MonarchInit/C3PO huggingface dataset:
Compound: 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCN3CCCCC3
Compound: LSM-14484
SMILES: CCCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]([C@@H]1C(=O)NCC5=NC=NC=C5)CO
Compound: 2-[(3R,6aR,8R,10aR)-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: LSM-14486
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO
Compound: LSM-14487
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@H](C)CO
Compound: 2-[(1S,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-[(1S)-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: N-[(2S,3R)-4-[benzenesulfonyl-[(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=CC=C1)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC
Compound: N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-[(1-methyl-4-imidazolyl)sulfonyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C3=CN(C=N3)C
Compound: N-[(4S,7S,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: 3-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F
Compound: 2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3
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-propylacetamide
SMILES: CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl
Compound: LSM-14496
SMILES: C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C)OC
Compound: N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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=CC6=C(C=C5)OCO6
Compound: 3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]-3-oxanyl]benzamide
SMILES: C1CCN(C1)CCNC(=O)C[C@H]2CC[C@@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: N-[(2R,3S,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyridinecarboxamide
SMILES: C1=CC=NC(=C1)C(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC(=C3)F)F
Compound: 1-[(2R,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC
Compound: 2-[(3S,6aS,8S,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4
Compound: N-[(5S,6R,9R)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=C4
Compound: (3S,6aR,8R,10aR)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)NCC4CC4)O
Compound: N-[(2R,3R,6S)-6-[2-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
SMILES: CC1=C(C(=NO1)C)NC(=O)NCC[C@@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC=C(C=C3)F
Compound: (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@H]2N1C)CO
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@H](O[C@@H]3CO)CC(=O)N4CCOCC4
Compound: N-[(5S,6R,9R)-8-[(2,5-difluorophenyl)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]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)CC4=C(C=CC(=C4)F)F
Compound: 2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-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)N(C)C
Compound: LSM-14509
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@@H](C)CO
Compound: LSM-14510
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: 2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCCC3=CC=NC=C3
Compound: 3,5-dichloro-N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide
SMILES: C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC(=CC(=C2)Cl)Cl)OC
Compound: 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@@H]1CC(=O)N5CCOCC5
Compound: N-[(5S,6R,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]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C
Compound: N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide
SMILES: C1C[C@@H]([C@H](O[C@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3
Compound: LSM-14516
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-phenylmethanesulfonamide
SMILES: C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C
Compound: 2-[(3R,6aS,8R,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-[(4-phenoxyphenyl)methyl]acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2CCC(F)(F)F)O)O[C@H]1CC(=O)NCC3=CC=C(C=C3)OC4=CC=CC=C4
Compound: 3-(4-chlorophenyl)-1-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-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)Cl)OC
Compound: LSM-14520
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: 1-[(2S,3S)-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: 2-[(2S,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: LSM-14523
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: 2-[(2R,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
SMILES: 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-14525
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: LSM-14526
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: 1-(3-chlorophenyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]urea
SMILES: C1C[C@@H]([C@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl
Compound: (2S,3S,3aR,9bR)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-propyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@@H]([C@H]1C(=O)NC5CCC5)CO
Compound: LSM-14529
SMILES: CN1C[C@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC
Compound: (2S,3S,3aR,9bR)-7-(1-cyclopentenyl)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]2N1CCC(F)(F)F)CO
Compound: 2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
