MonarchInit/C3PO huggingface dataset:
Compound: 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2CC3=CC=C(C=C3)C(F)(F)F)O
Compound: 8-aza-2'-deoxyadenosine 5'-monophosphate
SMILES: NC1=NC=NC2=C1N=NN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)C3
Compound: N-[(5S,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3F
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5
Compound: N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
SMILES: CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C
Compound: 2,2,2-trifluoro-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(2S,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
SMILES: CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5
Compound: 2-[(2S,5S,6R)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@@H]1CC[C@@H]([C@@H](O1)CO)NC(=O)NC2CCCCC2
Compound: LSM-13823
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C(C)C)[C@@H](C)CO
Compound: LSM-13824
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILES: C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC
Compound: LSM-13826
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
Compound: LSM-13827
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C
Compound: N-[(5R,6S,9R)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CC=C(C=C3)F)C)OC)C
Compound: N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C
Compound: N-[(5R,6R,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCCCC4
Compound: N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
SMILES: CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5)C(=O)N2C
Compound: 2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3
Compound: (2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
SMILES: COC1=CC=CC(=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5=NC=CS5)C(=O)OC)CO
Compound: sulfisoxazole
SMILES: Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
Compound: 5-carboxy-2'-deoxyuridine
SMILES: [C@@H]1(N2C(NC(=O)C(=C2)C(=O)O)=O)O[C@H](CO)[C@H](C1)O
Compound: N-[(2S,4aR,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5=CC6=C(C=C5)OCO6
Compound: 2,2,2-trifluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC(F)(F)F)C(=O)N(C[C@@H]1OC)C)C)CC3=NC=CS3
Compound: 1-[(5S,6R,9R)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)CC4CC4
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC(F)(F)F
Compound: 2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenylphenyl)methyl]acetamide
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5
Compound: N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CN=CC=C3
Compound: N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-methylbenzenesulfonamide
SMILES: CC1=CC=CC=C1S(=O)(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3C
Compound: N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5
Compound: (3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
SMILES: CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)O
Compound: N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
SMILES: C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC
Compound: N-[(2R,4aS,12aR)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
SMILES: CC1=NN(C=C1NC(=O)C[C@H]2CC[C@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5CCOCC5)C(=O)N3C)C
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=C(C=CC(=C4)F)F
Compound: LSM-13847
SMILES: C1CC1CN2[C@H]3CN4C(=O)C=CC=C4[C@@H]2[C@@H]([C@H]3CO)C(=O)N5CCC6=CC=CC=C6C5
Compound: 2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F
Compound: 2-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)CC4CCOCC4
Compound: LSM-13850
SMILES: COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@H]1N2CC5CCCC5)CO
Compound: N-[(2R,4aS,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
SMILES: CNC(=O)C[C@H]1CC[C@H]2[C@@H](O1)COC3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)F)F)C(=O)N2C
Compound: 2-[(2S,4aR,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C
Compound: N-[(2R,4aS,12aS)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
SMILES: CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCC5=CC6=C(C=C5)OCO6
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)OC)C(=O)N(C)C
Compound: LSM-13855
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CN=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: 2-[(2R,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@H](C)C4=CC=CC=C4)N(C2=O)C
Compound: N-[(2S,3R,6S)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
SMILES: C1CC(C1)NC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3CC3
Compound: (2R,3S,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
SMILES: CCS(=O)(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CC3=CC=CC=C3F)CO
Compound: 1-(3-fluorophenyl)-3-[(4R,7S,8S)-8-methoxy-5-(2-methoxy-1-oxoethyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)COC
Compound: 1-(2,5-difluorophenyl)-3-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=NC=CN=C4
Compound: (3S,6aR,8R,10aR)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC=CC=C3)O)O[C@H]1CC(=O)NCC4=NC=NC=C4
Compound: (2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@H](CN3C2=O)[C@H]([C@@H](N4S(=O)(=O)C)C(=O)NCC5CC5)CO
Compound: LSM-13863
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)[C@H](C)CO
Compound: N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
SMILES: CN(C)C(=O)C[C@@H]1CC[C@H]([C@H](O1)CO)NC(=O)C2CCOCC2
Compound: sulfamethoxypyridazine
SMILES: C1=CC(=CC=C1N)S(NC2=NN=C(C=C2)OC)(=O)=O
Compound: 5-carboxy-2'-deoxyuridine 5'-monophosphate
SMILES: [C@@H]1(N2C(NC(=O)C(=C2)C(=O)O)=O)O[C@H](COP(O)(=O)O)[C@H](C1)O
Compound: 2-[(2R,4aR,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C
Compound: (2S,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
SMILES: CCCNC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO
Compound: N-[(5S,6R,9S)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C
Compound: 2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
SMILES: CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCCC4=CC=CC=C4
Compound: 2-[(2R,4aS,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide
SMILES: CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5
Compound: 2-[(2S,4aS,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILES: CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC(=CC=C5)OC
Compound: butalbital
SMILES: CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O
Compound: N(6)-carbamoylmethyladenine
SMILES: C=12C(=NC=NC1NCC(=O)N)NC=N2
Compound: (3S,6aR,8S,10aR)-3-hydroxy-8-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-N-phenyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)NC3=CC=CC=C3)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4
Compound: LSM-13874
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: 4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
SMILES: C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F
Compound: 2-[(3S,6aS,8S,10aS)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
SMILES: C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC(=CC=C4)Cl)O
Compound: N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC(F)(F)F
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
SMILES: COC1=CC=CC(=C1)C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@@H](O3)CO)NS(=O)(=O)CC4=CC=CC=C4
Compound: 3-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-phenylethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4
Compound: N-[(2S,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
SMILES: C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@@H](CN(C)C(=O)C2CCOCC2)OC
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4CCOCC4
Compound: LSM-13882
SMILES: C1CC1CN2[C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@H]2[C@H]([C@@H]3CO)C(=O)NCC6=CC(=CC=C6)F
Compound: N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C
Compound: 2-[(3R,6aR,8R,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone
SMILES: CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)F)O
Compound: 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
SMILES: COC1=CC=CC=C1S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)OC)O
Compound: 1-(3,5-dimethyl-4-isoxazolyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C
Compound: (3R,6aS,8S,10aS)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CN1C=C(N=C1)CCNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O
Compound: 2-[(2R,4aS,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILES: CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4F)N(C2=O)C
Compound: LSM-13889
SMILES: CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CN=CC=C3)CO
Compound: LSM-13890
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO
Compound: 2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
SMILES: CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C
Compound: LSM-13892
SMILES: C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC
Compound: 2-[(2S,4aS,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@H](O4)CC(=O)NCCC5=CC=NC=C5)N(C3=O)C
Compound: (2S,3S,3aR,9bR)-1-(cyclopropylmethyl)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-(4-pyrimidinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CC1CN2[C@@H]3[C@@H](CN4C3=CC=C(C4=O)C5=CC=C(C=C5)F)[C@@H]([C@H]2C(=O)NCC6=NC=NC=C6)CO
Compound: 2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F
Compound: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6
Compound: 1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC
Compound: 1-(4-chlorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)OC[C@H]1C)C)OC)C
Compound: 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5
Compound: 1-[(2S,3R,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea
SMILES: COC1=CC=CC=C1NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CCNS(=O)(=O)C3=CC=CC=C3
Compound: N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC=CC=N6
Compound: 1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea
SMILES: COC1=CC=CC(=C1)NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCCCC3
Compound: LSM-13903
SMILES: COCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC5=CC=CC=N5
Compound: LSM-13904
SMILES: C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@H]2N3CC6=CN=CC=C6)CO
Compound: 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
SMILES: C1CCC(CC1)CNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CCC(F)(F)F)O
Compound: N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)NC3=NC=CS3
Compound: 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
SMILES: CS(=O)(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)NCC3=CC=CC=C3)O
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3
Compound: 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5
Compound: (2R,3R,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO
Compound: N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
SMILES: CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)N5CCCCC5
Compound: N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
SMILES: C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC
Compound: 2-[(2S,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4
Compound: N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@H]1OC)C)C)CCC(F)(F)F
Compound: 4-[4-[(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
SMILES: CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C)CO
Compound: N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC)[C@H](C)CO
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C
Compound: LSM-13919
SMILES: C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC
Compound: (4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)NCCC)C
Compound: LSM-13921
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3CCC(F)(F)F)CO
Compound: N-[(2R,3S,6R)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(3-pyridinyl)acetamide
SMILES: CN(C)CC1=CN(N=N1)CC[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3
Compound: 2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)NC3CC4=CC=CC=C4C3
Compound: 1-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=C3
Compound: 3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
SMILES: C1=CC(=CC(=C1)F)C(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NC3=NC=CS3
