MonarchInit/C3PO huggingface dataset:
Compound: N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[(5-phenyl-3-isoxazolyl)methyl]-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)CC3=NOC(=C3)C4=CC=CC=C4
Compound: 1-(2,5-difluorophenyl)-3-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=N4
Compound: 3-phenyl-5-(2-phenylphenyl)-1,2,4-oxadiazole
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=C4
Compound: LSM-23565
SMILES: C1CN2C3=C(C=CC=C31)C(=C(C2=O)C(=O)NCCC4=CC=CC=C4)O
Compound: N'-[2,6-bis(4-morpholinyl)-4-pyrimidinyl]-2,4-dichlorobenzohydrazide
SMILES: C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NNC(=O)C4=C(C=C(C=C4)Cl)Cl
Compound: N-(3,5-dimethoxyphenyl)-4-(3-phenylprop-2-enyl)-1-piperazinecarbothioamide
SMILES: COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3)OC
Compound: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic acid (2-anilino-2-oxoethyl) ester
SMILES: CN(CC(=O)OCC(=O)NC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl
Compound: 3-benzoyl-1,5-bis(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
SMILES: COC1=CC=CC=C1N2C3C(C(=N2)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5OC
Compound: 7-(4-quinazolinyloxymethyl)-5-thiazolo[3,2-a]pyrimidinone
SMILES: C1=CC=C2C(=C1)C(=NC=N2)OCC3=CC(=O)N4C=CSC4=N3
Compound: 1-methyl-2-oxo-N-(2-pyridinyl)-6-benzo[cd]indolesulfonamide
SMILES: CN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC=CC=N4)C=CC=C3C1=O
Compound: N-[4-[(4-hydroxyphenyl)-methylsulfamoyl]phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)O
Compound: 3-(4-methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
SMILES: CC1=NC2=C(C(=NN2C(=C1)C3=CC=CC=C3)C)C4=CC=C(C=C4)OC
Compound: 5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole
SMILES: C1CCC(CC1)N2C(=NN=N2)SCC3=NC(=NO3)C4=CC=CC=C4
Compound: carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
SMILES: COC1=CC=CC=C1NC(=O)CSC(=O)N
Compound: N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide
SMILES: CC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)NC(=O)C
Compound: 8-anilino-1,3-dimethyl-7H-purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3
Compound: N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamide
SMILES: CCN1C2=C3C(=C(C=C2)NC(=O)C4=CC=CC=C4)C=CC=C3C1=O
Compound: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-ethylbenzimidazole
SMILES: CCN1C2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 6-chloro-3-[5-(2,3-dimethoxyphenyl)-1-methylsulfonyl-3-pyrazolidinylidene]-4-phenyl-2-quinolinone
SMILES: COC1=CC=CC(=C1OC)C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Cl)C5=CC=CC=C5)NN2S(=O)(=O)C
Compound: 1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
SMILES: CC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)O)O)C3=CC=CC=C3
Compound: N-(3-fluorophenyl)-2-(9-oxo-10-acridinyl)acetamide
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)NC4=CC(=CC=C4)F
Compound: 2-[[2-furanyl(oxo)methyl]hydrazo]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NNC(=O)C2=CC=CO2
Compound: 5-methyl-4-[(1-methyl-3-indolyl)methylidene]-2-phenyl-3-pyrazolone
SMILES: CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)C)C4=CC=CC=C4
Compound: 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole
SMILES: CC(=C)CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC
Compound: 4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
SMILES: CC1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)F
Compound: N-[3-(1-naphthalenylamino)-3-oxo-1-phenylpropyl]benzamide
SMILES: C1=CC=C(C=C1)C(CC(=O)NC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CC=C4
Compound: N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydrothiazole-4-carboxamide
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)C2CSC(=N2)C3=CC=NC=C3
Compound: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
SMILES: C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
Compound: N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxamide
SMILES: C1CN(CCC1C2=NC(=NO2)C3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)Cl
Compound: 5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole
SMILES: CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=CC=C2F
Compound: 3-[4-methyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone
SMILES: CN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SC
Compound: 2-[2-(4-chlorophenyl)ethenyl]-4-(2-furanylmethylidene)-5-oxazolone
SMILES: C1=COC(=C1)C=C2C(=O)OC(=N2)C=CC3=CC=C(C=C3)Cl
Compound: 3,3-bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone
SMILES: CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)O)C
Compound: 4-[[2-(5-chloro-1,3-benzoxazol-2-yl)-3-oxoprop-1-enyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILES: CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC=C(C=O)C3=NC4=C(O3)C=CC(=C4)Cl
Compound: 4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC(=O)C3=CC=C(C=C3)Cl
Compound: 3-methoxybenzoic acid [[1-amino-2-(4-chlorophenyl)ethylidene]amino] ester
SMILES: COC1=CC=CC(=C1)C(=O)ON=C(CC2=CC=C(C=C2)Cl)N
Compound: 1-[3-(4-morpholinyl)propyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
SMILES: C1COCCN1CCCN(CC2=CC3=CC4=C(C=C3NC2=O)OCCO4)C(=O)NC5=CC=CC=C5
Compound: 1,3-dimethyl-8-(3-methyl-1-piperidinyl)-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]purine-2,6-dione
SMILES: CC1CCCN(C1)C2=NC3=C(N2CCSC4=NN=C(S4)C)C(=O)N(C(=O)N3C)C
Compound: 2-tert-butyl-N-(phenylmethyl)-4-pyridinecarboxamide
SMILES: CC(C)(C)C1=NC=CC(=C1)C(=O)NCC2=CC=CC=C2
Compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide
SMILES: CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-]
Compound: LSM-23602
SMILES: CCOCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C)C
Compound: 4-[5-amino-3-oxo-4-(4-oxo-1H-quinazolin-2-yl)-2H-pyrrol-1-yl]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3
Compound: 4-[[1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)N4CCN(CC4)C(=O)OCC
Compound: N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)-4-(1-pyrrolidinylsulfonyl)benzamide
SMILES: CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5
Compound: 4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenol
SMILES: CC1=CC(=CC=C1)NC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)O
Compound: 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzamide
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4
Compound: N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-thiophenecarboxamide
SMILES: CCCCN(C(C1=CC=NC=C1)C(=O)NC2CCCC2)C(=O)CNC(=O)C3=CC=CS3
Compound: N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILES: CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC4=CC=C(C=C4)F
Compound: 5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole
SMILES: CCCCCOC1=CC=C(C=C1)CSC2=NNC(=N2)C
Compound: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)OCCO3
Compound: (2,5-dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone
SMILES: CC1=CC(=C(C=C1)C)C(=O)C2=C(N=C3N2C=CS3)C
Compound: 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILES: COC1=CC=CC=C1C2=NOC(=N2)C3=CC(=CC(=C3)OC)OC
Compound: N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
SMILES: COC1=CC=CC(=C1)C2=NN=C(S2)NC(=O)C3=CC=CS3
Compound: N-[4-(diethylamino)-2-methylphenyl]-2-[(2-nitro-3-thiophenyl)thio]acetamide
SMILES: CCN(CC)C1=CC(=C(C=C1)NC(=O)CSC2=C(SC=C2)[N+](=O)[O-])C
Compound: N'-[[1-[(4-methoxyphenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzohydrazide
SMILES: COC1=CC=C(C=C1)CN2C(=O)C(=CNNC(=O)C3=CC=CC=C3)C(=O)NC2=O
Compound: 1-(2,4-dimethylphenyl)-3-[2-[(4-methylphenyl)thio]ethyl]thiourea
SMILES: CC1=CC=C(C=C1)SCCNC(=S)NC2=C(C=C(C=C2)C)C
Compound: N-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]
Compound: 2-(4-methyl-3H-thiazol-2-ylidene)-2-nitrosoacetonitrile
SMILES: CC1=CSC(=C(C#N)N=O)N1
Compound: 4-hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester
SMILES: C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)O
Compound: 2-[3-(2-furanylmethyl)-4-imino-6,6-dimethyl-2-oxo-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-1-yl]-N-phenylacetamide
SMILES: CC1(CC2=C(CO1)SC3=C2C(=N)N(C(=O)N3CC(=O)NC4=CC=CC=C4)CC5=CC=CO5)C
Compound: N-[(5-chloro-2-nitrophenyl)methylideneamino]-4-ethoxybenzamide
SMILES: CCOC1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]
Compound: 4-[[(4-acetyloxy-3-methoxyphenyl)-oxomethyl]amino]benzoic acid
SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)OC
Compound: 2-[[(4-acetyloxy-3-methoxyphenyl)-oxomethyl]amino]-5-hydroxybenzoic acid
SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)O)C(=O)O)OC
Compound: 1-[(2,4-dimethylphenyl)methylideneamino]-3-prop-2-enylthiourea
SMILES: CC1=CC(=C(C=C1)C=NNC(=S)NCC=C)C
Compound: 4-[3-[(3-chlorophenyl)methyl]-7-oxo-2H-triazolo[4,5-d]pyrimidin-5-yl]-N-(3-cyanophenyl)-1-piperidinecarboxamide
SMILES: C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC(=CC=C4)Cl)C(=O)NC5=CC=CC(=C5)C#N
Compound: 2-hydroxy-N-[(1-methyl-2-oxo-3-indolylidene)amino]benzamide
SMILES: CN1C2=CC=CC=C2C(=NNC(=O)C3=CC=CC=C3O)C1=O
Compound: N-cycloheptyl-2-(cyclohexylamino)-2-sulfanylideneacetamide
SMILES: C1CCCC(CC1)NC(=O)C(=S)NC2CCCCC2
Compound: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide
SMILES: CC1=CC(=NO1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)OC
Compound: N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3
Compound: 2-[(2-cyanophenyl)thio]-N-[4-[dimethylamino(oxo)methyl]phenyl]benzamide
SMILES: CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N
Compound: 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium
SMILES: Cc1ncc(C[n+]2ccccc2)c(N)n1
Compound: 1-cyclohexyl-5-[1-(2,4-dimethoxyanilino)ethylidene]-1,3-diazinane-2,4,6-trione
SMILES: CC(=C1C(=O)NC(=O)N(C1=O)C2CCCCC2)NC3=C(C=C(C=C3)OC)OC
Compound: 1-[(1,2-dimethyl-5-indolyl)methyl]-3-(phenylmethyl)thiourea
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNC(=S)NCC3=CC=CC=C3
Compound: 1-(3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Compound: 1-(2-furanylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
SMILES: COC1=CC(=CC(=C1OC)OC)C=NNC(=S)NCC2=CC=CO2
Compound: 2-[(2-furanylmethylthio)methyl]-5-methylimidazo[1,2-a]pyridine
SMILES: CC1=CC=CC2=NC(=CN12)CSCC3=CC=CO3
Compound: 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide
SMILES: C1CC(=NC1)NNC(=O)C2=CC=C(C=C2)Br
Compound: 1-tert-butyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone
SMILES: CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCCC3
Compound: 3-[(3-chlorophenyl)methylthio]-N-cyclopentylpropanamide
SMILES: C1CCC(C1)NC(=O)CCSCC2=CC(=CC=C2)Cl
Compound: 3-phenyl-2H-1,4-benzoxazine
SMILES: C1C(=NC2=CC=CC=C2O1)C3=CC=CC=C3
Compound: 4-chloro-3-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)CN3CCN(CC3)CCO
Compound: N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]cyclopropanecarboxamide
SMILES: CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2CC2)C#N
Compound: 2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide
SMILES: C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NS(=O)(=O)C3=CC=C(S3)Cl
