MonarchInit/C3PO huggingface dataset:
Compound: N-[(1S,3R,4aS,9aR)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC(=CC=C5)F
Compound: 2-[(2S,4aR,12aS)-8-[(4-chlorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5
Compound: LSM-9632
SMILES: COC1=CC=CC=C1C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5CC5)CN3C2=O)CO)C(=O)N6CCOCC6
Compound: N-cyclobutyl-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)NC3CCC3
Compound: N-[(2R,3R,6S)-6-[2-[4-(2-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)C3=CC=CC=C3F)CO)NC(=O)C4=CC5=C(C=C4)OCO5
Compound: (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-7-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CCC(C1)CN2[C@H]3[C@H](CN4C3=CC=C(C4=O)C5=CN=CN=C5)[C@H]([C@@H]2C(=O)NC6=NC=CS6)CO
Compound: 2-[(3R,6aS,8S,10aS)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILES: CN(C)CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CC3CCCC3)O
Compound: methyl (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(oxan-4-ylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylate
SMILES: COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@@H]2N1CC4CCOCC4)CO
Compound: N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(oxane-4-carbonyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCOCC3
Compound: 2-fluoro-N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)C3=CC=CC=C3F
Compound: LSM-9640
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-[(3R,6aR,8S,10aR)-3-hydroxy-1-(oxan-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4CCOCC4)O
Compound: 2-[(2S,4aS,12aS)-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: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridine-4-carbonyl)-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)C3=CC=NC=C3)O
Compound: (2R,3R,3aS,9bS)-1-ethyl-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-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=CC=C4OC)[C@H]([C@@H]1C(=O)NCC5=CC=C(C=C5)F)CO
Compound: N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1,3-thiazol-2-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]oxane-4-carboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=NC=CS4
Compound: LSM-9646
SMILES: C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4C(=O)CC5=CC=CC=N5)CN3C2=O)CO)C(=O)O
Compound: 2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-(propan-2-ylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILES: CC(C)NC(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)F)N(C2=O)C
Compound: 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
SMILES: C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCCC5=CC=CC=C5
Compound: N-[(4R,7R,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
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)CC3CCCCC3
Compound: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C
Compound: 4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-(piperidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)N5CCCCC5
Compound: N-[(5S,6R,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]pyrazine-2-carboxamide
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: 3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-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-[(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-[(1R)-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: 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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: 2-[(3R,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-benzylacetamide
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-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-piperidin-1-ylpropanamide
SMILES: C1CCN(CC1)CCC(=O)NCC[C@@H]2CC[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC(=CC=C3)Cl
Compound: methyl 2-[(2R,4aS,12aR)-8-[(3,5-dimethylphenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate
SMILES: CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)OC)N(C3=O)C)C
Compound: LSM-9659
SMILES: C1CC(C1)C(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@H]2[C@H]([C@@H]3CO)C(=O)NCC6CC6
Compound: 2-[(3S,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: 2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILES: C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CO)CC(=O)NCC(F)(F)F
Compound: (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1S)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@@H]3N2C)CO
Compound: 2-[(2R,3R,6R)-3-(1,3-benzodioxol-5-ylcarbamoylamino)-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: LSM-9664
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: LSM-9665
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC4=CC=C(C=C4)OC)[C@H](C)CO
Compound: 2-[(2R,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-[(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: 2-[(3S,6aR,8S,10aR)-1-(cyclopentylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILES: CN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CC3CCCC3)O
Compound: N-[2-[(2S,5S,6R)-5-[(3,4-dichlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-4-fluorobenzamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC=C(C=C2)F)CO)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
Compound: 2-[(2S,3R,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILES: C1COCCN1CCCNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=CC=C3F
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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: 3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-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: N-[(2R,4aR,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C
Compound: N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide
SMILES: COC1=CC=CC=C1CNC(=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: LSM-9674
SMILES: CCC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)OC
Compound: 2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4
Compound: N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]ethanesulfonamide
