MonarchInit/C3PO huggingface dataset:
Compound: 3-(2-chlorophenyl)sulfonylpropanoic acid [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] ester
SMILES: CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)CCS(=O)(=O)C2=CC=CC=C2Cl
Compound: N-(3-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=NC=C(C=C3)C(F)(F)F
Compound: LSM-19803
SMILES: C1CN(CCN1C2=CC=CC=C2Cl)C3=[NH+]C=NC4=C3NC=N4
Compound: N-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-sulfanylidenemethyl]-4-fluorobenzamide
SMILES: CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC(=CC=C3)Cl
Compound: 6-amino-4-(5-bromo-2-thiophenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(S3)Br
Compound: 4-[3-[(3-chloro-4-fluoroanilino)-oxomethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C(=CN3)C(=O)NC4=CC(=C(C=C4)F)Cl
Compound: 3-hydroxy-6-(hydroxymethyl)-2-[(3-methoxyphenyl)-(2-pyridinylamino)methyl]-4-pyranone
SMILES: COC1=CC=CC(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=N3
Compound: N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)F)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4F
Compound: 4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid methyl ester
SMILES: CN1CCSC2=C1C=C(C=C2)C(=O)OC
Compound: 2-chloro-3-[2-(3,4-dichlorophenyl)-5-tetrazolyl]pyridine
SMILES: C1=CC(=C(N=C1)Cl)C2=NN(N=N2)C3=CC(=C(C=C3)Cl)Cl
Compound: 1-cyclohexyl-3-[(1,2-dimethyl-5-indolyl)methyl]urea
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)NC3CCCCC3
Compound: 1-(2,4-dimethylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
SMILES: CC1=CC(=C(C=C1)C(=O)CSC2=NN=C3N2C=CC=C3)C
Compound: 2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile
SMILES: C1CN(CCN1C(=O)CN2C(=CC#N)SC3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4
Compound: 2-methoxy-6-[(4-morpholinylamino)methylidene]-1-cyclohexa-2,4-dienone
SMILES: COC1=CC=CC(=CNN2CCOCC2)C1=O
Compound: 2-methyl-N-(3-pyridinylmethylideneamino)-3-furancarboxamide
SMILES: CC1=C(C=CO1)C(=O)NN=CC2=CN=CC=C2
Compound: 3-(phenoxymethyl)-2-benzofurancarboxylic acid (1-amino-1-oxopropan-2-yl) ester
SMILES: CC(C(=O)N)OC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3
Compound: 6-ethyl-2-thieno[2,3-b]quinolinecarboxylic acid
SMILES: CCC1=CC2=CC3=C(N=C2C=C1)SC(=C3)C(=O)O
Compound: N-(3-methoxyphenyl)-3-[(4-methylphenyl)thio]propanamide
SMILES: CC1=CC=C(C=C1)SCCC(=O)NC2=CC(=CC=C2)OC
Compound: 5-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-4-thiazolidinone
SMILES: CCN1C(=CC(=C1C)C=C2C(=O)NC(=S)S2)C
Compound: 4-[[[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid
SMILES: COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O
Compound: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-furancarboxylic acid methyl ester
SMILES: COC(=O)C1=CC=C(O1)CSC2=NC3=CC=CC=C3S2
Compound: 3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide
SMILES: CN1C2=C(C=C(S2)C(=O)NCCCN3CCCC3)C(=N1)C4=CC=C(C=C4)Cl
Compound: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
SMILES: CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4
Compound: 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
SMILES: CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br
Compound: 4-[(5-bromo-3-indolylidene)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione
SMILES: CCC1=NNC(=S)N1NC=C2C=NC3=C2C=C(C=C3)Br
Compound: 1-amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)N4CCOCC4)N
Compound: 5-[4-(diphenylmethyl)-1-piperazinyl]-2-(2-methoxyphenyl)-4-oxazolecarbonitrile
SMILES: COC1=CC=CC=C1C2=NC(=C(O2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C#N
Compound: N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide
SMILES: C1=COC(=C1)C=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Compound: 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea
SMILES: CC1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)OC)[N+](=O)[O-]
Compound: 3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide
SMILES: CCN(CC)CCNC(=O)C1=CC2=C(S1)N(N=C2C3=CC=C(C=C3)Cl)C