Compound: 2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[2-(methylthio)phenyl]acetamide
SMILES: CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC=C3SC
Compound: LSM-23645
SMILES: CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C(C#N)C3=NC4=CC=CC=C4N3
Compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-2-propenamide
SMILES: COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F
Compound: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethanone
SMILES: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NNC(=C5C=NC6=CC=CC=C65)O4
Compound: N-[(4-tert-butylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILES: CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OCC(=O)N3
Compound: N4-(2-methoxyphenyl)benzene-1,4-diamine
SMILES: COC1=CC=CC=C1NC2=CC=C(C=C2)N
Compound: N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-methoxybenzamide
SMILES: COC1=CC=C(C=C1)C(=O)NN=C(CC2=NC=CN2)C3=CC=CC=C3
Compound: 1-(4-chlorophenyl)-3-(4-sulfamoylphenyl)urea
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)N
Compound: 6-(cyclohexylamino)-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
SMILES: CN1C(=O)C(=C(NC1=O)NC2CCCCC2)N=O
Compound: 3-(2-furanyl)-N-[3-(2-furanyl)-4-methylpentyl]-4-phenylbutanamide
SMILES: CC(C)C(CCNC(=O)CC(CC1=CC=CC=C1)C2=CC=CO2)C3=CC=CO3
Compound: 4-[oxo-(pyridin-4-ylamino)methyl]-1H-imidazole-5-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=CN1)C(=O)NC2=CC=NC=C2
Compound: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(N(N=C2C)C3=CC=CC=C3)C
Compound: 2-[[2-furanyl(oxo)methyl]amino]benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester
SMILES: C1CCC(CC1)CNC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
Compound: 1-(5-bromo-2-pyridinyl)-3-(2-methoxy-5-methylphenyl)urea
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)NC2=NC=C(C=C2)Br
Compound: 1-[2,4-dimethyl-5-[2-[(phenylmethyl)amino]-4H-1,3,4-thiadiazin-5-ylidene]-3-pyrrolyl]ethanone
SMILES: CC1=C(C(=NC1=C2CSC(=NN2)NCC3=CC=CC=C3)C)C(=O)C
Compound: N-[4-(4-morpholinylazo)phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)N=NN2CCOCC2
Compound: 2-[[2-[(2-methoxy-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]oxy]acetic acid methyl ester
SMILES: COC(=O)CON1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[[4-(diethylamino)phenyl]methylideneamino]urea
SMILES: CCN(CC)C1=CC=C(C=C1)C=NNC(=O)NC2=NON=C2N
Compound: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILES: CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC(=C3)OC)OC
Compound: 4-(4-methyl-1-piperazinyl)-2,6-diphenyl-5-pyrimidinecarbonitrile
SMILES: CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)C4=CC=CC=C4
Compound: 1-[4-(4-morpholinyl)phenyl]-3-thiophen-2-yl-2-propen-1-one
SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)C=CC3=CC=CS3
Compound: N-decyl-N'-(2-pyridinyl)oxamide
SMILES: CCCCCCCCCCNC(=O)C(=O)NC1=CC=CC=N1
Compound: 2-[[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC(=O)NC4=NOC(=C4)C)C(=O)N(C(=O)N3C)C
Compound: 4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidine
SMILES: C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=NC=NC5=C4OC6=CC=CC=C65
Compound: N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
SMILES: CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NCC3=CC=C(C=C3)Cl)C
Compound: 3-[(4-methoxyphenyl)hydrazo]-2-nitroso-N-phenyl-2-butenamide
SMILES: CC(=C(C(=O)NC1=CC=CC=C1)N=O)NNC2=CC=C(C=C2)OC
Compound: N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)-1-benzimidazolyl]acetamide
SMILES: C1=CC=C2C(=C1)N=C(N2CC(=O)NCCC3=CC=C(C=C3)F)NCCO
Compound: 4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=CS3)Cl
Compound: 2-chloro-N-[4-[(3,4-dimethylphenyl)thio]phenyl]acetamide
SMILES: CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCl)C
Compound: (2S,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILES: C1CCC(CC1)[C@H]2C[C@H](OC(=C2)C(=O)NCC3=NC4=CC=CC=C4N3)OCC5=CC=C(C=C5)CO
Compound: 1-ethyl-N-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-5-benzimidazolamine
SMILES: CCN1C=NC2=C1C=CC(=C2)NCC3=NC4=CC=CC=C4N3CC5=CC=CC=C5
Compound: 2-methoxy-4-(methylthio)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
SMILES: COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2CC2
Compound: 3-(benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
SMILES: COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
Compound: 4-methyl-N-(8-quinolinyl)benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3
Compound: 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
SMILES: COC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43
Compound: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea
SMILES: CC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3
Compound: 6-[2-(2,6-dichlorophenyl)ethenyl]-4,4-dimethyl-2-(methylthio)-1H-pyrimidine
SMILES: CC1(C=C(NC(=N1)SC)C=CC2=C(C=CC=C2Cl)Cl)C
Compound: 2-(phenylthio)acetic acid [[amino-(4-methylphenyl)methylidene]amino] ester
SMILES: CC1=CC=C(C=C1)C(=NOC(=O)CSC2=CC=CC=C2)N
Compound: 2-methyl-3-(phenylmethylthio)-1H-indole
SMILES: CC1=C(C2=CC=CC=C2N1)SCC3=CC=CC=C3
Compound: 2-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid butyl ester
SMILES: CCCCOC(=O)CSCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)F
Compound: 2-(4-fluorophenyl)-5-(4-methoxyanilino)-4-oxazolecarbonitrile
SMILES: COC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)F)C#N
Compound: N-[5-[2-(4-morpholinyl)ethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILES: C1CCC(CC1)C(=O)NC2=NN=C(S2)CCN3CCOCC3
