3=CC(=C(C=C3)NCCC4=CC=CC=C4F)[N+](=O)[O-]
Compound: 5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
SMILES: C1=CC(=CC=C1CCNC(=O)C2=CC=C(S2)Br)Cl
Compound: 1-[4-[(2-methyl-4-quinolinyl)amino]phenyl]ethanone
SMILES: CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)C(=O)C
Compound: N-(3-methylphenyl)-2-[4-[(5-methyl-2-thiophenyl)methylidene]-2,5-dioxo-1-imidazolidinyl]acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CN2C(=O)C(=CC3=CC=C(S3)C)NC2=O
Compound: 3-[[(4-methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
SMILES: COC1=CC=C(C=C1)C(=O)NC2=C(SC=C2)C(=O)OC
Compound: 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one
SMILES: CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCC4(CC3)OCCO4)OCC
Compound: 3-[[4-(1-benzotriazolyl)-1-piperidinyl]sulfonyl]-N-cyclopentylbenzenesulfonamide
SMILES: C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N3CCC(CC3)N4C5=CC=CC=C5N=N4
Compound: N-[(3-methoxyphenyl)methyl]-1-propyl-5-benzimidazolamine
SMILES: CCCN1C=NC2=C1C=CC(=C2)NCC3=CC(=CC=C3)OC
Compound: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(9,10-dioxo-2-anthracenyl)acetamide
SMILES: C1CCC(CC1)NC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O
Compound: N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILES: C1CC2=C(C1)C=C(C=C2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]
Compound: 5-[(3,4-dimethoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILES: COC1=C(C=C(C=C1)CC2C(=O)NC(=O)N(C2=O)CC=C)OC
Compound: 2-(2,6-dimethylphenoxy)-N-[(1-methyl-2-pyrrolyl)methylideneamino]acetamide
SMILES: CC1=C(C(=CC=C1)C)OCC(=O)NN=CC2=CC=CN2C
Compound: 3-[(1-cyclopentyl-5-tetrazolyl)-[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-7-methyl-1H-quinolin-2-one
SMILES: CC1=CC2=C(C=C1)C=C(C(=O)N2)C(C3=NN=NN3C4CCCC4)N5CCN(CC5)C6=CC=CC=C6OC
Compound: 2-chloro-5-methyl-1-oxo-3-phenyl-4-pyrido[1,2-a]benzimidazolecarbonitrile
SMILES: CN1C2=CC=CC=C2N3C1=C(C(=C(C3=O)Cl)C4=CC=CC=C4)C#N
Compound: N-(4-ethylphenyl)-3-(1-pyrrolyl)propanamide
SMILES: CCC1=CC=C(C=C1)NC(=O)CCN2C=CC=C2
Compound: 2-(hydroxymethyl)-N-(phenylmethyl)benzamide
SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2CO
Compound: 1-(3,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea
SMILES: CC1=C(C(=NN1C)C)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
Compound: 4-(4-acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester
SMILES: CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl
Compound: 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile
SMILES: COC1=CC=CC=C1NC(C#N)C2=CC=CC=C2OCC3=CC=CC=C3
Compound: 1-[4-cyano-2-(2-furanyl)-5-oxazolyl]-4-piperidinecarboxamide
SMILES: C1CN(CCC1C(=O)N)C2=C(N=C(O2)C3=CC=CO3)C#N
Compound: 2-[2-[2-(3-fluorophenyl)-4-thiazolyl]ethyl]isoindole-1,3-dione
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CSC(=N3)C4=CC(=CC=C4)F
Compound: N,N-dimethyl-3-[(4-methylphenyl)thio]propanamide
SMILES: CC1=CC=C(C=C1)SCCC(=O)N(C)C
Compound: N-cycloheptyl-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide
SMILES: C1CCCC(CC1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
Compound: N-(2-furanylmethyl)-2-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-2-oxoacetamide
SMILES: COC1=CC=CC(=CNNC(=O)C(=O)NCC2=CC=CO2)C1=O
Compound: N-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3C(F)(F)F
Compound: 4-(2,6-dimethylphenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
SMILES: CC1=C(C(=CC=C1)C)OC2=NC(=NC=C2OC)C3=CC=CC=N3
Compound: 2-[[2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester
SMILES: CC(C)CC(C(=O)OC)NC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N
Compound: 1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
SMILES: C1CCC(CC1)NC(=O)NC2=NC3=CC=CC=C3N2
Compound: N-(6-methoxy-3-pyridinyl)-3-methyl-2-thiophenecarboxamide
SMILES: CC1=C(SC=C1)C(=O)NC2=CN=C(C=C2)OC
Compound: (4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone
SMILES: CC1=C(C2=C(O1)C=C(C(=C2[N+](=O)[O-])O)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl
Compound: N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
SMILES: CCC(=O)NNC1=NC2=C(S1)C=CC(=C2C)C
Compound: N-(2-methoxyphenyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
SMILES: CC1=CC=CC=C1CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC=CC=C4OC)C
Compound: N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide
SMILES: CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCCC3=CC=C(C=C3)Cl
Compound: N-(1-naphthalenyl)-4-(phenylmethyl)-1-piperazinecarboxamide
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)NC3=CC=CC4=CC=CC=C43
Compound: 2-(2-methoxyethylthio)-N-(2-thiazolyl)benzamide
SMILES: COCCSC1=CC=CC=C1C(=O)NC2=NC=CS2
Compound: 3-[(1-phenyl-5-tetrazolyl)thio]-2-oxolanone
SMILES: C1COC(=O)C1SC2=NN=NN2C3=CC=CC=C3
Compound: 2-[(1-amino-1-oxopropan-2-yl)thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester
SMILES: CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)N
Compound: 2-methoxy-3-methyl-N-[4-(4-morpholinylmethyl)phenyl]benzamide
SMILES: CC1=CC=CC(=C1OC)C(=O)NC2=CC=C(C=C2)CN3CCOCC3
Compound: 5-methyl-2-(2-phenylethylamino)-4-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=N1)NCCC2=CC=CC=C2)C
Compound: 4-(6-fluoro-3-methyl-4-oxo-1-benzopyran-2-yl)-2-methyl-1-phthalazinone
SMILES: CC1=C(OC2=C(C1=O)C=C(C=C2)F)C3=NN(C(=O)C4=CC=CC=C43)C
Compound: 1-(3,3-dimethylbutan-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
SMILES: CC(C(C)(C)C)NC(=S)NC1=CC=CC(=C1)C(F)(F)F
Compound: 2-nitrobenzoic acid [1,1,1,3,3,3-hexafluoro-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)OC(=O)C3=CC=CC=C3[N+](=O)[O-]
Compound: 4-[[4-[[[(2-methoxyethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid methyl ester
SMILES: COCCNC(=S)NN=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC
Compound: N-[1-(1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]-3,4-dimethoxybenzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CS2)C3=NC4=CC=CC=C4N3)OC
Compound: N-(4-hydroxy-3,5-dimethylphenyl)-2,5-dimethyl-3-thiophenesulfonamide
SMILES: CC1=CC(=CC(=C1O)C)NS(=O)(=O)C2=C(SC(=C2)C)C
Compound: 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea
SMILES: CC1=CC2=C(C=C1C)N=C(N2)CCN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4OC
Compound: 5-bromo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-2-furancarboxamide
SMILES: C1=CC2=C(C=C1S(=O)(=O)N)SC(=N2)NC(=O)C3=CC=C(O3)Br
Compound: 5-thiophen-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILES: C1=CSC(=C1)C2=NC3=NC=NN3C(=C2)C(F)(F)F
Compound: N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[(3-ethyl-5,8-dimethyl-2-quinolinyl)thio]acetamide
SMILES: CCC1=CC2=C(C=CC(=C2N=C1SCC(=O)NC3=CNC(=O)NC3=O)C)C
Compound: 3-(2,2-dimethoxyethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
SMILES: COC(CC1=NNC(=S)N1C2=CC=CC=C2)OC
Compound: 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamide
SMILES: CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]
Compound: (5-bromo-2-thiophenyl)-[4-(3-phenylprop-2-enyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC=C(S3)Br
Compound: 2-[5-amino-1-(2-methoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one
SMILES: COC1=CC=CC=C1N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3
Compound: 6-hydroxy-7-(3-phenylprop-2-enyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-8-one
SMILES: C1CN2C(=C(C(=O)N=C2SC1)CC=CC3=CC=CC=C3)O
Compound: 5-(4-morpholinylsulfonyl)-2-(1-piperidinyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester
SMILES: CC(C)CCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3
Compound: 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone
SMILES: CC(=O)N1C2(CCCCCC2)OC(=N1)C3=CC=NC=C3
Compound: N-[[2-(1-piperidinyl)-4-thiophen-2-yl-5-thiazolyl]methylideneamino]cyclopropanecarboxamide
SMILES: C1CCN(CC1)C2=NC(=C(S2)C=NNC(=O)C3CC3)C4=CC=CS4
Compound: 2-cyano-N-(2-methoxyphenyl)-3-[5-nitro-2-(1-pyrrolidinyl)phenyl]-2-propenamide
SMILES: COC1=CC=CC=C1NC(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C#N
Compound: N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILES: CC1=NC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]
Compound: LSM-27595
SMILES: COC1=CC=CC(=C1)C(=O)CC=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3
Compound: 2-methylbut-2-enoyl-coenzyme A
SMILES: CC=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
Compound: 4-amino-N-(2-oxolanylmethyl)-3-prop-2-enyl-2-sulfanylidene-5-thiazolecarboxamide
SMILES: C=CCN1C(=C(SC1=S)C(=O)NCC2CCCO2)N
Compound: 4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-methyl-1-phthalazinone
SMILES: CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC=CC=C4C3
Compound: 5-oxo-2-pyrrolidinecarboxylic acid [2-[3-(4-methoxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester
SMILES: COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3CCC(=O)N3)C4=CC5=CC=CC=C5C=C4
Compound: N-[2-[2,3-dihydroindol-1-yl(oxo)methyl]phenyl]acetamide
SMILES: CC(=O)NC1=CC=CC=C1C(=O)N2CCC3=CC=CC=C32
Compound: 8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline
SMILES: CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3
Compound: N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methyl-4-pyridinecarboxamide
SMILES: CN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)C3=CC=NC=C3
Compound: N-(2-furanylmethyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
SMILES: CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=CC=CO3
Compound: N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine
SMILES: CCCCN(C1=NC(=NC2=CC=CC=C21)C3=CC=NC=C3)CCCC
Compound: 2-(2-nitrophenyl)acetic acid [[amino(3-pyridinyl)methylidene]amino] ester
SMILES: C1=CC=C(C(=C1)CC(=O)ON=C(C2=CN=CC=C2)N)[N+](=O)[O-]
Compound: N-[2-(2-ethyl-5-tetrazolyl)phenyl]-4-(1-tetrazolyl)benzamide