Compound: 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILES: CN(CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl
Compound: 4-chloro-N'-(2-pyrrolylidenemethyl)benzohydrazide
SMILES: C1=CC(=CNNC(=O)C2=CC=C(C=C2)Cl)N=C1
Compound: N,N-diethyl-3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC
Compound: N-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-2-oxolanecarboxamide
SMILES: C1CC(OC1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4
Compound: N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CO3
Compound: 4-[[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile
SMILES: COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)C#N
Compound: 4-amino-2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]isoindole-1,3-dione
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N
Compound: 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C
Compound: 4-bromo-6-(1,2-dihydropyrazol-3-ylidene)-1-cyclohexa-2,4-dienone
SMILES: C1=CC(=O)C(=C2C=CNN2)C=C1Br
Compound: LSM-19840
SMILES: C1=CC(=CC(=C1)Cl)CSC2=NC3=C(N2)C=[NH+]C=C3
Compound: N-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
SMILES: CC1=NC(=CC=C1)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C
Compound: 4-[4-(4-fluorophenyl)-1-piperazinyl]-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]-4-oxobutanamide
SMILES: CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F)N5CCOCC5
Compound: 2-[(2-fluorophenoxy)methyl]-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile
SMILES: C1=CC=C(C(=C1)OCC2=NC(=C(O2)NCCCN3C=CN=C3)C#N)F
Compound: N2-(3-fluorophenyl)-N4-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine
SMILES: C1=CC(=CC(=C1)F)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N
Compound: 2-[[3-[4-(dimethylamino)phenyl]-4,5-dihydroisoxazol-5-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILES: CN(C)C1=CC=C(C=C1)C2=NOC(C2)CN3C(=O)C4=CC=CC=C4S3(=O)=O
Compound: N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide
SMILES: CC1=C(C=CO1)C(=O)NC2=C(C=C(C=C2)Br)F
Compound: 4-bromo-6-[[(5-phenyl-2-pyrimidinyl)hydrazo]methylidene]-1-cyclohexa-2,4-dienone
SMILES: C1=CC=C(C=C1)C2=CN=C(N=C2)NNC=C3C=C(C=CC3=O)Br
Compound: N-[4-[6-amino-5-cyano-4-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]phenyl]acetamide
SMILES: CCOC1=CC(=C2C=C(NC(=C2C#N)N)C3=CC=C(C=C3)NC(=O)C)C=CC1=O
Compound: 4-hydroxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
SMILES: C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O
Compound: N'-[[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]-4-pyridinecarbohydrazide
SMILES: CC1=CC(=C(C(=C1)C)N2C(=O)C(=CNNC(=O)C3=CC=NC=C3)C(=O)NC2=O)C
Compound: 2-[4-(1,4-dithiepan-6-yl)-1-propan-2-yl-2-piperazinyl]ethanol
SMILES: CC(C)N1CCN(CC1CCO)C2CSCCSC2
Compound: 4-[2-[[2-[[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4
Compound: 2-amino-4-(4-chlorophenyl)-6-methyl-3-pyridinecarbonitrile
SMILES: CC1=NC(=C(C(=C1)C2=CC=C(C=C2)Cl)C#N)N
Compound: 1,3,8-trimethyl-5,10-diphenylpyrimido[1,2]pyrrolo[4,5-b]pyridazine-2,4-dione
SMILES: CC1=NN2C(=C3C(=C2C(=C1)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)C5=CC=CC=C5
Compound: N-(3,5-dimethylphenyl)-3-(5-nitro-2-thiophenyl)-2-propenamide
SMILES: CC1=CC(=CC(=C1)NC(=O)C=CC2=CC=C(S2)[N+](=O)[O-])C
Compound: N-(2-naphthalenyl)-2-[(3-nitrophenyl)methylideneamino]oxyacetamide
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)CON=CC3=CC(=CC=C3)[N+](=O)[O-]
Compound: 1-[[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-tetrazolyl]-1-oxoethyl]amino]-3-(4-chlorophenyl)thiourea
SMILES: C1=CC(=CC=C1NC(=S)NNC(=O)CN2N=C(N=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl
Compound: 3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILES: CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NC3=NC4=C(S3)CCCC4
Compound: 4-[[(cyclohexylamino)-oxomethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)NC2CCCCC2
Compound: 2-[1-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILES: CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC3=NN=CN3C4=CC=C(C=C4)OC)C