Compound: 2-methoxy-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=N3
Compound: N-[(2S,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
SMILES: CN(C)C(=O)C[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)C2CCOCC2
Compound: LSM-13928
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H](N2C(=O)NC3=C(C=CC(=C3)F)F)C4=CC=C(C(=O)N41)C5=CN=CC=C5)C(=O)O)CO
Compound: 2-[(2S,4aR,12aS)-8-[[(cyclopentylamino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(cyclopropylmethyl)acetamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4CCCC4)CC(=O)NCC5CC5
Compound: (2S,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)-2-azetidinecarbonitrile
SMILES: CCS(=O)(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5CC5
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl
Compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: CC(C)NC(=O)N[C@H]1C=C[C@@H](O[C@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2
Compound: 2-fluoro-N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide
SMILES: C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC
Compound: LSM-13935
SMILES: C1[C@H]2[C@@H]([C@H]([C@H](N2CC3=CC=NC=C3)C4=CC=CC(=O)N41)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)CO
Compound: 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5
Compound: N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CN=C5
Compound: 4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide
SMILES: C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=NC=CS2)OC
Compound: 1-[(5S,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C
Compound: (2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-[3-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)NCC5CC5)CO
Compound: N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4CC4
Compound: N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
SMILES: CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NCCC3=CC=NC=C3
Compound: LSM-13944
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)[C@@H](C)CO
Compound: LSM-13945
SMILES: C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=CC(=CC=C5)Cl)CO
Compound: 2-[(2S,4aR,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
SMILES: CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)CC(=O)O
Compound: 2-Benzimidazolylguanidine
SMILES: NC(=N)Nc1nc2ccccc2[nH]1
Compound: LSM-13947
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO
Compound: 2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5
Compound: 2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F
Compound: N-[(1R,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5CC5
Compound: LSM-13951
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)[C@H](C)CO
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NC5CCCCC5
Compound: 1-[(2R,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5
Compound: 2-[(3R,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@@H]1CC(=O)NCCC4=CC=CC=C4
Compound: 2-[(2R,4aS,12aS)-5-methyl-8-[(2-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
SMILES: CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@H](CC[C@@H](O4)CC(=O)O)N(C3=O)C
Compound: 2-[(3R,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
SMILES: C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC5=C(C=C4)OCO5)O
Compound: LSM-13960
SMILES: C[C@@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C)OC
Compound: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
SMILES: CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@H]1C)C)OC)C
Compound: 2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@@H]1CC(=O)NC3CC4=CC=CC=C4C3
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CC=C(C=C5)Cl
Compound: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=NC=CS3)C
Compound: 2-[(2S,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide
SMILES: C1COCCN1CCCNC(=O)C[C@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F
Compound: N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-4-methoxybenzenesulfonamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4
Compound: 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5
Compound: N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)CCC4=CC=CC=C4
Compound: (2S,3S,4S)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2-azetidinecarbonitrile
SMILES: COCC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO
Compound: 2-[(3R,6aS,8S,10aS)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2C(=O)C3CCCC3)O
Compound: (2S,3S,4R)-4-(hydroxymethyl)-1-[1-oxo-3-(1-piperidinyl)propyl]-3-phenyl-2-azetidinecarbonitrile
SMILES: C1CCN(CC1)CCC(=O)N2[C@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO
Compound: N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C
Compound: (4R,7R,8R)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC
Compound: 2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
SMILES: CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC
Compound: 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O
Compound: (2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-N-(4-phenylphenyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CC1CN2[C@H]3[C@H](CN4C3=CC=CC4=O)[C@H]([C@@H]2C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)CO
Compound: (2R,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-(1-oxo-2-pyridin-4-ylethyl)-2-azetidinecarbonitrile
SMILES: C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)CC4=CC=NC=C4)CO
Compound: 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCCC4=CC=NC=C4
Compound: N-[(2S,3S,6R)-6-[2-(ethylsulfonylamino)ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide
SMILES: CCS(=O)(=O)NCC[C@H]1CC[C@@H]([C@H](O1)CO)NC(=O)C2CCCCC2
Compound: (4R,7R,8R)-14-[[cyclopropyl(oxo)methyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC(C)C
Compound: LSM-13982
SMILES: COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2CCC4=CC=CC=C4)CO
Compound: LSM-13983
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C)[C@@H](C)CO
Compound: N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: CC(C)NC(=O)N[C@@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)NC2CC3=CC=CC=C3C2