SMILES: CCN1N=C(N=N1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)N4C=NN=N4
Compound: 3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
SMILES: C1CC1NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3
Compound: N'-[(2-chlorophenyl)-oxomethyl]-1-ethyl-4-hydroxy-2-oxo-3-quinolinecarbohydrazide
SMILES: CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNC(=O)C3=CC=CC=C3Cl)O
Compound: 3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid
SMILES: CC1=CC(=C(O1)C)C(=O)NC2=CC=CC(=C2)C(=O)O
Compound: 2-[2-furanyl(oxo)methyl]imino-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=NC(=O)C4=CC=CO4)C(C)C
Compound: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
SMILES: CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C)[N+](=O)[O-]
Compound: 2-[[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-1,3,4-oxadiazole
SMILES: COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NN=C(O3)C4=CC=CC=C4)C5=CC=CC=C5
Compound: 4-[2-[3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide
SMILES: C1=CC=C(C(=C1)C=CC=NNC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
Compound: 2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxylic acid
SMILES: CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)O
Compound: N-(2-carbamoylphenyl)-4-ethyl-5-methyl-3-thiophenecarboxamide
SMILES: CCC1=C(SC=C1C(=O)NC2=CC=CC=C2C(=O)N)C
Compound: N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: CC(C(=O)NNC(=S)NC(=O)C1=CC=CO1)OC2=CC3=CC=CC=C3C=C2
Compound: 1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide
SMILES: CC1=CC=CC=C1C2=NC(=C(O2)C)CN3CCC(CC3)C(=O)NCC4=CN=CC=C4
Compound: 1-phenyl-2-[2-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-1-benzimidazolyl]ethanone
SMILES: C1CN(CCN1CC=CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3CC(=O)C5=CC=CC=C5
Compound: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-morpholinyl)-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C(N=C1N2CCOCC2)N3C(=CC(=N3)C)C
Compound: 2-ethyl-4-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester
SMILES: CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=C(C4=CC=CC=C4O3)C)C(=O)OCC
Compound: 8-(1H-indol-3-ylmethylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione
SMILES: C1CCC2(C1)OC(=O)C(=CC3=CNC4=CC=CC=C43)C(=O)O2
Compound: 4-[[diethylamino(oxo)methyl]amino]benzoic acid ethyl ester
SMILES: CCN(CC)C(=O)NC1=CC=C(C=C1)C(=O)OCC
Compound: 2,6-dichloro-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
SMILES: CC1=C(C(=O)N2N1C(=C(C2=O)Cl)C)Cl
Compound: 2,4-dimethyl-3-nitroso-1H-1,5-benzodiazepine
SMILES: CC1=C(C(=NC2=CC=CC=C2N1)C)N=O
Compound: 2-(1,3-benzoxazol-2-ylthio)propanoic acid
SMILES: CC(C(=O)O)SC1=NC2=CC=CC=C2O1
Compound: 4-(3-hydroxyphenyl)-1-(thiophen-2-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)O)C(=O)OC)CC3=CC=CS3
Compound: 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]morpholine
SMILES: COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)C(F)(F)F
Compound: N-(2-methoxyphenyl)-6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILES: CC1=C(C(NC(=O)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=CC=CC=C3OC
Compound: 4-phenacyloxybenzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)OCC(=O)C2=CC=CC=C2
Compound: (1-methylsulfonyl-4-piperidinyl)-(4-morpholinyl)methanone
SMILES: CS(=O)(=O)N1CCC(CC1)C(=O)N2CCOCC2
Compound: 5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
SMILES: C1=CC=C(C=C1)CCC2=NN=C(S2)N
Compound: 2-(4-bromophenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester
SMILES: C1COC(=O)C1OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br
Compound: 1-(1,3-benzothiazol-2-yl)-3-phenylurea
SMILES: C1=CC=C(C=C1)NC(=O)NC2=NC3=CC=CC=C3S2
Compound: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide
SMILES: CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C(C)(C)C
Compound: 3-(1,3-benzodioxol-5-yl)-1-(5-methyl-2-furanyl)-2-propen-1-one
SMILES: CC1=CC=C(O1)C(=O)C=CC2=CC3=C(C=C2)OCO3
Compound: 5-(4-methylphenyl)-2H-tetrazole
SMILES: CC1=CC=C(C=C1)C2=NNN=N2
Compound: 3-methyl-6-(1-naphthalenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: CC1=NN=C2N1N=C(S2)C3=CC=CC4=CC=CC=C43
Compound: N-(1-adamantylmethyl)-2-ethyl-3-methoxy-6-indazolecarboxamide
SMILES: CCN1C(=C2C=CC(=CC2=N1)C(=O)NCC34CC5CC(C3)CC(C5)C4)OC
Compound: N-methyl-N-[5-(5-methyl-2-pyrazinyl)-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide
SMILES: CC1=NC=C(N=C1)C2=NN=C(S2)N(C)C(=O)C3CCCO3
Compound: N-(4-cyano-2-methyl-3-pyrazolyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide
SMILES: CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=C(C=NN3C)C#N
Compound: 7'-amino-1',3'-dimethyl-2,2',4'-trioxo-6'-spiro[1H-indole-3,5'-pyrano[2,3-d]pyrimidine]carbonitrile
SMILES: CN1C2=C(C(=O)N(C1=O)C)C3(C4=CC=CC=C4NC3=O)C(=C(O2)N)C#N
