MonarchInit/C3PO huggingface dataset:
Compound: 2-fluoro-N-[(2R,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@@H](C)CO
Compound: N-[(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]-5-methyl-1,2-oxazole-3-carboxamide
SMILES: C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C
Compound: 2-[(1R,3S,4aS,9aR)-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-[(4R,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]-5-methyl-1,2-oxazole-3-carboxamide
SMILES: C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C
Compound: 1-(3-fluorophenyl)-3-[(5R,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=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C
Compound: (2S,3R,4R)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-pyridin-2-ylacetyl)azetidine-2-carbonitrile
SMILES: C1CC1C#CC2=CC=C(C=C2)[C@H]3[C@@H](N([C@@H]3C#N)C(=O)CC4=CC=CC=N4)CO
Compound: N-[(5R,6S,9R)-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]benzamide
SMILES: CCC(=O)N1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C
Compound: methyl 2-[(1R,3S,4aR,9aS)-6-amino-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
SMILES: COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)N
Compound: LSM-8744
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3CCC(F)(F)F)CO
Compound: [(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)N5CCC6=CC=CC=C6C5
Compound: N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]oxan-3-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)CC3=CC=NC=C3
Compound: 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]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: N-[(5S,6S,9R)-8-(2-cyclopropylacetyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4
Compound: trimetrexate
SMILES: CC1=C2C(=CC=C1CNC3=CC(OC)=C(C(=C3)OC)OC)N=C(N=C2N)N
Compound: LSM-8749
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO
Compound: LSM-8750
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=C(ON=C4C)C)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: LSM-8751
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: LSM-8752
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C)C4=CC=CC=C4)[C@H](C)CO
Compound: LSM-8753
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)[C@@H](C)CO
Compound: 2-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC3=CN=CC=C3
Compound: (3R,6aS,8R,10aS)-8-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-hydroxy-N-(2-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O
Compound: 2-fluoro-N-[(4S,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=C3F)C(=O)N(C[C@@H]1OC)C)C
Compound: 2-methoxy-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-2-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3
Compound: N-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-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=C(C=C1)Cl)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC
Compound: trimipramine
SMILES: CC(CN(C)C)CN1c2ccccc2CCc2ccccc12
Compound: LSM-8759
SMILES: C1CCC(CC1)CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3C(=O)C5=CN=CC=C5)CO
Compound: N-[(3-fluorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]oxan-2-yl]acetamide
SMILES: COC1=CC=CC=C1S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=CC=C3)F
Compound: (2R,3R,3aS,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-pyrimidin-5-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@H]2N1CC5=CC6=C(C=C5)OCO6)CO
Compound: LSM-8762
SMILES: CCCN1[C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4OC)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC5=CC=CC=N5
Compound: (2S,3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)N3[C@@H]([C@@H]([C@H]3C#N)C4=CC=CC=C4)CO
Compound: LSM-8764
SMILES: CN1CCCC(=O)N(C[C@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C
Compound: (2R,3R,3aS,9bS)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-1-(pyrimidin-5-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CC1CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2CC5=CN=CN=C5)CO
Compound: 2-[(2S,4aS,12aS)-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: N-[(2R,3S,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1CCN(CC1)C(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4
Compound: 3-chloro-N-[(2R,3S)-4-[(4-chlorophenyl)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)Cl)OC
Compound: LSM-8769
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)F)[C@H](C)CO
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-2-ylmethyl)-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=C4F)C(=O)NCC5=CC=CC=N5
Compound: N-[(2S,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylpyrazine-2-carboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC)[C@H](C)CO
Compound: 2-[(2S,4aS,12aR)-8-(ethylcarbamoylamino)-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: CCNC(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@H](O3)CC(=O)N[C@@H](C)C4=CC=CC=C4)N(C2=O)C
Compound: 2-[(3R,6aS,8S,10aS)-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: (2R,3S,4S)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-1-ethylsulfonyl-4-(hydroxymethyl)azetidine-2-carbonitrile
SMILES: CCS(=O)(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO
Compound: 1-[(5S,6S,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea
SMILES: C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)CC4CC4
Compound: LSM-8776
SMILES: CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)NCC4=CC=C(C=C4)OC)[S@@](=O)C(C)(C)C)CCO
Compound: 2-[(2S,4aS,12aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
SMILES: CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@H](O4)CC(=O)N[C@@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C
Compound: N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
SMILES: C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC
Compound: Tripdiolide
SMILES: CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C([C@@H](O)C[C@]13C)C(=O)OC4)[C@@H]2O