Compound: [4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
SMILES: CC(C)NC1=NC(=NC(=N1)Cl)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N
Compound: 2-(1-adamantyl)-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]acetamide
SMILES: CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CC34CC5CC(C3)CC(C5)C4
Compound: N-[[[(4-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=COC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)F
Compound: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide
SMILES: CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCC3CCCO3)C4=CC=C(C=C4)Br)N
Compound: 1-[4-(4-fluorophenyl)-1-piperazinyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propen-1-one
SMILES: C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Compound: N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
SMILES: CC1=CC(=CC=C1)OCCCC(=O)NC2=NC3=CC=CC=C3N2
Compound: 2-[[2-(3,5-dimethyl-1-pyrazolyl)-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-thiazolyl)acetamide
SMILES: CC1=CC(=NN1C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC(=O)NC5=NC=CS5)C
Compound: 2-[[[3-methyl-4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid
SMILES: CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]
Compound: 4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazole
SMILES: CCOC1=CC=C(C=C1)C2=CN(C(=N2)SC)C3=CC=C(C=C3)OC
Compound: N-(5-tert-butyl-3-isoxazolyl)-3-nitrobenzamide
SMILES: CC(C)(C)C1=CC(=NO1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Compound: 5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)OC
Compound: N-[(3-nitrophenyl)methylideneamino]-4-oxo-1H-quinazoline-2-carboxamide
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]
Compound: N'-[(4-methoxyphenyl)methyl]-N-phenylcarbamimidothioic acid (2,5-dioxo-3-pyrrolidinyl) ester
SMILES: COC1=CC=C(C=C1)CN=C(NC2=CC=CC=C2)SC3CC(=O)NC3=O
Compound: 6-amino-4-(2-furanyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CC(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CO3
Compound: N-[[5-(2-nitrophenyl)-2-furanyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
SMILES: C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]
Compound: N,4-bis(3-pyridinyl)-2-thiazolamine
SMILES: C1=CC(=CN=C1)C2=CSC(=N2)NC3=CN=CC=C3
Compound: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]-N-(5-methyl-2-thiazolyl)acetamide
SMILES: CC1=CN=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N
Compound: 2-[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoic acid
SMILES: COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O)O
Compound: N-(6-chloro-1,3-benzothiazol-2-yl)-2-diphenylphosphorylacetamide
SMILES: C1=CC=C(C=C1)P(=O)(CC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C4=CC=CC=C4
Compound: 3-ethyl-1-(2-furanylmethyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea
SMILES: CCNC(=S)N(CC1=CC=CO1)CC2=CC3=CC4=C(C=C3NC2=O)OCCO4
Compound: 3,4,5-trimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
Compound: 2-[3-(2-furanylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-5-thiazolidinyl]-N-(2-methoxyphenyl)acetamide
SMILES: COC1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=CC=C3OC)CC4=CC=CO4
Compound: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-3-methyl-2-thiophenecarboxamide
SMILES: CC1=C(SC=C1)C(=O)NC2=CC(=C3NC4=CC=CC=C4S3)C(=O)C=C2
Compound: 3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-cyano-N-propan-2-yl-2-propenamide
SMILES: CC(C)NC(=O)C(=CC1=CC(=C(C(=C1)Cl)O)OC)C#N
Compound: 3-[(2,4-dichlorophenyl)methylthio]-1,2,4-thiadiazol-5-amine
SMILES: C1=CC(=C(C=C1Cl)Cl)CSC2=NSC(=N2)N
Compound: 4-(4-bromophenyl)-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=C(C=C3)Br
Compound: 1-(2-methoxy-3-dibenzofuranyl)-3-(3-methylphenyl)thiourea
SMILES: CC1=CC(=CC=C1)NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC
Compound: N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILES: COC1=CC(=C(C=C1)C2=NN=C(S2)NC(=O)CC3=CC=CC=C3)OC
Compound: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-(1-methyl-3-indolyl)ethanone
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3=CN(C4=CC=CC=C43)C)C
Compound: 5-methyl-N-(1-pyridin-4-ylethylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILES: CC1CCC2=C(C1)C=C(S2)C(=O)NN=C(C)C3=CC=NC=C3
Compound: benzoic acid [2-[3-(2-benzofuranyl)-3-oxoprop-1-enyl]phenyl] ester
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=CC(=O)C3=CC4=CC=CC=C4O3
Compound: [1-(4,5-diphenyl-2-thiophenyl)ethylideneamino]thiourea
SMILES: CC(=NNC(=S)N)C1=CC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3
Compound: 3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid
SMILES: CC1=NN(C(=C1C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)Cl)C4=CC=CC=C4
Compound: N-(2-bromophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILES: CCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NCC(=O)NC2=CC=CC=C2Br
Compound: 5-(3-indolylidene)-N-(1-methoxypropan-2-yl)-4H-1,3,4-thiadiazin-2-amine
SMILES: CC(COC)NC1=NNC(=C2C=NC3=CC=CC=C32)CS1
Compound: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILES: C1CN(CC2=CC=CC=C21)CCCNC(=O)CCN3C(=O)COC4=CC=CC=C43
Compound: 4-amino-3-phenyl-2-sulfanylidene-5-thiazolecarboxylic acid methyl ester
SMILES: COC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)N
Compound: 2-(2-furanyl)-5-methyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILES: CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=CO3)CC4=CC=CC=C4
