MonarchInit/C3PO huggingface dataset:
Compound: 4-[[(2-methyl-1,3-benzothiazol-6-yl)-oxomethyl]amino]benzoic acid methyl ester
SMILES: CC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC
Compound: 4-[4-(2,4-dichlorophenyl)-2-thiazolyl]benzoic acid
SMILES: C1=CC(=CC=C1C2=NC(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O
Compound: N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamide
SMILES: CCCC(=O)N(CCC1=CC=CC=C1)CC2=NC(=O)C3=CC=CC=C3N2
Compound: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]-1-isoindolyl]-2-thiophenecarboxamide
SMILES: COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=CS4)C#N
Compound: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC(=C(C=C4)O)OC)SC3=S
Compound: 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
SMILES: CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4
Compound: 2-chloro-4,6-diphenylpyrimidine
SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)Cl)C3=CC=CC=C3
Compound: N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl
Compound: 2-(3,4-dimethoxyphenyl)-8-methoxy-4,4-dimethyl-5H-isothiazolo[5,4-c]quinoline-1-thione
SMILES: CC1(C2=C(C3=C(N1)C=CC(=C3)OC)C(=S)N(S2)C4=CC(=C(C=C4)OC)OC)C
Compound: 3-[5-[(3,4-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
SMILES: CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=NN(C=CC3=O)C4=CC=CC=C4
Compound: 2-bromo-N-(4-ethylphenyl)benzamide
SMILES: CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br
Compound: 2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
SMILES: CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4C=CN=C4
Compound: N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide
SMILES: C1COCCN1C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3
Compound: 4-(4-morpholinylsulfonyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CS4
Compound: N-(pyridin-4-ylmethylideneamino)-3-[2-(pyridin-4-ylmethylidene)hydrazinyl]benzamide
SMILES: C1=CC(=CC(=C1)NN=CC2=CC=NC=C2)C(=O)NN=CC3=CC=NC=C3
Compound: N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(phenylmethyl)propanamide
SMILES: CCN(CC1=CC=CC=C1)C(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C
Compound: 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(2-furanylmethyl)thiourea
SMILES: CN(C)C1=CC=C(C=C1)C=NNC(=S)NCC2=CC=CO2
Compound: 3-[[oxo(2-quinoxalinyl)methyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2
Compound: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide
SMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C
Compound: 3,4-dimethoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILES: CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)OC
Compound: 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
SMILES: CC(C1=CC2=C(C=C1)OCCOCCN(CCOCCO2)C)O
Compound: 1-(4-methoxyphenyl)-3-(6-quinoxalinyl)thiourea
SMILES: COC1=CC=C(C=C1)NC(=S)NC2=CC3=NC=CN=C3C=C2
Compound: 4-(2,4-dichlorophenoxy)-N-propan-2-yl-6-(trifluoromethyl)-2-pyrimidinamine
SMILES: CC(C)NC1=NC(=CC(=N1)OC2=C(C=C(C=C2)Cl)Cl)C(F)(F)F
Compound: N-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-2-pyrazinecarboxamide
SMILES: CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=NC=CN=C4)C(=C2)C
Compound: N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine
SMILES: CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3S2)C
Compound: 4-methyl-N-[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC(=S)NN2C=NN=C2
Compound: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide
SMILES: CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=CC=C3)C
Compound: 2-chloro-N-[[5-(4-morpholinyl)-2-thiophenyl]methylideneamino]-5-(trifluoromethyl)aniline
SMILES: C1COCCN1C2=CC=C(S2)C=NNC3=C(C=CC(=C3)C(F)(F)F)Cl
Compound: 1-(3-methylphenyl)-3-(2-pyridinyl)thiourea
SMILES: CC1=CC(=CC=C1)NC(=S)NC2=CC=CC=N2
Compound: N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxamide
SMILES: CC(C)N1CC(CC1=O)C(=O)NC2=CC(=C(C=C2)Br)Cl
Compound: N-(3,4-dimethyl-5-isoxazolyl)-4-[(3-oxo-3-pyridin-4-ylprop-1-enyl)amino]benzenesulfonamide
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC=CC(=O)C3=CC=NC=C3
Compound: 1-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILES: COC1=C(C=CC(=C1)C=NN2C=NN=C2)OCCOC3=CC=CC=C3
Compound: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-furancarboxamide
SMILES: C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)C3=CC=CO3
Compound: 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester
SMILES: CCN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C
Compound: 3-(4-chlorophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
SMILES: C1N=C(NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC=CC=C3
Compound: 4-methyl-5-thieno[3,2-b]pyrrolecarboxylic acid [1-oxo-1-(2-phenylethylamino)propan-2-yl] ester
SMILES: CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC3=C(N2C)C=CS3
Compound: 3-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
SMILES: COC1=CC=CC=C1CN2C=NC3=C2N=CC=C3
Compound: 5-methyl-4-phenyl-N-(thiophen-2-ylmethylideneamino)-2-thiazolamine
SMILES: CC1=C(N=C(S1)NN=CC2=CC=CS2)C3=CC=CC=C3
Compound: 3-cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-4-amine
SMILES: C1CCC(CC1)C2=NN=C(N2N)SCC3=CC=CC=C3
Compound: [[4-(diethylamino)phenyl]methylideneamino]urea
SMILES: CCN(CC)C1=CC=C(C=C1)C=NNC(=O)N
Compound: N-(2-furanylmethylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: C1CCC2=C(C1)C(=CS2)C(=O)NN=CC3=CC=CO3
Compound: N-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]benzamide
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C
Compound: 6-methyl-2-[[(4-methylanilino)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)NC3=CC=C(C=C3)C
Compound: 4-[[[(2-methoxyphenyl)methylamino]-oxomethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=CC=C2OC
Compound: 3-(3,4-dimethoxyphenyl)-7-(2-oxopropoxy)-1-benzopyran-2-one
SMILES: CC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC(=C(C=C3)OC)OC