SMILES: CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@H](O3)CC(=O)N4CCN(CC4)C)N(C2=O)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][1]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)NCC(F)(F)F
Compound: LSM-9678
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-[(1S,3R,4aR,9aS)-6-(cyclopentylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: C1CCC(C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=CC=NC=C5
Compound: (5S,6R,9R)-N-(2-chlorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-14-(pyridine-2-carbonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=N3)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=CC=CC=C4Cl
Compound: LSM-9681
SMILES: C1CC1CN2[C@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@@H]2[C@@H]([C@H]3CO)C(=O)NCC6=CC=CC=N6
Compound: N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)CC6=CC=NC=C6
Compound: N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide
SMILES: C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)C(=O)C2CC2)OC
Compound: (2R,3R,4S)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenylazetidine-1-carboxamide
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: N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridin-2-ylacetyl)-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)C(=O)CC3=CC=CC=N3
Compound: LSM-9686
SMILES: COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]1N2CC5=CN=CC=C5)CO
Compound: (5S,6R,9S)-14-(cyclobutanecarbonylamino)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
SMILES: CCCNC(=O)N1C[C@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCC3)OC[C@@H]1C)C)OC)C
Compound: N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridine-2-carbonyl)-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)C(=O)C3=CC=CC=N3)C
Compound: 1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-3-ylmethyl)-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)CC3=CN=CC=C3)C)OC)C
Compound: N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-chlorobenzamide
SMILES: CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl)CC(=O)NCC(F)(F)F
Compound: 2-[(3R,6aR,8R,10aR)-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-piperidin-1-ylethanone
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: 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]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)CC3CCCCC3
Compound: LSM-9693
SMILES: CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=O)C=CC=C3[C@H]1N2C(=O)NC4=C(C=CC(=C4)F)F)CO
Compound: LSM-9694
SMILES: CN1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=CC=NC=C5)CO
Compound: methyl 2-[(2S,4aR,12aR)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate
SMILES: CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CC(=O)OC
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][1]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)NCC(F)(F)F
Compound: (2S,3R,4S)-3-[4-(cyclohexen-1-yl)phenyl]-1-(3-fluorobenzoyl)-4-(hydroxymethyl)azetidine-2-carbonitrile
SMILES: C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@@H]3C#N)C(=O)C4=CC(=CC=C4)F)CO
Compound: LSM-9698
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCCC5)[C@@H]2N3C(=O)C)CO
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-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=CC(=C4)C#N)C(=O)NCC5=CC=C(C=C5)OC
Compound: LSM-9700
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-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3)O
Compound: 1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[(4-pyridin-2-ylphenyl)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: LSM-9703
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@@H](C)CO
Compound: N-[(2S,4aR,12aS)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-thiazole-4-carboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C
Compound: (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methyl-2-(piperidine-1-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
SMILES: CN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4OC)[C@H]([C@@H]1C(=O)N5CCCCC5)CO
Compound: LSM-9706
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: (3R,6aR,8S,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-(2-morpholin-4-yl-2-oxoethyl)-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)Cl)Cl)O)O[C@@H]1CC(=O)N4CCOCC4
Compound: 2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
SMILES: C1=CC=C(C=C1)NC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CC3=CN=CC=C3
Compound: LSM-9709
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: N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
SMILES: C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5
Compound: N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]thiophene-2-carboxamide
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-[(4S,7R,8R)-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]oxane-4-carboxamide
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: (3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-(dimethylcarbamoyl)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)NC5CCC5
Compound: (2S,3S,4S)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)-1-(2-pyridin-4-ylacetyl)azetidine-2-carbonitrile
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: N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylpyrazine-2-carboxamide
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-[(1R,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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=C(C=CC(=C6)F)F
Compound: N-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C
Compound: LSM-9718
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC(=CC=C4)OC)[C@H](C)CO
Compound: LSM-9719
SMILES: COC1=CC=CC=C1C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4CC5=CC=CC=C5)CN3C2=O)CO)C(=O)OC
Compound: LSM-9720
SMILES: CC(C)NC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)C(=O)N(C)C)[C@H]1[C@H]([C@@H]2CO)C(=O)O
Compound: N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-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=CN=CC=C5
Compound: N-[(4S,7R,8R)-5-acetyl-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-phenylacetamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C