Compound: 5-bromo-3-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)C
Compound: N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-furancarboxamide
SMILES: CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1CCNC(=O)C4=CC=CC=C4
Compound: [(2S,4S)-4-(4-bromophenyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C[C@H](C[C@H](O3)OCC4=CC=C(C=C4)CO)C5=CC=C(C=C5)Br
Compound: 9-chloro-6-methylindolo[3,2-b]quinoxaline
SMILES: CN1C2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C31
Compound: 1-(1-tert-butyl-5-tetrazolyl)-N-(2-furanylmethyl)-N-(phenylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
SMILES: CC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)C(F)(F)F)N(CC3=CC=CC=C3)CC4=CC=CO4
Compound: N2-(4-fluorophenyl)-6-(3-methyl-2-benzofuranyl)-1,3,5-triazine-2,4-diamine
SMILES: CC1=C(OC2=CC=CC=C12)C3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N
Compound: 6-amino-5-[2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILES: CC(C1=NN=C(N1C2=CC=C(C=C2)Cl)SCC(=O)C3=C(N(C(=O)N(C3=O)C)C)N)N(C)C
Compound: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester
SMILES: CC1CN(CC(O1)C)C(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F
Compound: 2-(methylamino)benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester
SMILES: CNC1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)F
Compound: N-(2-ethylphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILES: CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C)OC
Compound: 3-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-3-(4-methylphenyl)-1-pyrazolyl]propanoic acid
SMILES: CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)Br)CCC(=O)O
Compound: N-(2,3-dihydroinden-1-ylideneamino)-2-nitroaniline
SMILES: C1CC(=NNC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C31
Compound: 3-bromo-N-[2-[(3R,6S)-6-[(4-methoxyphenyl)methyl]-3-(phenylmethyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]-4-methylbenzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NCCN2[C@H](CN3C2=NC[C@H]3CC4=CC=CC=C4)CC5=CC=C(C=C5)OC)Br
Compound: N-[2-[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]oxyphenyl]acetamide
SMILES: CC1CC(CN(C1)C(=O)C(C)OC2=CC=CC=C2NC(=O)C)C
Compound: N-[2-(1-cyclohexenyl)ethyl]-5-methyl-3-isoxazolecarboxamide
SMILES: CC1=CC(=NO1)C(=O)NCCC2=CCCCC2
Compound: 4-amino-3-(4-ethoxyphenyl)-N-(2-oxolanylmethyl)-2-sulfanylidene-5-thiazolecarboxamide
SMILES: CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3CCCO3)N
Compound: N,N-dimethylsulfamic acid [3-[(4-methoxyanilino)-oxomethyl]phenyl] ester
SMILES: CN(C)S(=O)(=O)OC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC
Compound: N-[(2-chlorophenyl)-(2-hydroxy-1-naphthalenyl)methyl]butanamide
SMILES: CCCC(=O)NC(C1=CC=CC=C1Cl)C2=C(C=CC3=CC=CC=C32)O
Compound: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2CCC4=CC(=C(C=C4)OC)OC)SC=C3
Compound: 1-[4-[4-[[1-(4-chlorophenyl)sulfonylcyclopropyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone
SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl
Compound: N'-[(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide
SMILES: C1C(OC2=CC=CC=C2O1)C(=O)NNC=C3C=CC=C(C3=O)[N+](=O)[O-]
Compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea
SMILES: CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCC3=CC(=C(C=C3)OC)OC)C(=S)NC)C
Compound: N-[2-methyl-4-oxo-3-(phenylmethyl)-7-(1-piperidinyl)-6-quinazolinyl]-3-pyridinecarboxamide
SMILES: CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4)N5CCCCC5
Compound: N-[(benzenesulfonylhydrazo)-sulfanylidenemethyl]-4-methylbenzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC(=S)NNS(=O)(=O)C2=CC=CC=C2
Compound: 2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone
SMILES: CC1=C(C(=CC=C1)OCC2=NN=C(N2C)SCC(=O)C3=CC=CS3)C
Compound: 2-[[(6-bromo-1H-benzimidazol-2-yl)thio]methyl]-1-methylbenzimidazole
SMILES: CN1C2=CC=CC=C2N=C1CSC3=NC4=C(N3)C=C(C=C4)Br
Compound: 2-ethyl-3-[(4-methoxyphenyl)methyl][1]benzopyrano[2,3-d]pyrimidine-4,5-dione
SMILES: CCC1=NC2=C(C(=O)C3=CC=CC=C3O2)C(=O)N1CC4=CC=C(C=C4)OC
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-triazolecarboxamide
SMILES: CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)OC
Compound: 1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone
SMILES: CC1=CC=C(C=C1)C(=O)CSC2=NC=NN2
Compound: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[5-[(4-methylphenyl)sulfonylmethyl]-2-furanyl]methanone
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C
Compound: 2-(4-methoxyphenyl)-4,5-dioxo-1-(4-sulfamoylphenyl)-3-pyrrolidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1C(N(C(=O)C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)OC
Compound: 2-(4,5-dihydrothiazol-2-ylthio)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acetamide
SMILES: CCSC1=NN=C(S1)NC(=O)CSC2=NCCS2
Compound: 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(4-methyl-2-thiazolyl)acetamide
SMILES: CC1=CC2=C(C=C1)N=C(N2)C3=CN=C(C=C3)SCC(=O)NC4=NC(=CS4)C
Compound: 1-(4-fluorophenyl)-N-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
SMILES: CNC(=S)N1CCN2C=CC=C2C1C3=CC=C(C=C3)F
Compound: [3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone
SMILES: CC1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CC=CS3
Compound: 1-cyclopentyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea
SMILES: CCNC(=S)N(CC1=CC2=C(C=CC(=C2NC1=O)C)C)C3CCCC3
Compound: 4-(4-fluorophenyl)-3H-thiazole-2-thione
SMILES: C1=CC(=CC=C1C2=CSC(=S)N2)F
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCCO4