SMILES: C1CCC(CC1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F
Compound: (2S,3R,4R)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-methylphenyl)sulfonyl-2-azetidinecarbonitrile
SMILES: CC1=CC=CC=C1S(=O)(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C#CC4CC4)CO
Compound: LSM-14533
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)[C@H](C)CO
Compound: 2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-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)N(C)C
Compound: 1-naphthol
SMILES: Oc1cccc2ccccc12
Compound: 2-[(2S,4aR,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-(2,3-dihydro-1H-inden-2-yl)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)NC5CC6=CC=CC=C6C5
Compound: 1-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[[4-(2-pyridinyl)phenyl]methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=C(C=C3)C4=CC=CC=N4)C
Compound: (2R,3R,4R)-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
SMILES: CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CC(=CC=C3)F)CO
Compound: (2S,3S,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](N([C@@H]2C#N)C(=O)NC3=CC(=CC=C3)F)CO
Compound: 1-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C
Compound: N-[(1S,3R,4aS,9aR)-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: (2S,3R,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO
Compound: 2-[(2S,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide
SMILES: C1C[C@@H]([C@H](O[C@@H]1CC(=O)NCCCN2CCOCC2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4
Compound: (3R,6aS,8S,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)NCC4CC4)O
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
SMILES: CCCN1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)OC[C@@H]1C)C)OC)C
Compound: alpha-Naphthyl-beta-D-glucuronide
SMILES: O[C@H]1[C@H](Oc2cccc3ccccc23)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
Compound: N-[3-(dimethylamino)propyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)NCCCN(C)C
Compound: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O
Compound: N-[(4S,7R,8R)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide
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=C(C=CC(=C3)F)F
Compound: LSM-14548
SMILES: CN1C[C@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC
Compound: LSM-14549
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: LSM-14550
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: (2S,3S,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
SMILES: C1=CC(=CC(=C1)F)C2=CC=C(C=C2)[C@@H]3[C@H](N[C@@H]3C#N)CO
Compound: 2-[(3S,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: 1-[(2R,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: LSM-14554
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: hexahydrophthalic anhydride
SMILES: O=C1OC(=O)C2CCCCC12
Compound: 1,2-ditetradecanoyl-sn-glycero-3-cytidine 5'-diphosphate
SMILES: O(C[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O
Compound: 3-chloro-N-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILES: C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC
Compound: 3-chloro-N-[(2R,3R)-4-[(3-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
SMILES: C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC
Compound: N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyrazinecarboxamide
SMILES: COC1=CC=CC=C1C2=CN(N=N2)CC[C@@H]3CC[C@H]([C@@H](O3)CO)NC(=O)C4=NC=CN=C4
Compound: N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCOCC4
Compound: LSM-14560
SMILES: C1CCC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@@H]2N3C(=O)CC6CC6)CO
Compound: LSM-14561
SMILES: CCC1=CSC(=N1)N2[C@@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C=CC)CO
Compound: 2-[(2S,4aS,12aS)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-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)C4=CC(=CC=C4)Cl)CC(=O)OC
Compound: 2-[(2R,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1CC[C@H]([C@@H](O1)CO)N
Compound: alpha-Obscurine
SMILES: C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]3(C1)[C@@H]2CCCN3C
Compound: 2-[(3S,6aS,8R,10aS)-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]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=NC=CS3
Compound: 2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
SMILES: CCCNC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4F
Compound: 2-[(3S,6aS,8R,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@H]1CC(=O)NCC4=NC=NC=C4
Compound: [(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone
SMILES: CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4OC)C(=O)N5CCN(CC5)C
Compound: 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-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)N(C)C
Compound: 2-[(1S,3R,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-(2-methoxyethyl)acetamide
SMILES: COCCNC(=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)C(F)(F)F
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
SMILES: COC1=CC=CC(=C1)CNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3CCC3
Compound: N-[(4R,7S,8S)-5-[(4-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=C(C=C3)F