Compound: 2-[acetyl(2-furanylmethyl)amino]-N-(4-chlorophenyl)-5-methyl-4-thiazolecarboxamide
SMILES: CC1=C(N=C(S1)N(CC2=CC=CO2)C(=O)C)C(=O)NC3=CC=C(C=C3)Cl
Compound: LSM-19862
SMILES: CC1=CC=C(C=C1)C2C3C(=NC(=C2C#N)SCC(=O)OC)CCCC3=O
Compound: N-[[3-[2-[(4-chlorophenyl)thio]ethoxy]phenyl]methylideneamino]carbamic acid methyl ester
SMILES: COC(=O)NN=CC1=CC(=CC=C1)OCCSC2=CC=C(C=C2)Cl
Compound: 2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(2-furanylmethyl)acetamide
SMILES: COC1=C(C=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NCC3=CC=CO3)OC
Compound: 6-hydroxy-1-(2-methoxyphenyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-5-(phenylmethyl)-4-pyrimidinone
SMILES: COC1=CC=CC=C1N2C(=C(C(=O)N=C2SCC(=O)N3CCOCC3)CC4=CC=CC=C4)O
Compound: (6-bromo-5-methoxy-2-methyl-3-benzofuranyl)-[4-(2-methylphenyl)-1-piperazinyl]methanone
SMILES: CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(OC4=CC(=C(C=C43)OC)Br)C
Compound: 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
SMILES: C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)O
Compound: LSM-19868
SMILES: CC1(CC(=O)C(C(=O)C1C(=O)OC)C=NC2=CC=CC3=CC=CC=C32)C
Compound: N-[2-[(2-chloro-1-oxopropyl)hydrazo]-2-oxoethyl]benzenesulfonamide
SMILES: CC(C(=O)NNC(=O)CNS(=O)(=O)C1=CC=CC=C1)Cl
Compound: 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
SMILES: CC(C)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl
Compound: 1,4-dimethyl-6-nitro-9H-carbazole
SMILES: CC1=C2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=C(C=C1)C
Compound: 5-amino-4-(1H-benzimidazol-2-yl)-1-propan-2-yl-2H-pyrrol-3-one
SMILES: CC(C)N1CC(=O)C(=C1N)C2=NC3=CC=CC=C3N2
Compound: N-(4-methoxyphenyl)-4-(methylthio)benzenesulfonamide
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)SC
Compound: 7-(4-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILES: COC1=CC=C(C=C1)C2C=C(N=C3N2NN=N3)C4=CC=CC=C4
Compound: 3-methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone
SMILES: CC1=C(SC=N1)CCSC2=NC3=CC=CC=C3C(=O)N2C
Compound: 1-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methoxy]-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propanol
SMILES: CC1C2=CC=CN2CCN1CC(COCC3=CCC4CC3C4(C)C)O
Compound: 7-(3-chlorophenyl)-2-(4-phenyl-1-piperazinyl)-7,8-dihydro-6H-quinazolin-5-one
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=NC=C4C(=N3)CC(CC4=O)C5=CC(=CC=C5)Cl
Compound: LSM-19878
SMILES: C1CC2(CC3CC1CC(C3)C2)C(=O)NC(=S)N4CCOCC4
Compound: 4-[[2-(phenylmethyl)-1-benzimidazolyl]sulfonyl]morpholine
SMILES: C1COCCN1S(=O)(=O)N2C3=CC=CC=C3N=C2CC4=CC=CC=C4
Compound: 2-amino-6-ethyl-3-(3-isoxazolyl)-7-methoxy-1-benzopyran-4-one
SMILES: CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)N)C3=NOC=C3)OC
Compound: N-(3-chlorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridinylmethyl)-5-thiazolidinyl]acetamide
SMILES: C1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CC=N4
Compound: 2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxo-3-quinazolinyl]phenyl]-N-(2-oxolanylmethyl)acetamide
SMILES: C1CC(OC1)CNC(=O)CC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5F
Compound: N-[(2,3-dichlorophenyl)methylideneamino]-5-methyl-3-isoxazolecarboxamide
SMILES: CC1=CC(=NO1)C(=O)NN=CC2=C(C(=CC=C2)Cl)Cl
Compound: 1-(3,4-dimethoxyphenyl)-N-[3-(ethylthio)-1,2,4-triazol-4-yl]methanimine
SMILES: CCSC1=NN=CN1N=CC2=CC(=C(C=C2)OC)OC
Compound: 2-mercapto-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-3-imidazo[1,2-a]pyridin-4-iumcarboxamide
SMILES: CC1=CC=C(C=C1)N2C3=CC=CC=[N+]3C(=C2S)C(=O)NCC4=CC=C(C=C4)OC
Compound: 3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium
SMILES: C1CC2=[N+](ON=C2C3=C1N=NC=C3)[O-]
Compound: 7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILES: CC1=CC2=NC(=NC(=O)N2N1)C(F)(F)F
Compound: 2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2-propan-2-ylphenyl)acetamide
SMILES: CC(C)C1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4Cl
Compound: 2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester
SMILES: CCC1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
Compound: N-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide
SMILES: C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)F)C3=NC=C(C=C3)C(F)(F)F
Compound: 2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenol
SMILES: COC1=CC=CC(=C1OCC2=CC=CC=C2F)CNC3=CC=CC=C3O
Compound: 1-tetradecanoyl-2,3-dihexadecanoyl-sn-glycerol
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCC
Compound: 5,7-dimethoxy-4-methyl-8-[3-(4-morpholinyl)-1-(3,4,5-trimethoxyphenyl)propyl]-1-benzopyran-2-one
SMILES: CC1=CC(=O)OC2=C1C(=CC(=C2C(CCN3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC)OC)OC
Compound: LSM-19894
SMILES: CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C4=NN=NN34)CC5=CC=CC=C5)C
Compound: LSM-19895
SMILES: COC1=CC=CC(=C1)NC2=C3C(=[NH+]C=N2)N=CN3
Compound: 6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
SMILES: CCC1=C(N2C(=NC1=O)C=C(N2)C)C
Compound: LSM-19897
SMILES: CC1=[N+](C(=O)C2=C(N1)C3=C(N2)C=CC(=C3)OC)N
Compound: 4-methoxy-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide
SMILES: CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC
Compound: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester
SMILES: CCCCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2
Compound: 3-(4-methoxyphenyl)-N-[[4-(2-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide
SMILES: COC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC
Compound: 6-chloro-2-[(phenylmethylthio)methyl]imidazo[1,2-a]pyridine
SMILES: C1=CC=C(C=C1)CSCC2=CN3C=C(C=CC3=N2)Cl
Compound: LSM-19902
SMILES: CCOC(=O)C1C(C2=C(C3=CC=CC=C3C2=O)N=C1C)C4=CC=C(C=C4)O
Compound: 4-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C2=NC(=CC(=N2)C(F)(F)F)C
Compound: LSM-19904
SMILES: CC1=NC2(C3=CC=CC=C3C(=O)C2(C1C(=O)OC(C)C)O)O
Compound: N-[(2-fluorophenyl)methylideneamino]-6-methyl-4-phenyl-2-quinazolinamine
SMILES: CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)NN=CC4=CC=CC=C4F
Compound: 1-hexadecanoyl-2-octadecanoyl-3-dodecanoyl-sn-glycerol
SMILES: O(C(=O)CCCCCCCCCCCCCCCCC)[C@@H](COC(CCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCC
Compound: 4-[[oxo-[4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=CC=C4
Compound: 3-hydroxy-N-[[2-oxo-1-(phenylmethyl)-3-indolylidene]amino]-2-naphthalenecarboxamide
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC5=CC=CC=C5C=C4O)C2=O
Compound: 4-[5-(prop-2-ynylthio)-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone
SMILES: C#CCSC1=NNC(=C2C=CC(=O)C=C2)O1
Compound: 7-chloro-4-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]quinoline
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C
Compound: 4-[(2,4-dichlorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILES: CN(C)CCNC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)Cl
Compound: N-[2-(2-methyl-1-indolyl)ethyl]benzamide
SMILES: CC1=CC2=CC=CC=C2N1CCNC(=O)C3=CC=CC=C3
Compound: 1-(2,3-dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone
SMILES: CCCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=NC=C4
Compound: N-[(2-methoxyphenyl)methyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide
SMILES: COC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4
Compound: 4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)Cl
Compound: N-(1,3-benzodioxol-5-yl)-2,3-diethyl-6-quinoxalinecarboxamide
SMILES: CCC1=NC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)N=C1CC
Compound: 1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
SMILES: CC1=NC(=CC=C1)NC(=O)NC2=CC=C(C=C2)OC
Compound: 4-(4-chlorophenyl)sulfinyl-6-(methoxymethyl)-2-methylpyrimidine
SMILES: CC1=NC(=CC(=N1)S(=O)C2=CC=C(C=C2)Cl)COC
Compound: 2-thiophenecarboxylic acid (4-acetamidophenyl) ester
SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CS2
Compound: N-(2-aminophenyl)-1-butyl-4-hydroxy-2-oxo-3-quinolinecarboxamide
SMILES: CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3N)O
Compound: 3-[4-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydroisoxazole-5-carboxamide