Compound: 4-methyl-N-[5-[2-[2-[[1-[(4-methylphenyl)methyl]-3-indolyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILES: CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=O)CC4=NN=C(S4)NC(=O)C5=CC=C(C=C5)C
Compound: 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(CCO)CCO
Compound: N,N-diethyl-2-[(4-fluorophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide
SMILES: CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(C=C3)F
Compound: N-[(3-acetylanilino)-sulfanylidenemethyl]-3-chlorobenzamide
SMILES: CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl
Compound: 2-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxo)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILES: C1CC2=C(C1)SC(=C2)C(=O)N3C(=O)C4=CC=CC=C4S3(=O)=O
Compound: 1-[4-(4-hydroxyphenyl)-1-piperazinyl]-3-(1H-indol-3-yl)-1-propanone
SMILES: C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCC3=CNC4=CC=CC=C43
Compound: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide
SMILES: CC1=CC(=C2C=C(NN2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC(=CC(=N4)C)C)C(=O)C=C1
Compound: 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C=C(S1)NC2=NC3=C(S2)C=C(C=C3)OC)C
Compound: 3,4,5-trimethoxy-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]benzamide
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3
Compound: 3-(2,4-dimethoxyphenyl)-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide
SMILES: COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)OC
Compound: 2-[[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester
SMILES: CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC
Compound: N-(3,4-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C
Compound: [4-(2-hydroxyethyl)-1-piperazinyl]-(4-phenylphenyl)methanethione
SMILES: C1CN(CCN1CCO)C(=S)C2=CC=C(C=C2)C3=CC=CC=C3
Compound: 2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-(3-pyridinyl)-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl ester
SMILES: CC1=CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CN=CC=C3)C(=O)N1CCC4=CC=CC=C4
Compound: 2-[(4-hydroxyphenyl)methylidene]-3-oxo-7-phenyl-5-thiophen-2-yl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(C=C4)O)S2)C5=CC=CC=C5
Compound: N-[3-[3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]propanamide
SMILES: CCC(=O)NC1=CC=CC(=C1)C(=O)C=CC2=C(C=CC(=C2)Br)OC
Compound: N-(2-furanylmethyl)-2-(6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-d]pyrimidin-4-ylthio)acetamide
SMILES: C1CCC2=C(CC1)SC3=C2C(=NC=N3)SCC(=O)NCC4=CC=CO4
Compound: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone
SMILES: CCCC1=NC2=CC=CC=C2C(=N1)SCC(=O)N3CCC4=CC=CC=C4C3
Compound: 3-(4-tert-butylphenyl)-N-(4,5-dihydrothiazol-2-yl)-2-propenamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=NCCS2
Compound: 3,4-dimethoxy-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILES: CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=C(C=C3)OC)OC
Compound: 2-[[[[[5-[(4-chloro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl
Compound: 4-(dimethylsulfamoyl)-N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CC=CO3
Compound: 5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione
SMILES: CN1C2=NC3(CCCCC3)ON=C2C(=O)N(C1=O)C
Compound: 1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC(=C(C=C2)OC)OC
Compound: 5-[2-[1-(1,3-benzodioxol-5-yl)ethylidene]hydrazinyl]-2-chlorobenzoic acid
SMILES: CC(=NNC1=CC(=C(C=C1)Cl)C(=O)O)C2=CC3=C(C=C2)OCO3
Compound: 1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-oxolanylmethyl)thiourea
SMILES: CC1=CC2=C(C=C1C)N=C(N2)CCN(C3CCCC3)C(=S)NCC4CCCO4
Compound: 4-(1-methyl-3-indolyl)-N-propan-2-ylbutanamide
SMILES: CC(C)NC(=O)CCCC1=CN(C2=CC=CC=C21)C
Compound: N2-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine
SMILES: C1=CC=C(C=C1)C2=CC(=NN2)NC3=CC=CC=C3N
Compound: 2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile
SMILES: CCOP(=O)(C(=C1SCN(CS1)C2=CC=C(C=C2)Cl)C#N)OCC
Compound: 3-ethoxy-N-(2-thiazolyl)benzamide
SMILES: CCOC1=CC=CC(=C1)C(=O)NC2=NC=CS2
Compound: (5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine
SMILES: CCCC[C@@H]1CN=C(N1CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N
Compound: 3-ethyl-2-sulfanylidene-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidin-4-one
SMILES: CCN1C(=O)C2=C(NC1=S)SC=C2C3=CC=CS3
Compound: N-(1-naphthalenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)C3C4=CC=CC=C4NC3=O
Compound: 1-[[4-(2-methylpropoxy)phenyl]methyl]-3-[(4-nitrophenyl)methylideneamino]thiourea
SMILES: CC(C)COC1=CC=C(C=C1)CNC(=S)NN=CC2=CC=C(C=C2)[N+](=O)[O-]
Compound: N-[1-(2-methoxyphenyl)-5-benzimidazolyl]benzenesulfonamide
SMILES: COC1=CC=CC=C1N2C=NC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4
Compound: 3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1H-indole-2-carboxylic acid methyl ester
SMILES: COC1=CC=C(C=C1)N2C(=O)C(=CC3=C(NC4=CC=CC=C43)C(=O)OC)C(=O)NC2=O
Compound: N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
SMILES: CCN1C(=C(C=N1)C2=NOC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)C
Compound: N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-3-pyridinecarboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)Cl
Compound: 2,2-dimethyl-3,4a-dihydro-1H-phenothiazin-4-one
SMILES: CC1(CC2=NC3=CC=CC=C3SC2C(=O)C1)C
Compound: N-[(3-acetylanilino)-sulfanylidenemethyl]-5-bromo-3-pyridinecarboxamide
SMILES: CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br
Compound: cyclopropanecarboxylic acid [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenyl] ester