Compound: N-[(2S,4aR,12aR)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide
SMILES: CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)F)CC(=O)NCC5CCCCC5
Compound: 2-[(3S,6aS,8S,10aS)-1-(3,5-dichlorobenzoyl)-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: methyl 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
SMILES: COC(=O)C[C@@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NS(=O)(=O)C
Compound: LSM-8782
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C)C4=CC=CC=C4)[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]-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)N4CCC5=CC=CC=C5C4
Compound: N-[2-[(2R,5S,6S)-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: 4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]oxan-3-yl]benzamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F
Compound: 2-[(3R,6aR,8S,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-piperidin-1-ylethanone
SMILES: C1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC(=CC=C4)Cl)O
Compound: 2-fluoro-N-[2-[(2R,5S,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: N-[(2R,4aR,12aS)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILES: CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@@H](O4)CC(=O)NC5CCCC5)N(C3=O)C
Compound: Tripelennamine
SMILES: CN(C)CCN(Cc1ccccc1)c1ccccn1
Compound: LSM-8789
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: (2R,3S,4R)-3-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-(hydroxymethyl)-1-(2-methoxyacetyl)azetidine-2-carbonitrile
SMILES: COCC(=O)N1[C@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C#CCC3CCCC3)CO
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(1,3-thiazol-2-ylmethyl)-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](CN2CC3=NC=CS3)O)O[C@@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5
Compound: N-[(1R,3R,4aR,9aS)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: C1CCC(C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5
Compound: N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyrimidin-5-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CN=CN=C3
Compound: 2,2,2-trifluoro-N-[(4S,7S,8R)-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: N-[(2S,4aS,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide
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)F)CC(=O)N(C)C
Compound: 1-(2,5-difluorophenyl)-3-[(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]urea
SMILES: C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCCC5=CC=NC=C5
Compound: 2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-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)NS(=O)(=O)C5=CC=C(C=C5)F
Compound: 1-[(2R,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-8800
SMILES: C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@H]2N3C(=O)C6CCC6)CO
Compound: LSM-8801
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: 2-[(3R,6aS,8S,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-[(3-fluorophenyl)methyl]acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=CC=NC=C3)O)O[C@@H]1CC(=O)NCC4=CC(=CC=C4)F
Compound: LSM-8803
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC4=CC=CC=C4)[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-[(2-methoxyphenyl)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=C4OC
Compound: 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(1-methylimidazol-4-yl)sulfonylamino]butyl]-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)S(=O)(=O)C2=CN(C=N2)C)OC
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-piperidin-1-ylpropanoyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILES: C1CCN(CC1)CCC(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCC4=CC=NC=C4)O
Compound: 3-fluoro-N-[(4S,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]benzenesulfonamide
SMILES: C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@@H]1OC)C)C
Compound: (2S,3S,3aR,9bR)-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-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILES: CC1=CC(=NO1)C(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@H](O4)CC(=O)NCC5=CC=C(C=C5)C6=CC=CC=C6)N(C3=O)C
Compound: N-[(1R,3R,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide
SMILES: CN(C)C(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4
Compound: (2S,3S,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile
SMILES: COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@H](N([C@@H]3C#N)C(=O)C4CC4)CO
Compound: 1-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-3-(4-fluorophenyl)-1-methylurea
SMILES: C[C@@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)C(=O)NC2=CC=C(C=C2)F)OC
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=CC=N4
Compound: (2S,3S,4S)-1-benzylsulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
SMILES: C1=CC=C(C=C1)CS(=O)(=O)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=CC=C3)CO
Compound: 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(pyrazine-2-carbonyl)-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: C1C[C@@H]2[C@H](COC[C@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)N4CCN(CC4)C5=CC=CC=C5
Compound: N-[(1S,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]-3-methoxybenzenesulfonamide
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)N5CCCCC5
Compound: 1-(2,5-difluorophenyl)-3-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]ethyl]urea
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F
Compound: N-[(5R,6S,9S)-8-[2-(dimethylamino)acetyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)C(=O)CN(C)C)C)OC)C
Compound: (2S,3S,4S)-1-(cyclopropanecarbonyl)-3-[4-[2-(1-hydroxycyclopentyl)ethynyl]phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
SMILES: C1CCC(C1)(C#CC2=CC=C(C=C2)[C@@H]3[C@H](N([C@@H]3C#N)C(=O)C4CC4)CO)O
Compound: LSM-8820
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@@H](C)CO