SMILES: C1C(ON=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=CC=C3C(F)(F)F
Compound: 3-amino-N-(2-fluorophenyl)-6-(phenylmethyl)-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarboxamide
SMILES: C1=CC=C(C=C1)CC2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=CC=C4F)N
Compound: 2-chloro-N-(2-phenylethyl)benzamide
SMILES: C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2Cl
Compound: 4-[2-(3-fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
SMILES: CC1=NC2=CC(=NN2C(=C1)N3CCOCC3)C4=CC(=CC=C4)F
Compound: N-[(4-fluorophenyl)methyl]-2-[4-[(4-fluorophenyl)-oxomethyl]phenoxy]acetamide
SMILES: C1=CC(=CC=C1CNC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)F
Compound: N-(3-hydroxypropyl)-4-[(1-oxo-2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-3-yl)thio]butanamide
SMILES: C1CC2=C(C1)SC3=C2C(=O)NC(=N3)SCCCC(=O)NCCCO
Compound: [[1-[(4-fluorophenyl)methyl]-2-oxo-3-indolylidene]amino]thiourea
SMILES: C1=CC=C2C(=C1)C(=NNC(=S)N)C(=O)N2CC3=CC=C(C=C3)F
Compound: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone
SMILES: CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)CSC3=NC4=CC=CC=C4S3
Compound: N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)N3CCSCC3=N2
Compound: 6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC
Compound: cyclohexanecarboxylic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester
SMILES: C1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3
Compound: N-[4-[[3-(4-acetamidophenyl)sulfonyl-2-thiazolidinylidene]amino]sulfonylphenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C2N(CCS2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C
Compound: 2-cyano-N-(3-methylphenyl)-3-[4-(methylthio)phenyl]-2-propenamide
SMILES: CC1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)SC)C#N
Compound: N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester
SMILES: CCN(CC)C(=S)SCCC(=O)NC(=O)OC1=CC=C(C=C1)C
Compound: acetic acid [3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester
SMILES: CC(=O)OC1(C(=O)NC2=CC=CC=C2O1)C(F)(F)F
Compound: 3-nitro-4-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]benzamide
SMILES: C1CC(OC1)CN2C(=NN=C2SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4
Compound: 3,4-dimethylbenzoic acid (6-methyl-3-pyridinyl) ester
SMILES: CC1=C(C=C(C=C1)C(=O)OC2=CN=C(C=C2)C)C
Compound: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]hexanamide
SMILES: CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCCCC2)Cl
Compound: (2,5-dimethylanilino)thiourea
SMILES: CC1=CC(=C(C=C1)C)NNC(=S)N
Compound: 3-pyridinecarboxylic acid 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl ester
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NCCOC(=O)C3=CN=CC=C3
Compound: 4-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NC3=CN=CC=C3
Compound: N-(4-bromo-2,6-dimethylphenyl)-2-methoxybenzamide
SMILES: CC1=CC(=CC(=C1NC(=O)C2=CC=CC=C2OC)C)Br
Compound: 3-(4-bromophenyl)-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
SMILES: COC1=CC(=CC(=C1)C2=NC(=NO2)C3=CC=C(C=C3)Br)OC
Compound: 2-(4-chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole
SMILES: CC1=CSC(=N1)SCC2=NN=C(O2)C3=CC=C(C=C3)Cl
Compound: 6-bromo-5-hydroxy-2-methyl-1H-indole-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC2=CC(=C(C=C21)O)Br)C
Compound: N-(2,5-dimethylphenyl)-2-benzofurancarboxamide
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C2=CC3=CC=CC=C3O2
Compound: 2-(2-methoxyanilino)-8-[(3-methyl-1-piperidinyl)-oxomethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILES: CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N4C(=N3)SC(=N4)NC5=CC=CC=C5OC
Compound: N-(2-methoxyphenyl)-2-(2-oxopropylthio)-1,3-benzoxazole-5-sulfonamide
SMILES: CC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC
Compound: 3-[3-(2-methoxyphenoxy)propyl]-1,3-benzothiazol-2-one
SMILES: COC1=CC=CC=C1OCCCN2C3=CC=CC=C3SC2=O
Compound: 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[4-(4-quinazolinyl)-1-piperazinyl]methyl]oxazole