SMILES: CCOC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)C)N)C#N)OC(=O)C4CC4
Compound: 2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-d]pyrimidin-1-one
SMILES: C1CC2=C(C1)SC3=C2C(=O)NC=N3
Compound: 2-[(4-fluorophenyl)methylthio]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILES: CC1=CC=CC=C1C2=NN=C(O2)SCC3=CC=C(C=C3)F
Compound: N-[3-(diethylsulfamoyl)phenyl]-3-(3-nitrophenyl)-2-propenamide
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]
Compound: 2-(2-chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile
SMILES: CNC1=C(N=C(O1)C2=CC=CC=C2Cl)C#N
Compound: 4,6-bis(2-phenylethenyl)pyrimidine
SMILES: C1=CC=C(C=C1)C=CC2=CC(=NC=N2)C=CC3=CC=CC=C3
Compound: 3-[[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCC(CC3)CN4C(=O)C5=CC=CC=C5NC4=S
Compound: 1-(3-chloropropyl)-5-[[(2-chloro-3-pyridinyl)amino]methylidene]-3-cyclohexyl-1,3-diazinane-2,4,6-trione
SMILES: C1CCC(CC1)N2C(=O)C(=CNC3=C(N=CC=C3)Cl)C(=O)N(C2=O)CCCCl
Compound: N-(5-chloro-2-pyridinyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]acetamide
SMILES: COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=NC=C(C=C3)Cl
Compound: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(2,5-dichloroanilino)-2-oxoethyl] ester
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl
Compound: 2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILES: C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)F)F
Compound: 3-[4-(5-pentyl-2-pyridinyl)phenyl]-2-propenamide
SMILES: CCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C=CC(=O)N
Compound: 1-(1,3-benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)NCC3=CN=CC=C3
Compound: 2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester
SMILES: CC(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl
Compound: 3-[(4-bromophenoxy)methyl]benzohydrazide
SMILES: C1=CC(=CC(=C1)COC2=CC=C(C=C2)Br)C(=O)NN
Compound: 2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide
SMILES: COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)CC(=O)N
Compound: LSM-23818
SMILES: COCCCN1C2=C(C3=NC4=CC=CC=C4N=C31)C(=O)N(C=N2)CC5CCCO5
Compound: 5-(4-propylphenyl)-1H-pyrazol-3-amine
SMILES: CCCC1=CC=C(C=C1)C2=CC(=NN2)N
Compound: 9-(dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinone
SMILES: CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)OC)SC2=NC=C1
Compound: 1,3-benzothiazol-2-yl(thiomorpholin-4-yl)methanone
SMILES: C1CSCCN1C(=O)C2=NC3=CC=CC=C3S2
Compound: 6-bromo-1-(dibromomethyl)-5,5-dimethyl-N-(6-methyl-2-pyridinyl)-4-bicyclo[2.1.1]hexanecarboxamide
SMILES: CC1=NC(=CC=C1)NC(=O)C23CCC(C2Br)(C3(C)C)C(Br)Br
Compound: 4-[[3-[(2-furanylmethylamino)-oxomethyl]-7-methoxy-1-benzopyran-2-ylidene]amino]benzoic acid
SMILES: COC1=CC2=C(C=C1)C=C(C(=NC3=CC=C(C=C3)C(=O)O)O2)C(=O)NCC4=CC=CO4
Compound: N-[(4-chlorophenyl)methyl]-2-[[[(2-fluorophenyl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]acetamide
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2F)C(=S)NCC(=O)NCC3=CC=C(C=C3)Cl
Compound: N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide
SMILES: CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54
Compound: N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
SMILES: CC1=C(N2C=CC=CC2=N1)C3=CSC(=N3)NCC4=CC=CO4
Compound: 8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILES: CCCOC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCO4
Compound: 1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-(3-pyridinylmethyl)thiourea
SMILES: C1CCC2=NC3=C(C=C(C=C3)NC(=S)NCC4=CN=CC=C4)C(=O)N2CC1
Compound: N-(2-furanylmethylideneamino)-3-phenyl-1H-pyrazole-5-carboxamide
SMILES: C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CO3
Compound: 2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone
SMILES: CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NC4=CC=CC=C4N3
Compound: N-(2-furanylmethylideneamino)-8-methoxy-2-methyl-4-quinolinamine
SMILES: CC1=NC2=C(C=CC=C2OC)C(=C1)NN=CC3=CC=CO3
Compound: 2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N,N-diethylacetamide
SMILES: CCN(CC)C(=O)CSC1=C(C(=CC(=N1)C2=CC=CO2)C(F)(F)F)C#N
Compound: 5-(2-furanylmethyl)-4-(3-methoxyphenyl)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
SMILES: COC1=CC=CC(=C1)C2C3=C(C(=O)N2CC4=CC=CO4)NNC3=C5C=CC=CC5=O
Compound: N-[3-(7-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]-2-thiophenecarboxamide
SMILES: CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC=CS4
Compound: 3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid
SMILES: CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)O)C
Compound: N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester
SMILES: CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCCCCC3
Compound: 3-(1-piperidinyl)-1-(4-propan-2-yloxyphenyl)-1-propanone
SMILES: CC(C)OC1=CC=C(C=C1)C(=O)CCN2CCCCC2
Compound: 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thiourea
SMILES: CCNC(=S)N(CCC1=C(NC2=C1C=C(C=C2)Cl)C)CC3=CC=CO3
Compound: N-(2-methoxyphenyl)-2-methyl-4-[(2-oxo-1-naphthalenylidene)methylamino]-3-pyrazolecarboxamide
SMILES: CN1C(=C(C=N1)NC=C2C(=O)C=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4OC
Compound: 5,5,7,7-tetramethyl-2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid methyl ester
SMILES: CC(C)OC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C(NC(C3)(C)C)(C)C)C(=O)OC
Compound: 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone
SMILES: C1CC2=C(C1)C=C(C=C2)OCC(=O)N3CCC4=CC=CC=C43
Compound: 7-amino-9-(phenacylthio)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