Compound: [[2-[5-(2-chlorophenyl)-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]thiourea
SMILES: C1C(C2COC(C1=NNC(=S)N)O2)N3C(=NN=N3)C4=CC=CC=C4Cl
Compound: 5-[(2-phenyl-5-pyrimidinyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
SMILES: CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CN=C(N=C3)C4=CC=CC=C4)C(=O)NC2=O
Compound: 6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILES: COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3CCCO3)OC
Compound: N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-1-isoquinolinecarboxamide
SMILES: C1=CC=C2C(=C1)C=CN=C2C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CO4
Compound: 7-[oxo-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-prop-2-enyl-1H-quinazoline-2,4-dione
SMILES: C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(=CC3)C4=CC=CC=C4)NC1=O
Compound: N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3
Compound: 1-cyclopropyl-3-(4-sulfamoylphenyl)thiourea
SMILES: C1CC1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N
Compound: 4-methyl-N-[3-(4-morpholinyl)propyl]-3-(2-oxo-1-pyrrolidinyl)benzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NCCCN2CCOCC2)N3CCCC3=O
Compound: 4-(5-amino-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILES: C1(=NON=C1N)C2=NOC(=N2)N
Compound: N-[4-(4-acetyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4
Compound: 1-[2-[(3-chloro-4-methoxyphenyl)methylthio]ethyl]-3-phenylthiourea
SMILES: COC1=C(C=C(C=C1)CSCCNC(=S)NC2=CC=CC=C2)Cl
Compound: N-[(4-fluorophenyl)methylideneamino]-2,6-dimethyl-4-quinolinamine
SMILES: CC1=CC2=C(C=C1)N=C(C=C2NN=CC3=CC=C(C=C3)F)C
Compound: N-[(3,5-dimethyl-4-isoxazolyl)methylideneamino]-2-quinolinamine
SMILES: CC1=C(C(=NO1)C)C=NNC2=NC3=CC=CC=C3C=C2
Compound: N-[(4-tert-butylphenyl)methylideneamino]-2-pyridinecarboxamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=N2
Compound: N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILES: COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2
Compound: 2-hydroxyhepta-2,4-dienedioic acid
SMILES: OC(=O)C\C=C\C=C(/O)C(O)=O
Compound: 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILES: C1=C(C2=C(NNC2=O)N=C1C(F)(F)F)C(F)(F)F
Compound: 2-methyl-N-[(5-nitro-2-furanyl)methylideneamino]-3-imidazo[1,2-a]pyridinecarboxamide
SMILES: CC1=C(N2C=CC=CC2=N1)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-]
Compound: 7-[(3,5-dimethyl-4-isoxazolyl)methoxy]-1-benzopyran-2-one
SMILES: CC1=C(C(=NO1)C)COC2=CC3=C(C=C2)C=CC(=O)O3
Compound: 2-furancarboxylic acid [4-[(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester
SMILES: CN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3)SC1=S
Compound: 2-(4-chlorophenyl)sulfonylquinoxaline
SMILES: C1=CC=C2C(=C1)N=CC(=N2)S(=O)(=O)C3=CC=C(C=C3)Cl
Compound: 2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide
SMILES: C1CCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=CC=C4
Compound: N-[(2-adamantylamino)-sulfanylidenemethyl]hexanamide
SMILES: CCCCCC(=O)NC(=S)NC1C2CC3CC1CC(C2)C3
Compound: N-[(3-methyl-2-thiophenyl)methylideneamino]-2-thiophenecarboxamide
SMILES: CC1=C(SC=C1)C=NNC(=O)C2=CC=CS2
Compound: 2-(4-chlorophenyl)sulfonyl-2-(phenylhydrazinylidene)acetohydrazide
SMILES: C1=CC=C(C=C1)NN=C(C(=O)NN)S(=O)(=O)C2=CC=C(C=C2)Cl
Compound: 3-[[3-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxopropyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester
SMILES: COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)C4=CC(=CC=C4)Cl
Compound: 5-imino-6-[[1-(2-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SMILES: CC1=CC(=C(N1C2=CC=CC=C2OC)C)C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C
Compound: N-(4-phenylmethoxyphenyl)carbamic acid methyl ester
SMILES: COC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2
Compound: 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)CN2C3=C(CCC3)C(=CC2=O)C4=CC=CC=C4Cl
Compound: N-[2-(1-cyclohexenyl)ethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide
SMILES: C1CCC(=CC1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O
Compound: N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-isoindolylidene]-2-thiophenecarboxamide
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC(=O)C4=CC=CS4)C5=CC=CC=C53
Compound: 3-(4-benzoyl-1-piperazinyl)-1-(2-methylpropyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILES: CC(C)CC1=C2CCCC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N
Compound: N-(3-oxo-2-benzo[f][1]benzopyranyl)acetamide
SMILES: CC(=O)NC1=CC2=C(C=CC3=CC=CC=C32)OC1=O
Compound: 5,6-dimethyl-N-[2-methyl-2-(4-morpholinyl)propyl]-4-thieno[2,3-d]pyrimidinamine
SMILES: CC1=C(SC2=NC=NC(=C12)NCC(C)(C)N3CCOCC3)C
Compound: 2-[[3-[2-(diethylamino)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(phenylmethyl)acetamide
SMILES: CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NCC4=CC=CC=C4
Compound: 5-methyl-N-(3-pyridinyl)-3-isoxazolecarboxamide