SMILES: CC1=C(N=C(O1)C2=C(C=C(C=C2)OC)OC)CN3CCN(CC3)C4=NC=NC5=CC=CC=C54
Compound: 6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one
SMILES: CC1=CC=CC=C1OCCC2=C(NC(=S)NC2=O)C
Compound: N-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-fluorobenzamide
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2F)COC3=C(C=C(C=C3)F)F
Compound: 2-hydroxy-9-xanthenone
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)O
Compound: 6-(6-methoxy-1,3-benzodioxol-5-yl)-7-furo[3,2-g][1]benzopyranone
SMILES: COC1=CC2=C(C=C1C3=CC4=C(C=C5C(=C4)C=CO5)OC3=O)OCO2
Compound: 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl
Compound: 7-hydroxy-8-methoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O
Compound: (4R)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester
SMILES: CC1=C([C@H](C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC
Compound: 2-hydroxy-4-methoxy-6-methylbenzoic acid ethyl ester
SMILES: CCOC(=O)C1=C(C=C(C=C1C)OC)O
Compound: (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H](CC3=C(O2)C(=C(C=C3OC)OC)I)O)OC
Compound: 5-hydroxy-11,11-dimethyl-4-methylene-8-bicyclo[7.2.0]undecanone
SMILES: CC1(CC2C1CCC(=C)C(CCC2=O)O)C
Compound: 2-(4-oxo-2-propyl-3-pyranyl)acetaldehyde
SMILES: C(C1=C(C(=O)C=CO1)CC=O)CC
Compound: (2S)-2-acetamido-3-(1H-indol-3-yl)propanamide
SMILES: CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N
Compound: 5-hydroxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g][1]benzopyran-6-one
SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(CC3)(C)C)O
Compound: (1R,2R,4S)-2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O
Compound: 5-hydroxy-2,8-dimethyl-6,9-dihydropyrano[3,2-h][1]benzoxepin-4-one
SMILES: CC1=CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1
Compound: 5-[2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol
SMILES: COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)O
Compound: 5,7,8-trimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3OC)OC)OC
Compound: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione
SMILES: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
Compound: 2-cyano-3-(3-hydroxyphenyl)-2-propenoic acid
SMILES: C1=CC(=CC(=C1)O)C=C(C#N)C(=O)O
Compound: 4,5-dimethoxy-2-nitrobenzaldehyde
SMILES: COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OC
Compound: 2-chloro-1-(4,5-dibromo-2-thiophenyl)ethanone
SMILES: C1=C(SC(=C1Br)Br)C(=O)CCl
Compound: 1-(1-naphthalenyl)piperazine
SMILES: C1CN(CCN1)C2=CC=CC3=CC=CC=C32
Compound: (2R,3S)-2-methylcitrate(3-)
SMILES: C[C@H](C([O-])=O)[C@](O)(CC([O-])=O)C([O-])=O
Compound: 5-phenylpenta-2,4-dienoic acid
SMILES: C1=CC=C(C=C1)C=CC=CC(=O)O
Compound: (3-ethoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
SMILES: CCOC1=CC=CC(=C1)C(=O)C2=C(C(=C(C=C2)O)O)O
Compound: 7-hydroxy-3-(2-methoxyphenyl)-1-benzopyran-4-one
SMILES: COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O
Compound: (3R,6R)-6-[(1R,3aS,7aR)-4-[2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
SMILES: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C
Compound: 2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione
SMILES: C1CC(=O)C(C(=O)C1)CC2C(=O)CCCC2=O
Compound: 6-hydroxy-7,8-dimethoxy-4-phenyl-1-benzopyran-2-one
SMILES: COC1=C(C=C2C(=CC(=O)OC2=C1OC)C3=CC=CC=C3)O
Compound: 4-[[[(2S,3R)-10-[[cyclopropyl(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@@H](C)CO
Compound: N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)O[C@H]1CNC)[C@H](C)CO
Compound: N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)C(=O)NC4=CC=CC5=CC=CC=C54)[C@@H](C)CO
Compound: N-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H]1CN(C)C)[C@@H](C)CO
Compound: 1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-cyclohexylurea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO
Compound: 1-[[(2S,3S)-9-(benzenesulfonamido)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO
Compound: N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO
Compound: 1-cyclohexyl-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@@H]1CNC)[C@@H](C)CO