Compound: 4-nitro-N-[1-(2-oxo-1-benzopyran-3-yl)ethylideneamino]benzamide
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC3=CC=CC=C3OC2=O
Compound: LSM-26232
SMILES: CCN(CCCNC1=[NH+]C=NC2=C1NC=N2)C3=CC=CC(=C3)C
Compound: N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-oxolanecarboxamide
SMILES: CN(C1=NN=C(S1)C2=CC=CC=N2)C(=O)C3CCOC3
Compound: 2,4-dichlorobenzoic acid 1,2,4-triazol-1-ylmethyl ester
SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)OCN2C=NC=N2
Compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
SMILES: CC1=CC(=CC(=C1)C2=NN=C(O2)SCC(=O)C3=CC4=C(C=C3)OCCO4)C
Compound: N-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidinecarboxamide
SMILES: C1CN(CCC1(C2=CC3=C(C=C2)OCO3)O)C(=O)NC45CC6CC(C4)CC(C6)C5
Compound: N'-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
SMILES: C1=CC=C(C=C1)OCC(=O)NNC2=NC3=C(C=CC=C3S2)F
Compound: 5-methoxy-3-methyl-2-benzofurancarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester
SMILES: CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)C(C#N)C(=N)C
Compound: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-3-dibenzofuranyl)acetamide
SMILES: CCN1C(=NN=C1SCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)C5=CC=CS5
Compound: N,N-diethyl-4-[oxo-(2,4,6-trimethylphenyl)methyl]benzamide
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2C)C)C
Compound: 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)-4-triazolecarboxamide
SMILES: COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)C3=CC=CC=C3OC)N)OC
Compound: 3-(1-benzothiophen-3-yl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=CC=C1N2C(=NNC2=S)C3=CSC4=CC=CC=C43
Compound: N-[2,6-dimethyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N,4-dimethylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)N3CCN(CC3)C)C
Compound: N-(2-furanylmethyl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3
Compound: 4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(N1CC(=O)NC3=C(C=C(C=C3)OC)OC)C=CS2
Compound: N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(2-methoxyphenyl)acetamide
SMILES: COC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CO4
Compound: erlotinib
SMILES: COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Compound: sodium disulfite
SMILES: S(S([O-])=O)([O-])(=O)=O.[Na+].[Na+]
Compound: 1-[cyclopropyl(oxo)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILES: C1CC1C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N(CCO)CC4=CC=CC=C4
Compound: N-(2-ethylphenyl)-2-[[2-(4-methoxyphenyl)-4-oxo-1-benzopyran-6-yl]oxy]acetamide
SMILES: CCC1=CC=CC=C1NC(=O)COC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=C(C=C4)OC
Compound: 1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
SMILES: CN(C1=CC=CC(=C1)NC(=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)C
Compound: N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(2-hydroxyethyl)benzamide
SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=O)C3=CC=C(C=C3)F
Compound: 4-chloro-3-(diethylsulfamoyl)-N-(2-nitrophenyl)benzamide
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-])Cl
Compound: 4-amino-N'-[(3,4-dimethoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILES: COC1=C(C=C(C=C1)C=NN=C(C2=NON=C2N)N)OC
Compound: 1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]thiourea
SMILES: CC1CCN(CC1)CCNC(=S)NC2=CC(=C(C=C2)OC)Cl
Compound: LSM-26256
SMILES: CC1(CC2=C3C4=C(C(=NC=N4)SCC(=O)OC)SC3=NC(=C2CO1)C5=CC=CO5)C
Compound: N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-oxolanylmethyl)-2-furancarboxamide
SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3CCCO3)C(=O)C4=CC=CO4
Compound: 2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol
SMILES: C1=CC=C2C(=C1)NC(=N2)CC3=C(C=CC(=C3)O)O
Compound: 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-3-(3-hydroxyphenyl)-4-quinazolinone
SMILES: C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)O
Compound: 2-[(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
SMILES: CCCC1=C(C(=O)NN1)C(C2=CC(=CC=C2)Cl)C(C#N)C#N
Compound: N,4-dimethyl-5-phenyl-2-thiophenecarboxamide
SMILES: CC1=C(SC(=C1)C(=O)NC)C2=CC=CC=C2
Compound: 2-hydroxybutyric acid
SMILES: CCC(O)C(O)=O
Compound: N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylideneamino]-1H-indole-3-carboxamide
SMILES: CCN1C(=C(C(=N1)C)C=NNC(=O)C2=CNC3=CC=CC=C32)C
Compound: N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide
SMILES: CC1=C(C=CC(=C1)OCC(=O)NC(C)(C)C)Cl
Compound: 2-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]thio]-1-phenylethanone
SMILES: C1CCN(CC1)C2=NC(=NC(=N2)SCC(=O)C3=CC=CC=C3)N4CCCCC4
Compound: 2-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-2-azaspiro[5.5]undecane
SMILES: CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N3CCCC4(C3)CCCCC4
Compound: 3-(9-carbazolylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione
SMILES: CN1C(=NNC1=S)CN2C3=CC=CC=C3C4=CC=CC=C42
Compound: 1-(1,3-benzodioxol-5-yl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]urea
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4
Compound: N4-(3,4-dimethylphenyl)-2-(4-ethyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine
SMILES: CCN1CCN(CC1)C2=NC(=C(C(=N2)NC3=CC(=C(C=C3)C)C)[N+](=O)[O-])N
Compound: LSM-26269
SMILES: CC1=CC2=C(C=C1)C=C(C(=O)N2)C3C(C(=NC(=C3C(=O)OC)C)C)C(=O)OC
Compound: 3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide
SMILES: C1=CC(=CC(=C1)Br)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]
Compound: N-(2-fluoro-5-nitrophenyl)-2,2-dimethylbutanamide
SMILES: CCC(C)(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])F
Compound: 3-[(2-ethyl-1-oxobutyl)amino]-N-(2-furanylmethyl)benzamide
SMILES: CCC(CC)C(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=CO2
Compound: 5-amino-1-[2-(3-chlorophenyl)-3,4-dimethyl-7-pyrazolo[3,4-d]pyridazinyl]-4-pyrazolecarbonitrile
SMILES: CC1=C2C(=NN=C(C2=NN1C3=CC(=CC=C3)Cl)N4C(=C(C=N4)C#N)N)C