Compound: N-[(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]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILES: C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C
Compound: LSM-9724
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)[C@@H](C)CO
Compound: LSM-9725
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: 2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]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=CC(=CC=C4)F
Compound: 1-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea
SMILES: C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC
Compound: 3-[4-[(2S,3R,4R)-2-cyano-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)azetidin-3-yl]phenyl]-N,N-dimethylbenzamide
SMILES: CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@@H]3C#N)C(=O)C4CC4)CO
Compound: N-[(2R,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
SMILES: CN(C)C(=O)C[C@H]1C=C[C@@H]([C@@H](O1)CO)NC(=O)C2=CC=C(C=C2)F
Compound: N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]oxan-3-yl]pyridine-3-carboxamide
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: (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1R)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@@H]3N2C)CO
Compound: 1-(2,5-difluorophenyl)-3-[(2S,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]urea
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)N2CCC3=CC=CC=C3C2)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-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)Cl)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC
Compound: N-[(2S,3R,6R)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-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: 1-[(2S,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2-methoxyphenyl)urea
SMILES: COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O
Compound: N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-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: N-[(2R,3S,6R)-6-[2-(4-cyclohexyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-morpholin-4-ylacetamide
SMILES: C1CCC(CC1)C2=CN(N=N2)CC[C@H]3CC[C@@H]([C@@H](O3)CO)NC(=O)CN4CCOCC4
Compound: 2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-3-ylmethyl)acetamide
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)NCC5=CN=CC=C5
Compound: 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(pyridine-3-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CN=CC=C3)O)O[C@H]1CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5
Compound: (2S,3S,4S)-4-(hydroxymethyl)-3-[4-(3-methoxyprop-1-ynyl)phenyl]-1-(2-phenylacetyl)azetidine-2-carbonitrile
SMILES: COCC#CC1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2C#N)C(=O)CC3=CC=CC=C3)CO
Compound: N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1,3-thiazol-2-ylmethyl)-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: 2,2,2-trifluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1,3-thiazol-2-ylmethyl)-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: 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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-[(2R,3S,6S)-6-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-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: N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-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: N-[(2R,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3
Compound: N-[(2S,4aR,12aS)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide
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)C(F)(F)F)CC(=O)NC5CC6=CC=CC=C6C5
Compound: LSM-9748
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: UDP-N-acetyl-alpha-muramoyl-L-alanyl-D-alpha-glutamyl-L-lysine
SMILES: C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
SMILES: C1COCCC1C(=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)OC6=CC=CC=C6
Compound: N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
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)CCC(F)(F)F
Compound: LSM-9751
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)[C@H](C)CO
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: C1[C@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)CC4=CC=NC=C4)CO)CC(=O)NCC5=CC(=CC=C5)F
Compound: LSM-9753
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxybenzenesulfonamide
SMILES: COC1=CC=CC=C1S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@@H]2CO)CC(=O)N3CCCCC3
Compound: 2-[(3R,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-(2,3-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-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
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)NCCC5=CC=NC=C5
Compound: LSM-9757
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CC(=CC=C4)O)[C@H](C)CO
Compound: N-[(5S,6R,9R)-8-(cyclobutanecarbonyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CCC4
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)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=CC=C5F
Compound: 3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@H](C)CN([C@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC
Compound: N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]benzenesulfonamide
SMILES: C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5
Compound: 3,5-dichloro-N-[(2R,3R)-4-[(4-fluorophenyl)carbamoyl-[(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-[(3R,6aR,8S,10aR)-1-(2-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-benzylpiperidin-1-yl)ethanone
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2S(=O)(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]oxan-3-yl]pyridine-3-carboxamide
SMILES: C1C[C@@H]([C@H](O[C@@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3
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-piperidin-1-ylethyl)acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3)O
Compound: N-(cyclohexylmethyl)-2-[(2R,3S,6S)-3-[(3-fluorophenyl)carbamoylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1CCC(CC1)CNC(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)NC3=CC(=CC=C3)F