Compound: (2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CNC)[C@@H](C)CO
Compound: 1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO
Compound: N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3CC3)[C@H](C)CO
Compound: 4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO
Compound: 1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@@H](C)CO
Compound: N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
Compound: 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=C(ON=C3C)C)O[C@H]1CNC)[C@H](C)CO
Compound: N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3=CC=NC=C3)[C@@H](C)CO
Compound: N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO
Compound: 1-cyclohexyl-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@H]1CNC)[C@H](C)CO
Compound: N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
Compound: N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@@H]1CNC)[C@H](C)CO
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@@H]1CNC)[C@H](C)CO
Compound: N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@H](C)CO
Compound: 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO
Compound: N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO
Compound: 1-[[(2S,3S)-9-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
Compound: 1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=C(ON=C3C)C)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO
Compound: 1-tetradecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glycerol
SMILES: O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(CCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC
Compound: N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
Compound: 4-fluoro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@@H]1CNC)[C@H](C)CO
Compound: (2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CNC)[C@H](C)CO
Compound: N-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CN3C=NN=N3)O[C@H]1CN(C)C)[C@@H](C)CO
Compound: 1-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)F)[C@@H](C)CO
Compound: N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3CC3)[C@H](C)CO
Compound: 1-[[(2R,3R)-9-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@H]1CN(C)C(=O)NC4=CC=CC5=CC=CC=C54)[C@H](C)CO
Compound: N-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4)[C@H](C)CO
Compound: N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CCOCC3)O[C@H]1CN(C)CC4CCCCC4)[C@@H](C)CO
Compound: N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)CC3CC3)[C@@H](C)CO
Compound: (2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3CC3)[C@@H](C)CO
Compound: 1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CNC)[C@@H](C)CO
Compound: N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CNC)[C@@H](C)CO
Compound: N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@@H]1CNC)[C@@H](C)CO
Compound: N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO
Compound: (2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3CC3)[C@H](C)CO
Compound: (2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CNC)[C@H](C)CO
Compound: 4-fluoro-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@@H]1CNC)[C@H](C)CO
Compound: N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)O[C@@H]1CN(C)C(=O)NC4=CC=CC5=CC=CC=C54)[C@H](C)CO
Compound: 1-[[(2R,3R)-9-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)OC)[C@@H](C)CO
Compound: N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC4=CC=CC=C4S3)O[C@@H]1CNC)[C@@H](C)CO
Compound: N-[[(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO
Compound: 4-(dimethylamino)-N-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)F)[C@H](C)CO
Compound: N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO
Compound: N-(2-aminophenyl)-4-[[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)[C@H](C)CO
Compound: N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CCOCC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@H](C)CO
Compound: 1-[[(2S,3S)-10-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)C(=O)NC4=CC=CC5=CC=CC=C54)[C@@H](C)CO