Compound: 2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamide
SMILES: C1=CC=C(C=C1)CC(=O)NCCSCC2=CC=CC=C2
Compound: N-[[5-(3-chloro-4-methylphenyl)-2-furanyl]methylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide
SMILES: CC1=C(C=C(C=C1)C2=CC=C(O2)C=NNC(=O)CSC3=NN=C(S3)C)Cl
Compound: LSM-26276
SMILES: C1CC(C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@H]2N3CC6=COC=N6)CO
Compound: (2S,3S,3aR,9bR)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-[oxo(3-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=CC(=O)N31)C(=O)C4=CN=CC=C4)C(=O)NCC5=CC=C(C=C5)F)CO
Compound: LSM-26278
SMILES: C1CC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@H]3N2CC6=CN=CN=C6)CO
Compound: (2R,3R,3aS,9bS)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-[oxo(3-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=CC(=O)N31)C(=O)C4=CN=CC=C4)C(=O)NCC5=CC=C(C=C5)F)CO
Compound: 2-[(2R,4aS,12aR)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
SMILES: CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C
Compound: 2-[(2S,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
SMILES: CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C
Compound: 2-[(2S,4aR,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
SMILES: CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C
Compound: 2-[(2R,4aR,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
SMILES: CCNC(=O)C[C@H]1CC[C@@H]2[C@H](O1)COC3=C(C=C(C=C3)NC(=O)C)C(=O)N2C
Compound: (2S,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
SMILES: C1CCC(C1)C(=O)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO
Compound: (2R,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
SMILES: C1CCC(C1)C(=O)N2[C@@H]([C@@H]([C@@H]2C#N)C3=CC=CC=C3)CO
Compound: (2S,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(4-phenyl-2-thiazolyl)-2-azetidinecarbonitrile
SMILES: C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)C4=NC(=CS4)C5=CC=CC=C5)CO
Compound: 4-[4-[(2S,3R,4R)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
SMILES: CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@@H]3C#N)C(=O)C4CC4)CO
Compound: 5-chloro-4-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-2-methoxybenzoic acid methyl ester
SMILES: COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=C(C(=C2)OC)C(=O)OC)Cl)OC
Compound: N-(3-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILES: COC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C(=O)NC4=CC(=CC=C4)OC
Compound: 3-(2-pyrimidinylthio)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILES: C1C(C(=O)N(C1=O)C2=CC=CC=C2C(F)(F)F)SC3=NC=CC=N3
Compound: N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetamide
SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC3=CC(=CC4=C3C5=C(CCC5)C(=O)O4)C
Compound: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-quinolinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N=C1)NC3=CC4=C(C=C3)OCCO4
Compound: N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILES: C1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)NC(=O)C4=CC=CC=C4
Compound: 1-[(4-methylphenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: CC1=CC=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC
Compound: 1-[5-(2-amino-5-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]-1-butanone
SMILES: CCCC(=O)N1CCC2=C1C=CC(=C2)C3=C(SC(=N3)N)C
Compound: N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
SMILES: CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N3CCOCC3)NCC4=CC=CO4
Compound: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide
SMILES: COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]
Compound: 3-[4,8-dimethyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-3-yl]propanoic acid ethyl ester
SMILES: CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC3=NNN=N3)C)OC1=O)C
Compound: 4-methyl-N-[2-[6-methyl-3-(methylthio)-1,2,4-triazin-5-yl]ethenyl]aniline
SMILES: CC1=CC=C(C=C1)NC=CC2=C(N=NC(=N2)SC)C
Compound: 4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=NO2)C3=CC=C(C=C3)Cl)C(=O)O
Compound: 6-[3-(3,4-dimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-5-ylidene]-1-cyclohexa-2,4-dienone
SMILES: COC1=C(C=C(C=C1)C2=CNN3C2=NC(=C4C=CC=CC4=O)C=C3)OC
Compound: N-(4-fluorophenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILES: CCCC1C2=CC=C(N2CCN1C(=O)NC3=CC=C(C=C3)F)C
Compound: 2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-furanylmethyl)acetamide
SMILES: CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)C4=CC=CC=C4)C
Compound: 2-[5-[(2-chlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine
SMILES: C1=CC=C(C(=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4)Cl
Compound: 7-[[1-(2-oxolanylmethyl)-5-tetrazolyl]-(1-pyrrolidinyl)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILES: C1CCN(C1)C(C2=CC3=CC4=C(C=C3NC2=O)OCO4)C5=NN=NN5CC6CCCO6
Compound: N'-[(4-chlorophenyl)-oxomethyl]-2-hydroxy-3-methylbenzohydrazide
SMILES: CC1=CC=CC(=C1O)C(=O)NNC(=O)C2=CC=C(C=C2)Cl
Compound: N-(1,3-benzodioxol-5-yl)-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide
SMILES: CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC4=C(C=C3)OCO4
Compound: [4-(3-chlorophenyl)-1-piperazinyl]-(2,5-dimethyl-3-furanyl)methanone
SMILES: CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl
Compound: 6-[4-(2-methoxyphenoxy)-1,2-dihydropyrazol-3-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone
SMILES: CC(=C)COC1=CC(=O)C(=C2C(=CNN2)OC3=CC=CC=C3OC)C=C1
Compound: 4-[(2-chloro-5-thiazolyl)methylthio]benzoic acid
SMILES: C1=CC(=CC=C1C(=O)O)SCC2=CN=C(S2)Cl
Compound: 1-(2-hydroxyethyl)-4-[1]benzopyrano[3,4-d]triazolone
SMILES: C1=CC=C2C(=C1)C3=C(C(=O)O2)N=NN3CCO
Compound: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
Compound: 1-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanone
SMILES: CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)CC3=CSC(=N3)C