SMILES: CC1=CC(=NO1)C(=O)NC2=CN=CC=C2
Compound: 2-(4-chlorophenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamide
SMILES: C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)CC3=CC=C(C=C3)Cl
Compound: 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
SMILES: CC1=NC(=C(NC(C1)C2=C(C=CC=C2Cl)F)C#N)C#N
Compound: 3-hydroxy-1-adamantanecarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
SMILES: CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C23CC4CC(C2)(CC(C4)C3)O
Compound: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=NC=C(C=C3)Cl
Compound: 2-methoxy-1-(1-methyl-2-benzimidazolyl)-1-phenylethanamine
SMILES: CN1C2=CC=CC=C2N=C1C(COC)(C3=CC=CC=C3)N
Compound: nomifensine
SMILES: CN1CC(c2ccccc2)c2cccc(N)c2C1
Compound: 6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one
SMILES: C1(C(C(=NC(N1)=O)N)N)C2N3C(NC3=C2)=O
Compound: acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester
SMILES: CC(=O)OC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O
Compound: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethylphenyl)-3-hydroxy-5-nitro-4-triazolimine
SMILES: CCC1=CC(=CC=C1)N=C2C(=NN(N2O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]
Compound: 7-chloro-N-(phenylmethyl)-4-quinolinamine
SMILES: C1=CC=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2)Cl
Compound: 3-[[cyclopropyl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester
SMILES: COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3CC3
Compound: N-[2-(4-fluoroanilino)-2-oxoethyl]-2-furancarboxamide
SMILES: C1=COC(=C1)C(=O)NCC(=O)NC2=CC=C(C=C2)F
Compound: 4-methyl-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide
SMILES: CCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C
Compound: 3-methyl-4-(7-methyl-2-indolizinyl)-1,2,5-oxadiazole
SMILES: CC1=CC2=CC(=CN2C=C1)C3=NON=C3C
Compound: 3-(4-oxo-3-quinazolinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILES: C1CCC2=C(C1)N=C(S2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O
Compound: 1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethyl]-1,2,4-triazole
SMILES: C1=CC(=CC(=C1)OCCOCCN2C=NC=N2)C(F)(F)F
Compound: 2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-6-phenylthiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILES: CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4)S2)OC
Compound: 3-(3-bromoanilino)-2-oxo-1H-indole-3-carbonitrile
SMILES: C1=CC=C2C(=C1)C(C(=O)N2)(C#N)NC3=CC(=CC=C3)Br
Compound: N-(4-methylcyclohexyl)-1-(2-pyrazinyl)-4-piperidinecarboxamide
SMILES: CC1CCC(CC1)NC(=O)C2CCN(CC2)C3=NC=CN=C3
Compound: (2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC#C)C2CC2)CCCO
Compound: 2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-pyridinyl)-1,4,6,8-tetrahydroquinazolin-5-one
SMILES: CC1(CC2=C(C(N=C(N2)NC3=NC4=CC=CC=C4O3)C5=CC=CC=N5)C(=O)C1)C
Compound: 6-amino-5-(benzenesulfonyl)-2-methoxy-3-pyridinecarbonitrile
SMILES: COC1=NC(=C(C=C1C#N)S(=O)(=O)C2=CC=CC=C2)N
Compound: 4-chloro-3-[[2-(4-methyl-1-piperidinyl)-1-oxoethyl]amino]benzoic acid methyl ester
SMILES: CC1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl
Compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide
SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4
Compound: 5-chloro-4-[[3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-2-methoxybenzoic acid methyl ester
SMILES: COC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)C=CC2=CC=C(C=C2)Cl
Compound: 1-(4-nitrophenyl)-N-[4-(2-pyridinyl)-1-piperazinyl]ethanimine
SMILES: CC(=NN1CCN(CC1)C2=CC=CC=N2)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3-cyano-4-imino-2-oxopentyl) ester
SMILES: CC(C)[C@@H](C(=O)OCC(=O)C(C#N)C(=N)C)NC(=O)C1=CC=CC=C1Cl
Compound: 4-chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
SMILES: COC1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)Cl)C#N
Compound: N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILES: CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C
Compound: (5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILES: CCCCCCCN1[C@H](CN=C1NC2=CC=CC=C2)CC(C)C
Compound: 2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamide
SMILES: CC1=C(SC(=N1)N(CC=C)C(=O)CSC2=NC(=O)CN2C(=O)C)C3=CC=CC=C3
Compound: 10-(phenylmethyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C4C2=NC(=O)NC4=O
Compound: 2-[[(4-methyl-1-pyrazolyl)-oxomethyl]amino]benzoic acid methyl ester
SMILES: CC1=CN(N=C1)C(=O)NC2=CC=CC=C2C(=O)OC
Compound: 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylthio]propanoic acid
SMILES: CC(C(=O)O)SCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N
Compound: 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-2-yl)oxy]acetic acid ethyl ester
SMILES: CCOC(=O)COC1=C(C=C2C(=C1)C3=C(CCCC3)C(=O)O2)C
Compound: 2-chloro-N-[3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCNC(=O)C3=CC=CC=C3Cl