Compound: (2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CNC)[C@@H](C)CO
Compound: N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO
Compound: 1-[(2S,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-cyclohexylurea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@@H](C)CO
Compound: N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO
Compound: 1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@H]1CNC)[C@H](C)CO
Compound: 1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@@H]1CN(C)CC4CCCCC4)[C@@H](C)CO
Compound: (2S,3R)-10-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N)O[C@@H]1CNC)[C@@H](C)CO
Compound: N-[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methylmethanesulfonamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
Compound: 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO
Compound: (2S,3S)-10-amino-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N)O[C@@H]1CNC)[C@H](C)CO
Compound: N-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=CS3)[C@H](C)CO
Compound: N-[[(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO
Compound: N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO
Compound: N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl)[C@@H](C)CO
Compound: N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@H](C)CO
Compound: 1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO
Compound: 1-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-cyclohexylurea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO
Compound: 4-[[[(2S,3R)-10-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@H](C)CO
Compound: N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CNC)[C@@H](C)CO
Compound: 3-cyclohexyl-1-[[(2S,3R)-10-[(4-fluorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO
Compound: N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)O[C@@H]1CN(C)C(=O)NC4=CC=CC5=CC=CC=C54)[C@H](C)CO
Compound: (2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3CCCCC3)[C@H](C)CO
Compound: N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@@H](C)CO
Compound: N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO
Compound: 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@@H]1CNC)[C@H](C)CO
Compound: N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CC3)O[C@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO
Compound: N-[(2R,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO
Compound: 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CNC)[C@H](C)CO
Compound: N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
Compound: N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CCOCC3)O[C@@H]1CN(C)C(=O)NC4=CC=CC5=CC=CC=C54)[C@H](C)CO
Compound: 1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@H]1CN(C)CC4CCCCC4)[C@@H](C)CO
Compound: 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
Compound: 1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)O[C@@H]1CN(C)C)[C@H](C)CO
Compound: (2R,3R)-10-amino-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
SMILES: C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)N)O[C@H]1CNC)[C@@H](C)CO
Compound: 4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@H]1CN(C)CC3=CC=C(C=C3)OC)[C@H](C)CO
Compound: N-(2-aminophenyl)-4-[[[(2S,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)[C@@H](C)CO
Compound: N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3,5-dimethyl-4-isoxazolesulfonamide
SMILES: C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO
Compound: N-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@H]1CN(C)C)[C@H](C)CO
Compound: 4-[[[(2R,3S)-10-[[cyclopropyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3CC3)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)O)[C@H](C)CO
Compound: N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC4=CC=CC=C4S3)O[C@@H]1CNC)[C@H](C)CO
Compound: 1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
SMILES: C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@@H]1CNC)[C@@H](C)CO