SMILES: C1CCC2(C1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N
Compound: 5-[[[5-(2-chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester
SMILES: COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OC(=C2)C3=CC=CC=C3Cl)C(F)(F)F)N4CCOCC4
Compound: N-[(4-fluorophenyl)methyl]-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)NCC4=CC=C(C=C4)F
Compound: 5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one
SMILES: C1CCC2NC3=CC=CC=C3C(=O)N2CC1
Compound: 4-[1-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]ethyl]-N-(2-furanylmethyl)benzenesulfonamide
SMILES: CC(=NNC1=C(C=C(C=N1)Cl)Cl)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3
Compound: 4-[[[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]hydrazo]methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone
SMILES: C1CCN(C1)C2=CC(=NC(=N2)N3CCCC3)NNC=C4C=CC(=O)C(=C4)O
Compound: 5-bromo-2-furancarboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)C3=CC=C(O3)Br
Compound: 5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILES: CC1=CC(=NC2=NN=CN12)C
Compound: (2R)-N2-[2-(4-bicyclo[2.2.1]heptanyl)ethyl]-N1-[(2R,3R)-3-methyl-1-(methylamino)pentan-2-yl]hexane-1,2-diamine
SMILES: CCCC[C@H](CN[C@@H](CNC)[C@H](C)CC)NCCC12CCC(C1)CC2
Compound: 4-[(3,5-dimethylphenyl)-oxomethyl]-1,3-dihydroquinoxalin-2-one
SMILES: CC1=CC(=CC(=C1)C(=O)N2CC(=O)NC3=CC=CC=C32)C
Compound: 2-(1-adamantyl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
SMILES: CCOC1=C(C=C(C=C1)C2CC(=O)N3C(=NC(=N3)C45CC6CC(C4)CC(C6)C5)S2)OC
Compound: 5-[2-(2,6-dioxocyclohexylidene)hydrazinyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NN=C2C(=O)CCCC2=O
Compound: LSM-23854
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=[NH+]C=NC4=C3NC=N4
Compound: 4-(difluoromethoxy)-N-[5-[[4-(difluoromethylthio)phenyl]methyl]-2-thiazolyl]benzamide
SMILES: C1=CC(=CC=C1CC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)OC(F)F)SC(F)F
Compound: 1-[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-propan-2-ylthiourea
SMILES: CC(C)NC(=S)NN=CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3
Compound: N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine
SMILES: C1CCC(CC1)CNC2=C3CCCCC3=NC4=NN=NN24
Compound: N-(3-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC3=CC=CC=C3C2)C4=CC(=CC=C4)Cl
Compound: 4,5-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methylideneamino]-3-thiophenecarboxamide
SMILES: CC1=C(SC=C1C(=O)NN=CC2=CC=C(C=C2)OCC(C)C)C
Compound: 2-phenyl-1H-quinazoline-4-thione
SMILES: C1=CC=C(C=C1)C2=NC(=S)C3=CC=CC=C3N2
Compound: 10-[(2,4-dimethoxyphenyl)methylidene]-9-anthracenone
SMILES: COC1=CC(=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42)OC
Compound: 3-[5-(4-acetylphenyl)-2-furanyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid
SMILES: CC1=NC(=NN1)SC(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)C)C(=O)O
Compound: 2-[2-methoxy-4-[2-(8-nitro-2-quinolinyl)ethenyl]phenoxy]acetic acid
SMILES: COC1=C(C=CC(=C1)C=CC2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2)OCC(=O)O
Compound: 1-[(4-fluorophenyl)methylideneamino]-3-(3-pyridinyl)thiourea
SMILES: C1=CC(=CN=C1)NC(=S)NN=CC2=CC=C(C=C2)F
Compound: LSM-23865
SMILES: CC1CC2=CC=CC3=C2N1C(=O)C(=C3O)C(=O)C4=NNN=N4
Compound: 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]propanoic acid methyl ester
SMILES: CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(C)C(=O)OC
Compound: 2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(2-methoxyphenyl)acetamide
SMILES: CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3
Compound: 1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC=CC=C3C(F)(F)F)N=N2)[C@H](C)CO
Compound: 3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)NC3=C(C=C(C=C3)OC)OC)[C@H](C)CO
Compound: 1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[C@H](C)CO
Compound: 3-(3,5-dimethyl-4-isoxazolyl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)NC3=C(ON=C3C)C)[C@H](C)CO
Compound: N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)S(=O)(=O)C3=CC=CC(=C3)OC)[C@H](C)CO
Compound: N-(2-aminophenyl)-4-[[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl-methylamino]methyl]benzamide
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)N=N2)[C@H](C)CO
Compound: N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,1-dimethyl-6-indolecarboxamide
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)C3=CC4=C(C=C3)C=CN4C)N=N2)[C@@H](C)CO
Compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)NC3=CC4=C(C=C3)OCCO4)[C@H](C)CO
Compound: N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)C(=O)C3=CC=NC=C3)[C@@H](C)CO
Compound: 1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[C@@H](C)CO
Compound: (8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(7-quinolinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC4=C(C=CC=N4)C=C3)[C@@H](C)CO
Compound: (8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)[C@@H](C)CO
Compound: (8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC=C(C=C3)OC4=CC=CC=C4)[C@@H](C)CO
Compound: N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methylcarbamic acid 1-naphthalenyl ester
SMILES: C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)OC3=CC=CC4=CC=CC=C43)N=N2)[C@@H](C)CO
Compound: 4,4,4-trifluoro-N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO
Compound: 1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
SMILES: C[C@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)NC3=CC=CC=C3C(F)(F)F)N=N2)[C@H](C)CO