Compound: 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile
SMILES: CC1=C(C(=O)N(C(=C1CN2CCCCC2)O)CCCO)C#N
Compound: [1-[2-(2-methylphenoxy)ethyl]-3-indolyl]-(4-methyl-1-piperazinyl)methanethione
SMILES: CC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C(=S)N4CCN(CC4)C
Compound: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4
Compound: N-[(1,3-diphenyl-4-pyrazolyl)methylideneamino]-2-furancarboxamide
SMILES: C1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=CC=CO3)C4=CC=CC=C4
Compound: 4-(4-morpholinyl)-N-(pyridin-4-ylmethyl)aniline
SMILES: C1COCCN1C2=CC=C(C=C2)NCC3=CC=NC=C3
Compound: 1-(2-furanyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)ethanone
SMILES: C1=CC=C2C(=C1)N3C(=NN=C3SCC(=O)C4=CC=CO4)S2
Compound: 1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone
SMILES: C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC(=C(C=C4)Cl)Cl
Compound: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-hydroxyanilino)-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)O)N3C(=CC(=N3)C)C
Compound: 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)OCC)C3=CC(=CC=C3)F
Compound: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(9-ethyl-3-carbazolyl)acetamide
SMILES: CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC)C5=CC=CC=C51
Compound: 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-2-thiazolamine
SMILES: CC1=C(N=CC=C1)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC
Compound: 2-[benzenesulfonyl-(phenylmethyl)amino]-N-ethylacetamide
SMILES: CCNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
Compound: 2-[cyclopentyl-[1-oxo-2-(5-thiophen-2-yl-2-tetrazolyl)ethyl]amino]-N-(2-oxolanylmethyl)-2-thiophen-2-ylacetamide
SMILES: C1CCC(C1)N(C(C2=CC=CS2)C(=O)NCC3CCCO3)C(=O)CN4N=C(N=N4)C5=CC=CS5
Compound: 6-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-1H-benzimidazole
SMILES: C1CN(CCC1C2=NC3=C(N2)C=C(C=C3)Cl)S(=O)(=O)C4=CC5=C(C=C4)OCCO5
Compound: 1-(1,4-dioxan-2-yl)-N-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILES: CN(CC1COCCO1)CC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4
Compound: 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea
SMILES: CCOC1=CC=CC=C1CNC(=O)NC2=CC=CS2
Compound: 1-(2-methoxy-5-methylphenyl)-3-pyridin-4-ylurea
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=NC=C2
Compound: 4-methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid
SMILES: COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3
Compound: 1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone
SMILES: CC1CC(CN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)CC4=CC=CS4)C
Compound: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamide
SMILES: CCSC1=NN=C(S1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C
Compound: 2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
SMILES: CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)N5CCOCC5
Compound: LSM-26335
SMILES: COC1=CC=C(C=C1)C2C(C(=O)C(=O)N2C3=CC=CC=N3)C(=O)C4=CC(=CC=C4)OC
Compound: N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3NC(=O)C4=CC=CO4
Compound: 2-[[2-(4-ethyl-4-methyl-2,5-dioxo-1-imidazolidinyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILES: CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N)C
Compound: 2-(4-hydroxy-3-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILES: COC1=CC=CC=C1N2C(NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)O)OC
Compound: N-[[[(2,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2,2-dimethylpropanamide
SMILES: CC(C)(C)C(=O)NC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)Cl
Compound: 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-furo[3,2-b]pyrrolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(N1CC(=O)N3CCCC4=CC=CC=C43)C=CO2
Compound: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide
SMILES: CC1=C(C=C(C(=C1)O)C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC
Compound: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-methylbenzamide
SMILES: CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3C
Compound: 3-(2-chlorophenyl)-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)C(C)C
Compound: [3-(phenylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
SMILES: C1NC(=NCN1CC2=CC=CC=C2)NC#N
Compound: 1-ethyl-2-benzo[cd]indolone
SMILES: CCN1C2=CC=CC3=C2C(=CC=C3)C1=O
Compound: N-[2-[tert-butyl(methyl)amino]ethyl]-N-methyl-2,2-diphenylacetamide
SMILES: CC(C)(C)N(C)CCN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
Compound: 2-(ethylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILES: CCSC1=NN2C(=O)C3=CC=CC=C3N=C2S1
Compound: 1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CC=N2
Compound: 4-(4-chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile
SMILES: CN1C(=O)C(=C(N=C1SC)C2=CC=C(C=C2)Cl)C#N
Compound: 3-methoxy-N-(4-methyl-2-thiazolyl)benzamide
SMILES: CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)OC
Compound: 4-(9-acridinylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53
Compound: 5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-isoxazolecarboxamide
SMILES: CC1=CC(=NO1)C(=O)NC2=NN=C(S2)C(F)(F)F
Compound: N-[2-[(phenylmethyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester
SMILES: CCOC(=O)NC1(OC2=CC=CC=C2O1)NCC3=CC=CC=C3
Compound: 1-butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methylthiourea
SMILES: CCCCN(C)C(=S)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCN(CC3)CC
Compound: 4-benzoyl-2-heptyl-5-methyl-4H-pyrazol-3-one
SMILES: CCCCCCCN1C(=O)C(C(=N1)C)C(=O)C2=CC=CC=C2
Compound: 2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline
SMILES: C1=CC=C(C(=C1)N)OCCOCCOC2=CC=CC=C2N
Compound: 3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]propanoic acid
SMILES: CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)O
Compound: 2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]-N-(phenylmethyl)acetamide