Compound: 1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C
Compound: 1-(3-chlorophenyl)-3-[(4S,7R,8S)-8-methoxy-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)Cl)C(=O)N(C[C@H]1OC)C)C
Compound: LSM-14575
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO
Compound: (2R,3S,4S)-2-cyano-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-N-propan-2-yl-1-azetidinecarboxamide
SMILES: CC(C)NC(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CC3CCCCC3)CO
Compound: LSM-14577
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@@H](C)C5=CC=CC=C5)CO
Compound: LSM-14578
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4=CC=C(C=C4)F)CN2C1=O)CO)C(=O)N(C)C
Compound: LSM-14579
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4CCCC4)C(=O)NC5=CC=CC=C5)CO
Compound: LSM-14580
SMILES: CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1N2CC4CCCC4)CO
Compound: LSM-14581
SMILES: CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]2N1C(=O)CC4CC4)CO
Compound: LSM-14582
SMILES: CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1N2C(=O)NC4=C(C=CC(=C4)F)F)CO
Compound: LSM-14583
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C)CN2C1=O)CO)C(=O)NCC4=CC=CC=N4
Compound: alpha-peltatin
SMILES: [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3c(O)c1C2
Compound: LSM-14584
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4CCOCC4)CN2C1=O)CO)C(=O)OC
Compound: LSM-14585
SMILES: CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1C(=O)CC4CC4)CO
Compound: LSM-14586
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5
Compound: LSM-14587
SMILES: CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1N2C(=O)NC4=C(C=CC(=C4)F)F)CO
Compound: LSM-14588
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C)CN2C1=O)CO)C(=O)NCC4=CC=CC=N4
Compound: LSM-14589
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4=CN=CC=C4)C(=O)NCC(F)(F)F)CO
Compound: LSM-14590
SMILES: CCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)N[C@H](C)C4=CC=CC=C4
Compound: LSM-14591
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)NC4CCCC4)C(=O)NCC5=NC=NC=C5)CO
Compound: LSM-14592
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=CC=CC=C4OC)C(=O)N5CCOCC5)CO
Compound: LSM-14593
SMILES: CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1CC4=COC=N4)CO
Compound: LSM-14594
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4CCC4)C(=O)NCCC5=CN(C=N5)C)CO
Compound: LSM-14595
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3S(=O)(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)O
Compound: LSM-14596
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=CC=CC=C4OC)CN2C1=O)CO)C(=O)NCC5CC5
Compound: LSM-14597
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3S(=O)(=O)C)C(=O)NCC4=CC=CC=C4Cl)CO
Compound: LSM-14598
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)COC)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5
Compound: LSM-14599
SMILES: CCC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCC4=CN(C=N4)C
Compound: LSM-14600
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=COC=N4)CN2C1=O)CO)C(=O)NCCCN5CCOCC5
Compound: LSM-14601
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4CCCC4)C(=O)NC5=CC=CC=C5)CO
Compound: LSM-14602
SMILES: CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1N2CC4=CC(=CC=C4)Cl)CO
Compound: LSM-14603
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=C(C=CC(=C4)F)F)C(=O)NC5=NC=CS5)CO
Compound: LSM-14604
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3S(=O)(=O)C4=CC=CC(=C4)C)CN2C1=O)CO)C(=O)OC
Compound: LSM-14605
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CCC(F)(F)F)C(=O)N(C)C)CO
Compound: LSM-14606
SMILES: CCN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C=CC)[C@H]([C@@H]1C(=O)NC4CC5=CC=CC=C5C4)CO
Compound: LSM-14607
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@H](C)C5=CC=CC=C5)CO
Compound: LSM-14608
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=CC=CC=N4)CN2C1=O)CO)C(=O)N5CCCCC5
Compound: LSM-14609
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4CC4)C(=O)N5CCC6=CC=CC=C6C5)CO
Compound: LSM-14610
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)NC4CCCC4)C(=O)NCC5=NC=NC=C5)CO
Compound: LSM-14611
SMILES: CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1N2CC4CCCC4)CO
Compound: LSM-14612
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=C(C=CC(=C4)F)F)C(=O)NC5=NC=CS5)CO
Compound: LSM-14613
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=CN=CN=C4)C(=O)NCC5=CC=C(C=C5)F)CO
Compound: LSM-14614
SMILES: CCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C=CC)[C@@H]([C@H]1C(=O)NC4CC5=CC=CC=C5C4)CO
Compound: LSM-14615
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)COC)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5
Compound: LSM-14616
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3)CN2C1=O)CO)C(=O)NCC4=CC5=C(C=C4)OCO5
Compound: LSM-14617
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=COC=N4)CN2C1=O)CO)C(=O)NCCCN5CCOCC5
Compound: LSM-14618
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@@H](C)C5=CC=CC=C5)CO
Compound: LSM-14619