Compound: 2-[(3R,6aS,8S,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-[(3S)-1-benzylpyrrolidin-3-yl]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: (2R,3R,4S)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenylazetidine-1-carboxamide
SMILES: COC1=CC=CC=C1NC(=O)N2[C@@H]([C@@H]([C@@H]2C#N)C3=CC=CC=C3)CO
Compound: LSM-8823
SMILES: CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)N(C)C)[S@@](=O)C(C)(C)C)CCO
Compound: 1-(2-methoxyphenyl)-3-[(4S,7S,8R)-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]urea
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C)C
Compound: LSM-8825
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,4aR,12aS)-2-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-methoxybenzamide
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)OC)CC(=O)NCC5CC5
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-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)NCCC5=CC=CC=C5
Compound: (2R,3R,3aS,9bS)-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: N-[(2S,4aS,12aS)-2-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]pyrazine-2-carboxamide
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=NC=CN=C4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6
Compound: 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(1,3-thiazol-2-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)NCC4=CC=CC=C4Cl
Compound: N-[(1R,3S,4aS,9aR)-3-[2-[(4-chlorophenyl)methylamino]-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)NCC5=CC=C(C=C5)Cl
Compound: 3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN([C@H](C)CO)C(=O)NC2=CC=CC=C2F)OC
Compound: N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6
Compound: (2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)NC5=CC=CC=C5)CO
Compound: 2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC5=C(C=C4)OCO5
Compound: 4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
SMILES: C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC
Compound: (3S,6aR,8R,10aR)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: C1CCC(CC1)CNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)Cl)O
Compound: LSM-8838
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: tripteroside
SMILES: OC[C@H]1O[C@@H](Oc2cc3oc4cc(O)cc(O)c4c(=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: N-[(5R,6S,9S)-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: N-[(1R,3R,4aR,9aS)-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-8841
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: N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-[(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=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC
Compound: 2-[(1R,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-[(2,5-difluorophenyl)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=C(C=CC(=C5)F)F
Compound: 3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butyl]urea
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2CCOCC2)OC
Compound: N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-cyanobenzamide
SMILES: CC(C)C1=CC(=CC=C1)NC(=O)C[C@H]2CC[C@H]3[C@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CC=C(C=C5)C#N)C(=O)N3C
Compound: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(pyridine-2-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)C3=CC=CC=N3)O
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-(3-morpholin-4-ylpropyl)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)NCCCN5CCOCC5
Compound: methyl 2-[(2S,4aS,12aR)-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]acetate
SMILES: CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=CS4)CC(=O)OC
Compound: Triptolide
SMILES: CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
Compound: methyl 2-[(3R,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: (3R,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O
Compound: 1-[(5R,6R,9R)-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-[(5S,6R,9R)-5-methoxy-8-(2-methoxyacetyl)-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)C(=O)COC
Compound: N-[(2S,4aR,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide
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)F)CC(=O)N(C)C
Compound: N-[(4R,7R,8R)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-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)CC3CCCC3)C
Compound: LSM-8855
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: (3S,6aS,8R,10aS)-8-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-hydroxy-N-(2-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: COC1=CC=CC=C1NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O
Compound: N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-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
Compound: 2-[(3S,6aR,8R,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-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](CN3S(=O)(=O)C4=CC=C(C=C4)F)O
Compound: N-[(2S,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILES: C[C@@H](CN([C@H](C)CO)C(=O)C1=CC=CC=C1)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC
Compound: 2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-piperidin-1-ylethyl)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: 2-[(1S,3R,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: methyl 2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]acetate
SMILES: COC(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)NC2=CC=C(C=C2)C(F)(F)F
Compound: LSM-8863
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: N-[(1R,3R,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]pyridine-3-carboxamide
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)NCC5=C(C=CC(=C5)F)F
Compound: 1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-2-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
SMILES: C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3
Compound: (2R,3S,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: LSM-8867