SMILES: CC1=NC2=C(C(=N1)SCC(=O)NCC3=CC=CC=C3)OC4=CC=CC=C42
Compound: 6-chloro-3-[2-(2-furanyl)-2-oxoethyl]-1,4-benzoxazin-2-one
SMILES: C1=COC(=C1)C(=O)CC2=NC3=C(C=CC(=C3)Cl)OC2=O
Compound: 2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone
SMILES: CC1=CC=C(S1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
Compound: 2-(1-benzo[e]benzofuranyl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide
SMILES: COC1=C(C=C(C=C1)NC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3)S(=O)(=O)N5CCOCC5
Compound: N2-[[4-(dimethylamino)phenyl]methylideneamino]-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
SMILES: CC1=C(C(=NC(=N1)NN=CC2=CC=C(C=C2)N(C)C)NC3=CC=C(C=C3)OC)[N+](=O)[O-]
Compound: 3-(8-methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
SMILES: CC1=CC=CN2C1=NC(=C2)C3=CC4=CC=CC=C4OC3=O
Compound: N-[4-[oxo-[(1-oxo-3-phenylpropyl)hydrazo]methyl]phenyl]pentanamide
SMILES: CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)CCC2=CC=CC=C2
Compound: N-(1,3-benzodioxol-5-yl)-2-[(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide
SMILES: COC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC(=O)NC4=CC5=C(C=C4)OCO5
Compound: 5-(4-methylphenyl)-2-phenyl-3-pyrazolamine
SMILES: CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
Compound: 2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
SMILES: COC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2OC
Compound: 1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazole
SMILES: C1=CC=C(C=C1)N2C=CN=C2SCC3=CC=C(C=C3)C(F)(F)F
Compound: 4-[2-[2-[[1-[(4-fluorophenyl)methyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1H-indol-3-yl]ethylamino]-4-oxobutanoic acid
SMILES: C1=CC=C2C(=C1)C(=C(N2)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F)CCNC(=O)CCC(=O)O
Compound: 2-[2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-6-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester
SMILES: COC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(S3)Cl
Compound: N-(2-chlorophenyl)-4-(1-pyrrolyl)-1,3,5-triazin-2-amine
SMILES: C1=CC=C(C(=C1)NC2=NC=NC(=N2)N3C=CC=C3)Cl
Compound: 4-[[oxo(2-oxolanyl)methyl]amino]benzoic acid butyl ester
SMILES: CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2
Compound: 4-[[1,2-dioxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid butyl ester
SMILES: CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=NC=C2
Compound: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(2-chlorophenyl)-2-propenamide
SMILES: CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C=CC3=CC=CC=C3Cl
Compound: 2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)cyclohexane-1,3-dione
SMILES: C1C(CC(=O)C(C1=O)CS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Compound: 2-(phenylmethyl)benzoic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester
SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)SC(F)F
Compound: 4-cyano-3-methyl-5-(4-methylphenyl)-2-thiophenecarbohydrazide
SMILES: CC1=CC=C(C=C1)C2=C(C(=C(S2)C(=O)NN)C)C#N
Compound: 2,2-dimethyl-N-[2,2,2-trichloro-1-(2-pyrimidinylthio)ethyl]propanamide
SMILES: CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)SC1=NC=CC=N1
Compound: 2,4-dichloro-N-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide
SMILES: CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NC(=O)C4=C(C=C(C=C4)Cl)Cl
Compound: 3-imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
SMILES: CC1(CC2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C
Compound: 2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamide
SMILES: C1CN(CCC1NC(=O)C2=CC=CC=C2Cl)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
Compound: 1-(3-bicyclo[2.2.1]heptanyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]thiourea
SMILES: COC1=CC=CC(=C1OC)C=NNC(=S)NC2CC3CCC2C3
Compound: N-[(2-chlorophenyl)methyl]-2-(4-ethyl-1-oxo-2-pyrrolo[1,2-d][1,2,4]triazinyl)acetamide
SMILES: CCC1=NN(C(=O)C2=CC=CN21)CC(=O)NCC3=CC=CC=C3Cl
Compound: 4-[1-[(3-methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
SMILES: COC1=CC=CC(=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N
Compound: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3
Compound: 1-(4-methyl-2-prop-2-enylphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
SMILES: CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)CC=C
Compound: 3,5-dimethyl-4-isoxazolecarboxylic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester
SMILES: CCCN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=C(ON=C2C)C)N
Compound: 4-amino-6,7-diphenyl-3H-pteridine-2-thione
SMILES: C1=CC=C(C=C1)C2=NC3=C(NC(=S)N=C3N=C2C4=CC=CC=C4)N
Compound: 2-chloro-5-[5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid
SMILES: COC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C#N
Compound: 4-(4-propan-2-ylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
SMILES: CC(C)C1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=O)N2
Compound: 2-(4-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILES: CC1=CC(=NC2=NC(=NN12)C3=CC=C(C=C3)F)C
Compound: N-(3-bicyclo[2.2.1]heptanyl)-2-[5-(4-chlorophenyl)-2-tetrazolyl]acetamide
SMILES: C1CC2CC1CC2NC(=O)CN3N=C(N=N3)C4=CC=C(C=C4)Cl
Compound: 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-(2-quinolinyl)-2-propen-1-one
SMILES: C1CN(CCN1C(=O)C=CC2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)F
Compound: N-[1-(2-furanyl)-3-(2-furanylmethylamino)-3-oxoprop-1-en-2-yl]-2-furancarboxamide
SMILES: C1=COC(=C1)CNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CO3
Compound: N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(8-quinolinyloxy)acetamide
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)COC2=CC=CC3=C2N=CC=C3)OC
Compound: [(2S)-1,3-dimethyl-3'-nitro-1'-spiro[cyclohepta[d]imidazol-3-ium-2,4'-cyclohexa-2,5-diene]ylidene]-dioxidoammonium
SMILES: CN1C2=CC=CC=CC2=[N+](C13C=CC(=[N+]([O-])[O-])C=C3[N+](=O)[O-])C