Compound: (2S,3R,4R)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinecarbonitrile
SMILES: COCC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CN=CC=C3)CO
Compound: LSM-13986
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: N-[2-[(2S,5R,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCNC(=O)CC2=CC=CC=N2)CO)NC(=O)NC3=CC=C(C=C3)Cl
Compound: 2-[(2R,4aS,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide
SMILES: CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5
Compound: 1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-3-(4-fluorophenyl)-1-methylurea
SMILES: C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)C(=O)NC2=CC=C(C=C2)F)OC
Compound: 2-[(3S,6aR,8S,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC=CC=C4)O
Compound: 2-[(3R,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
SMILES: CNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O
Compound: 1-(2,5-difluorophenyl)-3-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4
Compound: 1-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-phenoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)NCC[C@@H]1CC[C@@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
Compound: N-[(2R,3R,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-methoxybenzenesulfonamide
SMILES: COC1=CC=CC=C1S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4CCCCC4
Compound: 2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@@H]1CC(=O)N4CCC5=CC=CC=C5C4
Compound: 2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[(3-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
SMILES: COC1=CC=CC(=C1)NC(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4
Compound: (2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
SMILES: CS(=O)(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)O)CO
Compound: N-[(2R,4aR,12aR)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide
SMILES: CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C
Compound: (3R,6aS,8S,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)O
Compound: (2R,3R,3aS,9bS)-1-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-N-[2-(1-methyl-4-imidazolyl)ethyl]-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)NCCC5=CN(C=N5)C)CO
Compound: N-[2-[(2S,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F
Compound: LSM-14003
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=NC=C3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F
Compound: N-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILES: C[C@@H](CN([C@H](C)CO)C(=O)C1=CC=CC=C1)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC
Compound: N-[(1R,3R,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: CN(C)C(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)CC4CC4
Compound: LSM-14007
SMILES: C1CCC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@@H]2N3C(=O)C6=CC=CC=C6)CO
Compound: N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxazolylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=COC=N4
Compound: N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4=CC=CC=N4
Compound: N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
SMILES: C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC
Compound: LSM-14011
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@H](C)CO
Compound: (2R,3R,3aS,9bS)-1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
SMILES: C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2CC5=CC=CC=C5Cl)CO
Compound: LSM-14013
SMILES: CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2CC4CC4)CO
Compound: 2-[(2R,4aR,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5
Compound: 2-[(3S,6aR,8R,10aR)-1-(benzenesulfonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3S(=O)(=O)C4=CC=CC=C4)O
Compound: LSM-14016
SMILES: CCN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=NC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC5=CC=CC=C5
Compound: (2R,3R,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
SMILES: CCC1=CN=C(S1)N2[C@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO
Compound: 1-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea
SMILES: C1CCN(CC1)C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5
Compound: N-[(2S,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxyacetamide
SMILES: CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)N4CCC5=CC=CC=C5C4
Compound: 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)O
Compound: 2-[(3S,6aS,8S,10aS)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
SMILES: C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)C4=CC=C(C=C4)F)O
Compound: 2-[(2S,3R,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILES: C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: 2-(dimethylamino)-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(pyridin-4-yl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)CN(C)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=NC=C3
Compound: 2-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C
Compound: 1-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea
SMILES: C1C[C@@H]([C@H](O[C@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F
Compound: N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-methoxybenzenesulfonamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN
Compound: N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5
Compound: N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CN=CC=C4
Compound: 2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
SMILES: C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)O
Compound: (3R,6aR,8S,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC5=C(C=C4)OCO5)O
Compound: N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)CC3=CC=CC=C3
Compound: 2-[(1R,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)F
Compound: LSM-14034
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO
Compound: (3S,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O
Compound: (3R,6aR,8S,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC=C(C=C4)F)O
Compound: 3-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4