SMILES: CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1N2CC4=CC(=CC=C4)Cl)CO
Compound: LSM-14620
SMILES: CCC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5
Compound: LSM-14621
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=CC=CC=C4OC)C(=O)N5CCOCC5)CO
Compound: LSM-14622
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4=CC=CC=N4)CN2C1=O)CO)C(=O)NC5CCC5
Compound: LSM-14623
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=NC=CS4)CN2C1=O)CO)C(=O)NCCOC
Compound: alpha-pyrufuran
SMILES: COc1c(O)c(OC)c2c3ccccc3oc2c1OC
Compound: LSM-14624
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3S(=O)(=O)C4=CC=CC(=C4)C)CN2C1=O)CO)C(=O)OC
Compound: LSM-14625
SMILES: CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]2N1CC4=CC=CC=C4Cl)CO
Compound: LSM-14626
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3)C(=O)NC4CCC4)CO
Compound: LSM-14627
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4=CC=CC=N4)CN2C1=O)CO)C(=O)NC5CCC5
Compound: LSM-14628
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CCC4=CC=CC=C4)C(=O)OC)CO
Compound: LSM-14629
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3)C(=O)NCC4=CC(=CC=C4)OC)CO
Compound: LSM-14630
SMILES: CCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5
Compound: LSM-14631
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4CCC4)C(=O)NCCC5=CN(C=N5)C)CO
Compound: LSM-14632
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3S(=O)(=O)C4=CN(C=N4)C)CN2C1=O)CO)C(=O)NC5CCC5
Compound: LSM-14633
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)C4=CN=CC=C4)C(=O)NCC(F)(F)F)CO
Compound: alpha-ribazole
SMILES: Cc1cc2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1C
Compound: LSM-14634
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=NC=CS4)C(=O)NCC5CC5)CO
Compound: LSM-14635
SMILES: CCCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC4=CC=C(C=C4)F
Compound: LSM-14636
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=NC=CS4)C(=O)NCC5CC5)CO
Compound: LSM-14637
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CCC4=CC=CC=C4)C(=O)OC)CO
Compound: LSM-14638
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C)CN2C1=O)CO)C(=O)NCC4CCCCC4
Compound: LSM-14639
SMILES: CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)N[C@H](C)C4=CC=CC=C4
Compound: LSM-14640
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CCC(F)(F)F)C(=O)N(C)C)CO
Compound: LSM-14641
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C(=O)NC(C)C)C(=O)NCCN4CCCC4)CO
Compound: LSM-14642
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3S(=O)(=O)C4=CN(C=N4)C)CN2C1=O)CO)C(=O)NC5CCC5
Compound: LSM-14643
SMILES: CCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)N[C@@H](C)C4=CC=CC=C4
Compound: alpha-santalol
SMILES: [H][C@]12CC3C(C1)[C@]3(C)[C@]2(C)CC\C=C(\C)CO
Compound: LSM-14644
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=CC=CC=C4OC)CN2C1=O)CO)C(=O)NCC5CC5
Compound: LSM-14645
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)NCCCN(C)C
Compound: LSM-14646
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=CC=CC=N4)CN2C1=O)CO)C(=O)N5CCCCC5
Compound: LSM-14647
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CCC4=CC=CC=C4)CN2C1=O)CO)C(=O)N(C)C
Compound: LSM-14648
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C)CN2C1=O)CO)C(=O)NCC4CCCCC4
Compound: LSM-14649
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)NCCCN(C)C
Compound: LSM-14650
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3S(=O)(=O)C)C(=O)NCC4=CC=CC=C4Cl)CO
Compound: LSM-14651
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)NC(C)C)C(=O)NCCN4CCCC4)CO
Compound: LSM-14652
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CCC(F)(F)F)CN2C1=O)CO)C(=O)NCCC4=CC=NC=C4
Compound: LSM-14653
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3C(=O)C4CCC4)CN2C1=O)CO)C(=O)N5CCCCC5
Compound: LSM-14654
SMILES: CCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)N4CCC5=CC=CC=C5C4
Compound: LSM-14655
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4CCC4)CN2C1=O)CO)C(=O)N5CCCCC5
Compound: LSM-14656
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CCC4=CC=CC=C4)CN2C1=O)CO)C(=O)N(C)C
Compound: LSM-14657
SMILES: CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]2N1CC4=COC=N4)CO
Compound: LSM-14658
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C)C(=O)N4CCC(CC4)CC5=CC=CC=C5)CO
Compound: LSM-14659
SMILES: CC=CC1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3C)C(=O)N4CCC(CC4)CC5=CC=CC=C5)CO
Compound: LSM-14660
SMILES: CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)N4CCC5=CC=CC=C5C4
Compound: LSM-14661
SMILES: CCCN1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC4=CC=C(C=C4)F
Compound: LSM-14662
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CCC(F)(F)F)CN2C1=O)CO)C(=O)NCCC4=CC=NC=C4
Compound: LSM-14663
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3)C(=O)NCC4=CC(=CC=C4)OC)CO
Compound: alpha-Sinensal
SMILES: C\C(CC\C=C(/C)C=O)=C/C\C=C(/C)C=C
Compound: LSM-14664
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=CN=CN=C4)C(=O)NCC5=CC=C(C=C5)F)CO
Compound: LSM-14665