Compound: 5-bromo-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-pyridinecarboxamide
SMILES: CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC(=CN=C3)Br
Compound: 2-(3,4-dimethylphenyl)-N-[(1,5-dimethyl-4-pyrazolyl)methylideneamino]-4-quinolinecarboxamide
SMILES: CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C(N(N=C4)C)C)C
Compound: 5-bromo-N-[3-(2-oxo-1-benzopyran-3-yl)phenyl]-2-furancarboxamide
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)NC(=O)C4=CC=C(O4)Br
Compound: 2-[[[4-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)OCC)C
Compound: 2-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NN3C(=NN=C3C4=CC=C(C=C4)Cl)C=C2
Compound: 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
SMILES: C1=CC(=CC=C1NC2=CC=NC=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-])[N+](=O)[O-]
Compound: N-(4-methyl-1-piperazinyl)-1-(4-phenylphenyl)methanimine
SMILES: CN1CCN(CC1)N=CC2=CC=C(C=C2)C3=CC=CC=C3
Compound: 2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone
SMILES: COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)N3CCOCC3
Compound: N2-[5-(3-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine
SMILES: C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC(=CC=C3)Cl)NC4=CC=CC=C4N
Compound: 2-furancarboxylic acid [4-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester
SMILES: CC(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CO4
Compound: 5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde
SMILES: CN1C2=CC=CC=C2N=C1C3=CC=C(S3)C=O
Compound: LSM-26409
SMILES: CC1=NC2=C(C(=C1)C3=CC=CC=C3)C4=C(S2)C(=CC(=O)N4)O
Compound: 2-(1-piperidinyl)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
SMILES: C1CCN(CC1)C2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N
Compound: 4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
SMILES: C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CCC(=O)O
Compound: 1-butyl-5-[1-[2-(1H-indol-3-yl)ethylamino]ethylidene]-1,3-diazinane-2,4,6-trione
SMILES: CCCCN1C(=O)C(=C(C)NCCC2=CNC3=CC=CC=C32)C(=O)NC1=O
Compound: 6-[(2,4-dichlorophenoxy)methyl]-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: COC1=CC=CC=C1C2=NN=C3N2N=C(S3)COC4=C(C=C(C=C4)Cl)Cl
Compound: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]ethanone
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NN=C(O3)C4=CC=CS4
Compound: 1-(2-furanyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone
SMILES: C1=COC(=C1)C(=O)CSC2=NC=NN2
Compound: (2S)-2-ammonio-5-{[iminio(methylamino)methyl]amino}pentanoate
SMILES: CNC(=[NH2+])NCCC[C@H]([NH3+])C([O-])=O
Compound: sodium ferulate
SMILES: [Na+].C(/C=C/C1=CC=C(C(=C1)OC)O)([O-])=O
Compound: N-(3-carbamoyl-5-propyl-2-thiophenyl)-2-oxolanecarboxamide
SMILES: CCCC1=CC(=C(S1)NC(=O)C2CCCO2)C(=O)N
Compound: 4-[1-[(3-methoxy-4-methylphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine
SMILES: CC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N)OC
Compound: N-[4-(dimethylamino)phenyl]-3-(5-methyl-2-furanyl)-2-propenamide
SMILES: CC1=CC=C(O1)C=CC(=O)NC2=CC=C(C=C2)N(C)C
Compound: 2-hydroxy-2,2-bis(4-methylphenyl)-N'-(2-pyridinyl)acetohydrazide
SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(=O)NNC3=CC=CC=N3)O
Compound: 2-(4-chlorophenyl)-4-[3-(2-furanyl)prop-2-enylidene]-5-oxazolone
SMILES: C1=COC(=C1)C=CC=C2C(=O)OC(=N2)C3=CC=C(C=C3)Cl
Compound: N-(4-chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CN1C=CC=C1CC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=C(C=C4)Cl
Compound: 4-(diethylsulfamoyl)benzoic acid 1,3-benzodioxol-5-yl ester
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3
Compound: N,N-dimethyl-6-phenyl-3-pyridazinamine
SMILES: CN(C)C1=NN=C(C=C1)C2=CC=CC=C2
Compound: N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide
SMILES: CC(C)(C)C(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)O
Compound: 1-(5-chloro-2,4-dimethoxyphenyl)-3-(phenylmethyl)thiourea
SMILES: COC1=CC(=C(C=C1NC(=S)NCC2=CC=CC=C2)Cl)OC
Compound: 3-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4-pyrido[2,3-d]pyrimidinone
SMILES: C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN3C=NC4=C(C3=O)C=CC=N4
Compound: N-[1-oxo-3-phenyl-1-(2-pyridinylmethylamino)propan-2-yl]-2-furancarboxamide
SMILES: C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=N2)NC(=O)C3=CC=CO3
Compound: N-[2-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-2-oxoethyl]-2-phenoxyacetamide
SMILES: COC1=CC=CC(=CNNC(=O)CNC(=O)COC2=CC=CC=C2)C1=O
Compound: 4-morpholinecarboxylic acid [3-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester
SMILES: CC(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=CC=C3)OC(=O)N4CCOCC4
Compound: 8-(diethylaminomethyl)-7-hydroxy-4-phenyl-1-benzopyran-2-one
SMILES: CCN(CC)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O
Compound: 3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide
SMILES: CC1=CC=C(C=C1)C2CCN(C2)C(=O)NC3=CC=CC=C3
Compound: 2-(3-nitrophenyl)-N-(phenylmethyl)-4-quinazolinamine
SMILES: C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-]
Compound: 1-(1-adamantyl)-3-[1-(phenylmethyl)-4-pyrazolyl]urea
SMILES: C1C2CC3(CC1CC(C3)C2)NC(=O)NC4=CN(N=C4)CC5=CC=CC=C5
Compound: [1-[5-(2-methylpropoxymethyl)-2-oxo-3-oxolanyl]propan-2-ylideneamino]thiourea
SMILES: CC(C)COCC1CC(C(=O)O1)CC(=NNC(=S)N)C
Compound: 3-amino-N-(2-chlorophenyl)-4-(1-pyrrolidinyl)benzenesulfonamide
SMILES: C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)N
Compound: 2-(2-amino-4H-[1,3,5]triazino[2,1-b][1,3]benzoxazol-4-yl)propanedioic acid diethyl ester
SMILES: CCOC(=O)C(C1N=C(N=C2N1C3=CC=CC=C3O2)N)C(=O)OCC
Compound: N-(4-methylphenyl)-6-(1-pyrazolyl)-3-pyridinecarboxamide
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)N3C=CC=N3
Compound: N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrazinamine
SMILES: CC1=CC=C(O1)C2=C(N3C=CN=CC3=N2)NC4=CC5=C(C=C4)OCO5
Compound: N-(1,3-benzodioxol-5-yl)-5-tert-butyl-2-methyl-3-furancarboxamide