Compound: 2-(1,3-benzodioxol-5-ylamino)-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILES: COC1=CC(=CC(=C1OC)OC)C(C(=O)NC2CCCCC2)NC3=CC4=C(C=C3)OCO4
Compound: 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NCCO)Br
Compound: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-3-pyrazolecarboxamide
SMILES: CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3
Compound: 4-chloro-2-methyl-N-[1-[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]ethylideneamino]-3-pyrazolecarboxamide
SMILES: CC(=NNC(=O)C1=C(C=NN1C)Cl)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3
Compound: 1-(3-pyridinyl)-3-[(3,5,5-trimethyl-1-cyclohex-2-enylidene)amino]thiourea
SMILES: CC1=CC(=NNC(=S)NC2=CN=CC=C2)CC(C1)(C)C
Compound: 6-(1-azepanylsulfonyl)-1-ethyl-N-(2-furanylmethyl)-4-oxo-3-quinolinecarboxamide
SMILES: CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CO4
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C[C@@H](C[C@@H](O4)OCC5=CC=C(C=C5)CO)C6=CSC7=CC=CC=C76
Compound: (4-chloro-5-hydroxy-3-benzofuranyl)-phenylmethanone
SMILES: C1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)Cl
Compound: N-(2-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-2-propenamide
SMILES: COC1=CC=CC=C1C=CC(=O)NC2=C(N=CC=C2)Cl
Compound: N-(3-methylphenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinamine
SMILES: CC1=CC(=CC=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]
Compound: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]acetic acid ethyl ester
SMILES: CCOC(=O)CSC1=NC(=C(C=C1C#N)C(=O)C)C
Compound: 4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=CC(=CC(=C3O)Cl)Cl
Compound: 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methyl-1-piperidinyl)thieno[2,3-d]pyrimidine
SMILES: CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C)C4=CC(=C(C=C4)OC)OC
Compound: 3-hydroxy-2-(3-methylphenyl)-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine
SMILES: CC1=CC(=CC=C1)N2N=C(C(=NC3CCN(CC3)CC4=CC=CC=C4)N2O)[N+](=O)[O-]
Compound: 2-(2-furanyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide
SMILES: CC1=C([N+](=O)C(=C(N1[O-])C)C2=CC=CO2)C3=CC=CC=C3
Compound: N-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrazolyl)-1-propanamine
SMILES: CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)CNCCCN4C=CC=N4
Compound: 3-[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILES: CC(C)CC1C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
Compound: 8-chloro-N-(4-fluorophenyl)-2-(2-pyridinyl)-4-quinolinecarboxamide
SMILES: C1=CC=NC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=CC=C(C=C4)F
Compound: 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile
SMILES: C1=CC=C(C=C1)N2C(=NN=C2SCC#N)COC3=CC=CC=C3
Compound: 2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILES: C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)COC4=CC=CC=C4
Compound: 3-ethyl-5-[(N-methylanilino)methylidene]-2-sulfanylidene-4-oxazolidinone
SMILES: CCN1C(=O)C(=CN(C)C2=CC=CC=C2)OC1=S
Compound: 1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4
Compound: lomefloxacin
SMILES: CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12
Compound: 4-amino-5-hydroxy-6-(5-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl)-2,5-dihydropyrimidin-2-one
SMILES: CC1=CNC(=O)NC1C2=NC(=O)N=C(N)C2O
Compound: N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester
SMILES: C[C@H]([C@H]1C[C@]1(C)[C@@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4
Compound: N-[1-[2-(1-piperidinyl)ethyl]-2-benzimidazolyl]-1-thiophen-2-ylmethanimine
SMILES: C1CCN(CC1)CCN2C3=CC=CC=C3N=C2N=CC4=CC=CS4
Compound: 6-quinoxalinecarboxylic acid phenyl ester
SMILES: C1=CC=C(C=C1)OC(=O)C2=CC3=NC=CN=C3C=C2
Compound: 1-(3-chlorophenyl)-3-pyridin-4-ylurea
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=NC=C2
Compound: 1-[[(4-amino-1,2,5-oxadiazol-3-yl)hydrazo]methylidene]-2-naphthalenone
SMILES: C1=CC=C2C(=C1)C=CC(=O)C2=CNNC3=NON=C3N
Compound: 2-[2-hydroxy-6,7-dimethoxy-4-(4-morpholinyl)-1-naphthalenyl]-N-phenylacetamide
SMILES: COC1=C(C=C2C(=C1)C(=CC(=C2CC(=O)NC3=CC=CC=C3)O)N4CCOCC4)OC
Compound: 5-[[2-methoxy-4-(4-morpholinyl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILES: COC1=C(C=CC(=C1)N2CCOCC2)C=C3C(=O)NC(=O)NC3=O
Compound: 2-[(2,5-dimethoxyanilino)methylidene]-1-cyclohexanone
SMILES: COC1=CC(=C(C=C1)OC)NC=C2CCCCC2=O
Compound: 6-methyl-3-(prop-2-enylthio)-5H-[1,2,4]triazino[5,6-b]indole
SMILES: CC1=CC=CC2=C1NC3=C2N=NC(=N3)SCC=C
Compound: 5,5-dimethyl-2-[(4-phenylphenyl)hydrazinylidene]cyclohexane-1,3-dione
SMILES: CC1(CC(=O)C(=NNC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)C1)C
Compound: [5-(2-furanyl)-3-isoxazolyl]-(4-methyl-1-piperidinyl)methanone
SMILES: CC1CCN(CC1)C(=O)C2=NOC(=C2)C3=CC=CO3
Compound: 2-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethoxy]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F