Compound: N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(2-methylphenyl)sulfonylamino]oxan-2-yl]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: 2-[(1R,3S,4aR,9aS)-6-(cyclohexylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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)NC4CCCCC4
Compound: N-[(2R,3R,6S)-6-[2-(benzylsulfonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCNS(=O)(=O)CC2=CC=CC=C2)CO)NC(=O)C3=NC=CN=C3
Compound: LSM-9770
SMILES: CN1C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC
Compound: LSM-9771
SMILES: C1CCC(C1)C(=O)N2[C@@H]3CN4C(=O)C=CC=C4[C@H]2[C@H]([C@@H]3CO)C(=O)NC5=NC=CS5
Compound: 2-[(2R,5R,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILES: CC(=O)N[C@@H]1CC[C@@H](O[C@@H]1CO)CC(=O)NCC2=CC(=CC=C2)OC
Compound: N-[(5R,6R,9S)-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]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)CC3CCCCC3
Compound: N-[(2S,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide
SMILES: C1CC1CNC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=CC=NC=C3
Compound: 1-(2-fluorophenyl)-3-[(4S,7S,8S)-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]urea
SMILES: CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)OC[C@@H]1C)C)OC)C
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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)NC(=O)NC5=CC=C(C=C5)C(F)(F)F
Compound: N-[(2S,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
SMILES: CN(C)C(=O)C[C@H]1CC[C@H]([C@H](O1)CO)NC(=O)C2CCOCC2
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yltriazol-1-yl)ethyl]oxan-3-yl]cyclopropanecarboxamide
SMILES: CC(C)C1=CN(N=N1)CC[C@@H]2CC[C@H]([C@H](O2)CO)NC(=O)C3CC3
Compound: N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
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)C5CCOCC5
Compound: N-[(1S,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide
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)C5=CN=CC=C5
Compound: LSM-9781
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,4aR,9aS)-6-[[2-(dimethylamino)acetyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)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=CC=C4OC
Compound: N-[(1R,3R,4aS,9aR)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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: 1-(2,5-difluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyrazine-2-carbonyl)-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: 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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: 2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)carbamoylamino]-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: N-cyclohexyl-2-[(2S,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES: C1CCC(CC1)NC(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NS(=O)(=O)C3=CC=C(C=C3)F
Compound: methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
SMILES: COC(=O)C[C@@H]1CC[C@@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F
Compound: 1-(4-chlorophenyl)-3-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propanoyl-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: N-[2-[(2R,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
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: LSM-9791
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
SMILES: C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)N5CCC6=CC=CC=C6C5
Compound: methyl 2-[(3S,6aS,8R,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]acetate
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: LSM-9794
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: 3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]oxan-3-yl]benzamide
SMILES: C1CCN(C1)CCNC(=O)C[C@H]2CC[C@H]([C@@H](O2)CO)NC(=O)C3=CC(=CC=C3)F
Compound: 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide
SMILES: CN1C[C@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)NC3CCC3)O
Compound: 3-methoxy-N-[(4R,7R,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=C3)OC)C(=O)N(C[C@@H]1OC)C)C
Compound: 1-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC
Compound: N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-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)NCC(F)(F)F
Compound: N-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C[C@@H](C)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC)[C@H](C)CO
Compound: 2-[(2S,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILES: CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCCCN(C)C
Compound: 1-(2-fluorophenyl)-3-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F
Compound: LSM-9803
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO
Compound: N-[(2R,3S,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]propanamide
SMILES: CCC(=O)N[C@H]1CC[C@@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=C2F
Compound: N-[(2S,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CC(=O)NCC3CC3
Compound: N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@H]4[C@@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CC7=C(C=C6)OCO7
Compound: N-[(2S,3S,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-pyridin-3-ylacetamide
SMILES: C1C[C@@H]([C@H](O[C@@H]1CCNS(=O)(=O)C2=CC=CC=C2Cl)CO)NC(=O)CC3=CN=CC=C3
Compound: LSM-9808
SMILES: C1[C@H]2[C@@H]([C@H](N[C@H]2C3=CC=C(C(=O)N31)C=CC4=CC=CC=C4)C(=O)NCCC5=CC=NC=C5)CO
Compound: 1-(2-fluorophenyl)-3-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F
Compound: N-[(4S,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]-1-methylimidazole-4-sulfonamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@H]1OC)C)C)CC4CC4
Compound: LSM-9811
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CN=CC=C4)[C@H](C)CO
Compound: N-[(2S,3R,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-3-piperidin-1-ylpropanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4
Compound: 2-[(3R,6aR,8R,10aR)-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: LSM-9814
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: LSM-9815