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3S(=O)(=O)C)CN2C1=O)CO)C(=O)NCC4=CC(=CC(=C4)F)F
Compound: LSM-14666
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4CC4)C(=O)N5CCC6=CC=CC=C6C5)CO
Compound: LSM-14667
SMILES: CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3C(=O)C4=NC=CN=C4)C(=O)N[C@H](C)C5=CC=CC=C5)CO
Compound: LSM-14668
SMILES: CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]1[C@H]([C@@H]2CO)C(=O)N[C@@H](C)C4=CC=CC=C4
Compound: LSM-14669
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3C(=O)C4=CC=C(C=C4)F)CN2C1=O)CO)C(=O)N(C)C
Compound: LSM-14670
SMILES: CCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C=CC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCC4=CN(C=N4)C
Compound: LSM-14671
SMILES: CC=CC1=CC=C2[C@H]3[C@H]([C@@H]([C@H](N3CC4=NC=CS4)CN2C1=O)CO)C(=O)NCCOC
Compound: LSM-14672
SMILES: CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC)[C@H]2N1CC4=CC=CC=C4Cl)CO
Compound: LSM-14673
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4CCOCC4)CN2C1=O)CO)C(=O)OC
Compound: alpha-Spinasterol
SMILES: CC[C@@H](C(C)C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: LSM-14674
SMILES: CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3S(=O)(=O)C4=CC=CC=C4F)CN2C1=O)CO)C(=O)O
Compound: 1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: 1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C
Compound: 1-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3
Compound: N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4
Compound: 4,4,4-trifluoro-N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4
Compound: 4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C
Compound: 1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3
Compound: alpha-terpinene
SMILES: CC(C)C1=CC=C(C)CC1
Compound: LSM-14684
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: 1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C
Compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,3S,6S)-3-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)C[C@H]3C=C[C@@H]([C@@H](O3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: 1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3
Compound: 4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: 4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: 1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4
Compound: N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C
Compound: 2,2':5',2''-terthiophene
SMILES: c1csc(c1)-c1ccc(s1)-c1cccs1
Compound: LSM-14694
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@@H](C)CO
Compound: N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3
Compound: 4,4,4-trifluoro-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4
Compound: 1-[[(3R,9R,10R)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)C
Compound: 1-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC
Compound: N-[(3S,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4
Compound: 4,4,4-trifluoro-N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: 4-(dimethylamino)-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C
Compound: N-[(3S,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4
Compound: N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@@H](C)CO)C)CN(C)C
Compound: 1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: 4,4,4-trifluoro-N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: 4,4,4-trifluoro-N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: 1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: CCCN(C)C[C@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C
Compound: 4,4,4-trifluoro-N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4
Compound: 1-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CNC
Compound: 1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)CC3=CC=NC=C3
Compound: N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3
Compound: N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
SMILES: CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C
Compound: 1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: 1-[[(3R,9R,10S)-16-[[anilino(oxo)methyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3
Compound: N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3
Compound: 4,4,4-trifluoro-N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCC(F)(F)F
Compound: 4,4,4-trifluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3S,9S,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4
Compound: 1-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C
Compound: N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
SMILES: CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C
Compound: 4,4,4-trifluoro-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: 1-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
SMILES: C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[(3S,9R,10R)-9-[[benzoyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
SMILES: C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)C(=O)C4=CC=CC=C4
Compound: 4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)NC(C)C
Compound: N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)C3=CC=NC=C3