SMILES: CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2=CC3=C(C=C2)OCO3
Compound: 5-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-2-furancarboxamide
SMILES: CC1=CC=C(O1)C(=O)NC2=NC(=CS2)C3=CC=CC=N3
Compound: 6-amino-4-(2,4-dimethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)OC)OC
Compound: [4-(benzenesulfonyl)-1-piperazinyl]-[6-bromo-2-(2-pyridinyl)-4-quinolinyl]methanone
SMILES: C1CN(CCN1C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=N4)S(=O)(=O)C5=CC=CC=C5
Compound: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide
SMILES: C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CCC3=CC=CC=C3
Compound: LSM-26445
SMILES: C1COCCN1CCN2C=NC3=C(C2=N)C(C4=C(O3)C5=CC=CC=C5C=C4)C6=CC=CC=C6
Compound: 2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4,5-dihydropyrano[3,2-c]pyridine-3-carbonitrile
SMILES: CCN1CC2=C(C(=C1)CC3=CC=C(C=C3)OC)OC(=C(C2C4=CC=C(C=C4)OC)C#N)N
Compound: 2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide
SMILES: CC(C)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC(=O)NCC4=CC=CO4
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
SMILES: CC1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC
Compound: 2-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester
SMILES: CC1=CC(=C(C(=O)N1CC(=O)NC2=CC=CC=C2C(=O)OC)C#N)COC
Compound: 3-[[sulfanylidene-[[2,2,2-trichloro-1-[[(3-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid
SMILES: C1=CC(=CC(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O
Compound: 3-(2-bromophenyl)-6-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: COC1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)C4=CC=CC=C4Br
Compound: LSM-26452
SMILES: CC1=CC=C(O1)C(=O)C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)OCC=C
Compound: 2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl ester
SMILES: CCOC(=O)C(=CC1=CNC2=C1C=C(C=C2)S(=O)(=O)N(C)C)C(=O)OCC
Compound: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester
SMILES: C1CN(CCC1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4
Compound: 1-prop-2-enyl-5-[(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CCCN1CCCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)CC=C
Compound: 2-(2-furanyl)-N-(2-oxolanylmethyl)-4-quinolinecarboxamide
SMILES: C1CC(OC1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4
Compound: N-[2-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-2-oxoethyl]-3-(4-methoxyphenyl)-2-propenamide
SMILES: COC1=CC=C(C=C1)C=CC(=O)NCC(=O)NNC=C2C=CC(=O)C=C2O
Compound: 4-hydroxy-2-oxo-1-propyl-N-(pyridin-4-ylmethyl)-3-quinolinecarboxamide
SMILES: CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CC=NC=C3)O
Compound: 8-[2-(2-bromo-3-phenylprop-2-enylidene)hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
SMILES: CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CCO
Compound: 2-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-ethyl-4-quinazolinone
SMILES: CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl
Compound: 2-[9-(4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
SMILES: COC1=CC=C(C=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O
Compound: (-)-sativan
SMILES: COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(OC)c1
Compound: 4-[2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]hydrazinyl]benzenesulfonamide
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC4=CC=C(C=C4)S(=O)(=O)N
Compound: 5-[1-[3-(4-ethylphenoxy)propylamino]ethylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILES: CCC1=CC=C(C=C1)OCCCNC(=C2C(=O)N(C(=O)N(C2=O)C)C)C
Compound: 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILES: CCOC1=CC=CC=C1C2=NC(=NO2)C3=C(N=C(C=C3)C)OC
Compound: N-(1H-indazol-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)C=NN3)C4=CC=CS4
Compound: N-[2,5-diethoxy-4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]-4-methylbenzamide
SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)C)OCC)NC(=S)NC3=CC(=CC=C3)OC
Compound: N,N'-diphenylcarbamimidothioic acid [1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl] ester
SMILES: CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC(=NC3=CC=CC=C3)NC4=CC=CC=C4
Compound: 3-methyl-2-thiophenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
SMILES: CC1=C(SC=C1)C(=O)OCC(=O)N2CCOCC2
Compound: 4-ethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILES: CCOC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)OC)CC3=CC4=C(C=CC(=C4)OC)NC3=O
Compound: 4-(2,3-dihydroindol-1-ylmethyl)-7-ethyl-1-benzopyran-2-one
SMILES: CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC=CC=C43
Compound: [2-[(2,6-dimethyl-4-morpholinyl)-oxomethyl]phenyl]-(1H-imidazol-2-yl)methanone
SMILES: CC1CN(CC(O1)C)C(=O)C2=CC=CC=C2C(=O)C3=NC=CN3
Compound: 5-[1-[(3,5-dimethoxyphenyl)methylamino]ethylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILES: CC(=C1C(=O)NC(=O)N(C1=O)CC=C)NCC2=CC(=CC(=C2)OC)OC
Compound: 4-methyl-N-(2-methyl-5-tetrazolyl)benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NN(N=N2)C
Compound: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
SMILES: CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C
Compound: 1-(1-naphthalenyl)-3-[3-(1-pyrrolidinyl)propyl]urea
SMILES: C1CCN(C1)CCCNC(=O)NC2=CC=CC3=CC=CC=C32
Compound: 8-prop-2-enylsulfonylquinoline
SMILES: C=CCS(=O)(=O)C1=CC=CC2=C1N=CC=C2
Compound: 1-(2,3-dihydroindol-1-yl)-2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]ethanone
SMILES: CSC1=NSC(=N1)SCC(=O)N2CCC3=CC=CC=C32
Compound: 1-(4-methylphenyl)spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
SMILES: CC1=CC=C(C=C1)N2C(=O)C3(CC4=CC=CC=C4N5C3CCC5)C(=O)NC2=O
Compound: N-(2-methoxyphenyl)-2-phenyl-2-(phenylthio)acetamide
SMILES: COC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3
Compound: 2-[[[4-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NCCCCCNC(=O)OC(C)(C)C