Compound: 3-[1-(2,4-dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine
SMILES: C1CC(N(C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CN=CC=C3
Compound: 3-methyl-4-thiophen-2-yl-2,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one
SMILES: CC1=C2C(C3C(=NC2=NN1)CCCC3=O)C4=CC=CS4
Compound: N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2CC(=O)N3C=NN=C3S2
Compound: 4,5-dichloro-3-isothiazolecarboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester
SMILES: CCC(C(=O)NCC1=CC=CS1)OC(=O)C2=NSC(=C2Cl)Cl
Compound: LSM-27751
SMILES: CCOC(=O)C1(C(C(=O)C(=O)N1C2=CC=CC=C2)N=NC3=CC=CC=C3)C
Compound: 2-methoxy-6-[4-(4-methyl-1-piperazinyl)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
SMILES: CN1CCN(CC1)C2=NC(=C3C=CC=C(C3=O)OC)NC4=CC=CC=C42
Compound: 5-(2-nitrophenyl)-N-(2-thiazolyl)-2-furancarboxamide
SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=NC=CS3)[N+](=O)[O-]
Compound: 1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILES: CN1CCC2=C(C(=NC(=C2C1)Cl)Cl)C#N
Compound: N-(5-methyl-1H-pyrazol-3-yl)-2-[[3-oxo-2-(phenylmethyl)-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetamide
SMILES: CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC5=CC=CC=C5
Compound: N-(5-acetyl-4-methyl-2-thiazolyl)-4-tert-butylbenzamide
SMILES: CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)C
Compound: 1-butyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILES: CCCCN1CN(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CS4
Compound: 2-(2-furanyl)-3-(2-furanylmethylideneamino)-7-nitro-1,2-dihydroquinazolin-4-one
SMILES: C1=COC(=C1)C=NN2C(NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C4=CC=CO4
Compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILES: C1CC1C2=NN=C(S2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5F
Compound: 3-[1-(4-chlorophenyl)-5-tetrazolyl]-1-methyl-4-quinolinone
SMILES: CN1C=C(C(=O)C2=CC=CC=C21)C3=NN=NN3C4=CC=C(C=C4)Cl
Compound: 1-azepanyl-[2-[4-(difluoromethylthio)anilino]phenyl]methanone
SMILES: C1CCCN(CC1)C(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F
Compound: 4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILES: C1CCC2=NC3=CC(=NN3C(=C2C1)N4CCOCC4)C5=CC(=CC=C5)F
Compound: 1-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)urea
SMILES: CC1=NC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OCO3
Compound: 5-methyl-2-(2-phenoxyethyl)-4-phenyl-1,2,4-triazol-3-one
SMILES: CC1=NN(C(=O)N1C2=CC=CC=C2)CCOC3=CC=CC=C3
Compound: 4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [3-(4-nitrophenyl)-4-oxo-1-benzopyran-7-yl] ester
SMILES: CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OC(C)(C)C
Compound: 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)benzamide
SMILES: CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3
Compound: 5-[1-(4-fluorophenyl)sulfonyl-3-pyrazolyl]-2-phenylthiazole
SMILES: C1=CC=C(C=C1)C2=NC=C(S2)C3=NN(C=C3)S(=O)(=O)C4=CC=C(C=C4)F
Compound: N-[1-(3-pyridinyl)ethylideneamino]-2-furancarboxamide
SMILES: CC(=NNC(=O)C1=CC=CO1)C2=CN=CC=C2
Compound: oleamide
SMILES: CCCCCCCC\C=C/CCCCCCCC(N)=O
Compound: 5-amino-5-methyl-6-{2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl}-1,3-diazinane-2,4-dione
SMILES: N1C(NC(C(C1C2N3C(NC3=C2)=O)(C)N)=O)=O
Compound: N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine
SMILES: C1=CC=C(C(=C1)C2=NN(C=C2CNCCC3=CC=CC=N3)C4=CC=C(C=C4)F)Cl
Compound: 1-(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)ethanone
SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)C)N)C
Compound: 2-[[2-(carbamoylthio)-1-oxoethyl]amino]benzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)CSC(=O)N
Compound: 3-methyl-N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide
SMILES: CCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)CC(C)C
Compound: 2-[(2-chlorophenoxy)methyl]benzoic acid
SMILES: C1=CC=C(C(=C1)COC2=CC=CC=C2Cl)C(=O)O
Compound: 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILES: C1CN(CCN1CC2CC3CC2C=C3)C4=CC=CC(=C4)C(F)(F)F
Compound: 4-(benzenesulfonyl)-N-methyl-N-phenyl-1-piperazinecarboxamide
SMILES: CN(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
Compound: 3-[3-(N-ethylanilino)propyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one
SMILES: CCN(CCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)NC1=S)C4=CC=CC=C4
Compound: 3-[[[[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-6-quinazolinyl]amino]-oxomethyl]amino]propanoic acid ethyl ester
SMILES: CCOC(=O)CCNC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=C(C=C3)Cl)C
Compound: 3-hydroxy-5-nitro-2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine
SMILES: C1CN(CCC1N=C2C(=NN(N2O)C3=CC=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4
Compound: [(5-methoxy-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]thiourea
SMILES: CC1=NN(C(=C1C=NNC(=S)N)OC)C2=CC=CC=C2
Compound: N'-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylbutanediamide