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: N-[(2R,4aS,12aS)-2-[2-(cyclobutylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,3,3-trifluoropropanamide
SMILES: CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC(F)(F)F)CC(=O)NC4CCC4
Compound: LSM-9817
SMILES: COCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]1N2S(=O)(=O)C)CO
Compound: LSM-9818
SMILES: CN1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@@H]2N3C(=O)CN(C)C)CO
Compound: 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-(propylcarbamoylamino)-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide
SMILES: CCCNC(=O)N[C@H]1C=C[C@H](O[C@@H]1CO)CC(=O)NCCC2=CC=CC=C2
Compound: LSM-9820
SMILES: CN1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C=CC5=CC=CC=C5)[C@@H]3N2CC6CC6)CO
Compound: 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5S,6R,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: N-[(5S,6S,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-methylimidazole-4-sulfonamide
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: 1-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)NC6=CC=C(C=C6)C(F)(F)F
Compound: (3S,6aR,8S,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)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)NCCC4=CC=NC=C4)O
Compound: 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(2-phenylacetyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[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](CN2C(=O)CC3=CC=CC=C3)O)O[C@@H]1CC(=O)NC4CC5=CC=CC=C5C4
Compound: (2R,3R,3aS,9bS)-1-(cyclopentylcarbamoyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
SMILES: C1CCC(C1)NC(=O)N2[C@H]3[C@H](CN4C3=CC=CC4=O)[C@H]([C@@H]2C(=O)O)CO
Compound: N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C[C@@H]3C[C@H]4[C@@H]([C@@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)CC6=CC=NC=C6
Compound: 2-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-(oxan-4-ylmethyl)-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: (2R,3R,3aS,9bS)-1-[(2,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(morpholine-4-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
SMILES: C1COCCN1C(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2CC5=C(C=CC(=C5)F)F)CO
Compound: 2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-(phenylcarbamoylamino)-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)NC4=CC=CC=C4)CC(=O)O
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(oxane-4-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
SMILES: CCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)C3CCOCC3)O
Compound: 2-[(2S,3S,6R)-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: N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N,4-dimethylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN(CC2=CC=CC=C2Cl)[C@H](C)CO)OC
Compound: N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: COC1=CC=CC=C1CNC(=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: 1-[(2S,3S,6S)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea
SMILES: C1C[C@@H]([C@H](O[C@@H]1CCN2C=C(N=N2)C3CC3)CO)NC(=O)NC4=C(C=CC(=C4)F)F
Compound: LSM-9836
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)CC4=CN=CC=C4)[C@H](C)CO
Compound: 1-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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: LSM-9838
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CCCCC5)[C@H]2N3C(=O)C)CO
Compound: N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-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=CN=CC=C5
Compound: N-[(2R,4aS,12aS)-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: LSM-9841
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: (3S,6aS,8R,10aS)-8-[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-hydroxy-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CCCNC(=O)N1C[C@@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)N[C@@H]3CCN(C3)CC4=CC=CC=C4)O
Compound: 2-[(3S,6aR,8R,10aR)-1-(2-fluorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl
Compound: 1-[(2S,3S,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-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)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]oxan-3-yl]-3-piperidin-1-ylpropanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)NC3=NC=CS3
Compound: N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-3-carboxamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@@H]2C=C[C@@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3
Compound: 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(1,3-oxazol-4-ylmethyl)-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](CN2CC3=COC=N3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F
Compound: LSM-9848
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC(=CC=C4)OC)[C@@H](C)CO
Compound: UH-301
SMILES: CCCN(CCC)C1CCc2c(F)ccc(O)c2C1
Compound: 2-[(3S,6aS,8S,10aS)-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: 3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(1-methylimidazol-4-yl)sulfonylamino]butyl]urea
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)S(=O)(=O)C2=CN(C=N2)C)OC
Compound: N-[(2S,4aR,12aS)-2-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide
SMILES: CC1=NN(C=C1NC(=O)C[C@@H]2CC[C@@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CC(=CC=C5)F)C(=O)N3C)C
Compound: N-[(4R,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2,2,2-trifluoroethanesulfonamide
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)CC3CCCCC3
Compound: 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O
Compound: 2-[(2S,3R,6S)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: CN(C)CC(=O)N[C@@H]1C=C[C@@H](O[C@@H]1CO)CC(=O)NCC2=CC=CC=C2OC
Compound: N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-(2-oxo-2-piperidin-1-ylethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-(dimethylamino)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)N4CCCCC4
Compound: LSM-9856
SMILES: C1CC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3CC5=C(C=CC(=C5)F)F)CO
Compound: 2-[(2S,4aS,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-cyclohexylacetamide
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NC4CCCCC4