Compound: 8-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILES: C1CN(CCC12OCCO2)C3=NC=NC4=C3NC5=C4C=C(C=C5)Cl
Compound: 3-amino-2-cyano-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
SMILES: CC1=C(C(N2C(=C(SC2=N1)C#N)N)C3=CC(=CC=C3)OC)C(=O)OC
Compound: 3-(benzenesulfonyl)-2-imino-1-(2-oxolanylmethyl)-5-dipyrido[1,2-d:3',4'-f]pyrimidinone
SMILES: C1CC(OC1)CN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=CC=C4)C(=O)N5C=CC=CC5=N3
Compound: 4-[[2-(4-methoxyphenyl)-6-imidazo[2,1-b][1,3]benzothiazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N4C=C(N=C4S3)C5=CC=C(C=C5)OC
Compound: N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
SMILES: CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3
Compound: N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide
SMILES: CC1=CC(=NC=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
Compound: 2,4-dimethyl-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide
SMILES: CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)C
Compound: N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide
SMILES: C1=CC(=C(C(=C1)F)OCC2=CC(=NO2)C(=O)NCC3=CC=C(S3)Cl)F
Compound: 5-[(4-chloro-1-pyrazolyl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-furancarboxamide
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl
Compound: 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)-3-pyrazolamine
SMILES: C1=CC(=NC(=C1)F)N2C=C(C(=N2)N)C3=CC=C(C=C3)Cl
Compound: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one
SMILES: CC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC4=C(C=C3)OCCCO4
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-phenylmethoxyphenyl)methylideneamino]-5-propan-2-yl-4-triazolecarboxamide
SMILES: CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4
Compound: 5-(2-furanylmethylidene)-2-methyl-4-oxo-1-phenyl-3-pyrrolecarboxylic acid methyl ester
SMILES: CC1=C(C(=O)C(=CC2=CC=CO2)N1C3=CC=CC=C3)C(=O)OC
Compound: 3-oxo-2,4-dihydroquinoxaline-1-carboxylic acid (phenylmethyl) ester
SMILES: C1C(=O)NC2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3
Compound: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)C3=CC=CS3
Compound: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(1H-imidazol-5-ylsulfonyl)-3-piperidinecarboxamide
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CN=CN4
Compound: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile
SMILES: COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N)OC
Compound: 3-(2-oxolanylmethylthio)-5,6-diphenyl-1,2,4-triazine
SMILES: C1CC(OC1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
Compound: N-(4-fluorophenyl)-2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetamide
SMILES: CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)F)OC4=CC=CC=C42
Compound: [4-[2-(3-chlorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone
SMILES: CC1=NC2=CC(=NN2C(=C1)N3CCN(CC3)C(=O)C4=CC=CO4)C5=CC(=CC=C5)Cl
Compound: 2-(methylthio)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILES: CSC1=NN2C=C3C(=NC2=N1)CC(CC3=O)C4=CC=CC=C4
Compound: 2-(4-ethylanilino)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-thiazolone
SMILES: CCC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C(=C3)OC)O)OC)S2
Compound: 2-bromobenzoic acid [[amino-(4-nitrophenyl)methylidene]amino] ester
SMILES: C1=CC=C(C(=C1)C(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N)Br
Compound: 1-(2,5-dimethoxyphenyl)-3-[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]urea
SMILES: CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=C(C=CC(=C3)OC)OC
Compound: LSM-26505
SMILES: CC1=CC(N2C3=C1C=CC=C3C4(C2=O)C5=C(C=C(C=C5)O)OC(=C4C#N)N)(C)C
Compound: 5-(2-furanyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILES: C1C(N=C2C=C(NN2C1C(F)(F)F)C(=O)O)C3=CC=CO3
Compound: 4-[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C
Compound: 2-[[5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone
SMILES: COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C(=CC=C4)OC
Compound: 6-(2-naphthalenylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILES: C1CC2=CC=CC=C2C(=O)C(=CC3=CC4=CC=CC=C4C=C3)C1
Compound: 6-[4-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone
SMILES: CC(=C)COC1=CC(=O)C(=C2C(=CNN2)C3=CC=C(C=C3)OC)C=C1
Compound: 2-(4-chlorophenyl)-5-[2-(2-pyridinyl)ethylamino]-4-oxazolecarbonitrile
SMILES: C1=CC=NC(=C1)CCNC2=C(N=C(O2)C3=CC=C(C=C3)Cl)C#N
Compound: N-[2-(1-azepanyl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide
SMILES: CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)CC(=O)N2CCCCCC2
Compound: 5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide
SMILES: CCC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CC=CC=N3
Compound: 4-chloro-N-[4-[3-(methylthio)anilino]-4-oxobutyl]benzamide
SMILES: CSC1=CC=CC(=C1)NC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl
Compound: N-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
SMILES: CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)C
Compound: 7-(3,5-dimethyl-1-pyrazolyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILES: CC1=CC(=NN1C2=CC(=NC3=C(C=NN23)C4=CC=CC=C4)C)C
Compound: N-(1-butyl-2-benzimidazolyl)cyclohexanecarboxamide
SMILES: CCCCN1C2=CC=CC=C2N=C1NC(=O)C3CCCCC3
Compound: N-(2-methoxy-3-dibenzofuranyl)-2-(4-methoxyphenoxy)acetamide
SMILES: COC1=CC=C(C=C1)OCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC
Compound: 5-methoxy-N-(1-methoxypropan-2-yl)-1H-indole-2-carboxamide
SMILES: CC(COC)NC(=O)C1=CC2=C(N1)C=CC(=C2)OC
Compound: N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide
SMILES: CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3
Compound: N-(2-hydroxyethyl)-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
SMILES: CC1=CC2=C(C=C1)N3C(=C4C=CC(=CC4=N3)C(=O)NCCO)OC2
Compound: 2-(4-fluoro-3-methylphenyl)sulfonyl-5-(2-methoxyphenyl)-3-pyrazolamine
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)N2C(=CC(=N2)C3=CC=CC=C3OC)N)F