SMILES: CC1=CC(=NO1)NC(=O)CCC(=O)N(C2=CC=CC=C2)C(C3=CC=NC=C3)C(=O)NC4CCCC4
Compound: N-(1H-indol-3-ylmethyl)cyclohexanamine
SMILES: C1CCC(CC1)NCC2=CNC3=CC=CC=C32
Compound: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamide
SMILES: CC1=NC2=CC=CC=C2C(=C1)CNC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C
Compound: 6-[4,6-bis(4-methoxyphenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
SMILES: COC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC4=C(C=C3)OCC(=O)N4)C5=CC=C(C=C5)OC
Compound: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophenecarboxamide
SMILES: C1=CC=C(C=C1)C2=NOC(=N2)CNC(=O)C3=CC=CS3
Compound: 4-methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester
SMILES: COC1=CC=C(C=C1)C(=O)OCCC2=CC=C(C=C2)O
Compound: N-cyclohexyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]acetamide
SMILES: C1CCC(CC1)NC(=O)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3
Compound: 2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC=CO3
Compound: 2-[4-(phenylmethyl)-1-piperazinyl]-N-(thiophen-2-ylmethylideneamino)acetamide
SMILES: C1CN(CCN1CC2=CC=CC=C2)CC(=O)NN=CC3=CC=CS3
Compound: 4-acetamidobenzoic acid (2-chlorophenyl)methyl ester
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2Cl
Compound: N-(4-amino-9,10-dioxo-1-anthracenyl)benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
Compound: N-cyano-N'-propan-2-ylcarbamimidothioic acid [2-(2-methoxyanilino)-2-oxoethyl] ester
SMILES: CC(C)N=C(NC#N)SCC(=O)NC1=CC=CC=C1OC
Compound: 4-(1-ethyl-3-indolyl)-3-nitro-4-phenyl-2-butanone
SMILES: CCN1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C(C(=O)C)[N+](=O)[O-]
Compound: 4-[2-(4-fluorophenyl)-5-tetrazolyl]quinoline
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C3=NN(N=N3)C4=CC=C(C=C4)F
Compound: 2-furancarboxylic acid [4-[[1-(4-ethoxycarbonylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-methoxyphenyl] ester
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=CO4)OC)C(=O)N2
Compound: N-[(2-chlorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-4-triazolimine
SMILES: C1COC2=C(O1)C=CC(=C2)N3N=C(C(=NCC4=CC=CC=C4Cl)N3O)[N+](=O)[O-]
Compound: N-[1-[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]ethylideneamino]-4-pyridinecarboxamide
SMILES: CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl
Compound: 6-chloro-3-(3,3-dimethyl-2-oxobutyl)-1,4-benzoxazin-2-one
SMILES: CC(C)(C)C(=O)CC1=NC2=C(C=CC(=C2)Cl)OC1=O
Compound: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: CC(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CO2)Br
Compound: 2-[4-(difluoromethylthio)anilino]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
SMILES: C1CC1NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)SC(F)F
Compound: 4-amino-N'-[[3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILES: CC1=CC(=CC=C1)COC2=C(C=C(C=C2Br)C=NN=C(C3=NON=C3N)N)OC
Compound: 1-amino-3-(4-chloro-2-methoxy-5-methylphenyl)thiourea
SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=S)NN
Compound: N-cyclohexyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1'-cyclohexane]imine
SMILES: C1CCC(CC1)N=C2C(=CC=C3C2=NC4(N3O)CCCCC4)[N+](=O)[O-]
Compound: 5-chloro-N-[2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-2-methoxybenzamide
SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NCC(C2=CC=CO2)N3CCCC3
Compound: 3-ethoxy-6-[4-(2-methyl-4-thiazolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
SMILES: CCOC1=CC(=O)C(=C2C(=CNN2)C3=CSC(=N3)C)C=C1
Compound: 3-[2-(4-fluorophenyl)-5-tetrazolyl]-2-methoxypyridine
SMILES: COC1=C(C=CC=N1)C2=NN(N=N2)C3=CC=C(C=C3)F
Compound: 2-(trifluoromethyl)-3-imidazo[1,2-a]pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C2N1C=CC=N2)C(F)(F)F
Compound: 6-[[(2-methoxycarbonyl-3-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
SMILES: COC(=O)C1=C(C=CS1)NC(=O)C2CC=CCC2C(=O)O
Compound: 3-methyl-1,3-benzoxazole-2-thione
SMILES: CN1C2=CC=CC=C2OC1=S
Compound: N-methyl-5-nitro-N-(phenylmethyl)-2-furancarboxamide
SMILES: CN(CC1=CC=CC=C1)C(=O)C2=CC=C(O2)[N+](=O)[O-]
Compound: 5-(2-oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile
SMILES: C1CC(OC1)CNC2=C(N=C(O2)C3=CC=CS3)C#N
Compound: 2-[(3,4-dimethoxyphenyl)methyl]-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)CC4=CC(=C(C=C4)OC)OC
Compound: 1-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)O
Compound: N-[3-cyano-1-(2-furanylmethyl)-10-methyl-5-oxo-2-dipyrido[3,4-c:1',2'-f]pyrimidinylidene]-2-furancarboxamide
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC=CO4)N3CC5=CC=CO5)C#N
Compound: 2-[[[2-amino-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)CCCOC)N
Compound: N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-furanylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide
SMILES: CC(C)(C)NC(=O)C(C1=CC=NC=C1)N(CC2=CC=CO2)C(=O)C3=CC=C(N3)C4=CC=CC=C4