SMILES: C[C@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C
Compound: N-[(3,4-dichlorophenyl)methyl]-2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
SMILES: C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC(=C(C=C2)Cl)Cl)CO)NS(=O)(=O)C3=CC=C(C=C3)F
Compound: (2S,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile
SMILES: COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4CC4)CO
Compound: LSM-8870
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: LSM-8871
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: LSM-8872
SMILES: CN1CCCC(=O)N(C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C
Compound: 1-[(2R,3S,6R)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)oxan-3-yl]-3-(3-methoxyphenyl)urea
SMILES: COC1=CC=CC(=C1)NC(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCCCC3
Compound: N-[(2R,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)-3-hydroxy-1-(2-methylphenyl)sulfonyl-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: CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCN(CC4)C)O
Compound: N-[(1S,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-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=CC6=C(C=C5)OCO6
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]oxane-4-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)C5CCOCC5
Compound: N-[(2R,3R,6R)-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: LSM-8879
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@H]([C@H](O3)CN(C1=O)C)OC)C#N)C
Compound: 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@H]1CC(=O)NCCC4=CC=NC=C4
Compound: 2-[(3S,6aR,8R,10aR)-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-benzylpyrrolidin-3-yl]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: (2S,3S,3aR,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-pyrimidin-5-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@@H]2N1CC5=CC6=C(C=C5)OCO6)CO
Compound: N-[(2S,4aS,12aR)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]oxane-4-carboxamide
SMILES: CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC
Compound: N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,6-dihydro-2H-pyran-3-yl]pyridine-4-carboxamide
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C[C@H]3C=C[C@H]([C@@H](O3)CO)NC(=O)C4=CC=NC=C4
Compound: LSM-8885
SMILES: CN1[C@H]2[C@H](CN3C2=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]([C@@H]1C(=O)NCCCN5CCOCC5)CO
Compound: LSM-8886
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: 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-[(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)CC5=CC=NC=C5
Compound: (3S,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2C(=O)NC3=CC(=CC=C3)OC)O
Compound: tritriacontane
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
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]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2S(=O)(=O)C3=CC=CC=C3F)O
Compound: 2-[(2R,4aS,12aR)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
SMILES: CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@@H](O4)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6)N(C3=O)C
Compound: 2-[(2R,3R,6R)-3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C=C[C@H]([C@@H](O2)CO)NC(=O)NC3=CC4=C(C=C3)OCO4
Compound: N-[(2S,4aS,12aR)-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: LSM-8893
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: 1-cyclohexyl-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-(2-morpholin-4-yl-2-oxoethyl)-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: C1CCC(CC1)NC(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)N3CCOCC3
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(2-pyridin-4-ylacetyl)amino]ethyl]oxan-3-yl]cyclobutanecarboxamide
SMILES: C1CC(C1)C(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCNC(=O)CC3=CC=NC=C3
Compound: 2-[(2R,4aS,12aS)-8-[(4-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-naphthalen-1-ylacetamide
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)NC5=CC=CC6=CC=CC=C65
Compound: 2-[(3S,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-benzylpyrrolidin-3-yl]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: LSM-8898
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: tritriacontane-16,18-dione
SMILES: CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCCCC
Compound: 2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(2-pyridin-2-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-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)CC3=CC=CC=N3
Compound: N-[(5R,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]-1,2-oxazole-5-carboxamide
SMILES: C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F
Compound: N-[(2R,4aS,12aS)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide
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)F)CC(=O)N(C)C
Compound: 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetic acid
SMILES: C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)O
Compound: 1-[[(3R,9S,10S)-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]-3-(4-fluorophenyl)-1-methylurea
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)NC3=CC=C(C=C3)F
Compound: N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyrimidin-5-ylmethyl)-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)CC3=CN=CN=C3
Compound: LSM-8906
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H](N2CC3=CN=CC=C3)C4=CC=CC(=O)N41)C(=O)NCC5=CC6=C(C=C5)OCO6)CO
Compound: N-[(5R,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]-1,2-oxazole-5-carboxamide
SMILES: C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=NO3)C(=O)N(C[C@@H]1OC)C)C
Compound: 2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-phenoxyphenyl)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=C(C=C4)OC5=CC=CC=C5
Compound: troglitazone
SMILES: Cc1c(C)c2OC(C)(CCc2c(C)c1O)COc1ccc(CC2SC(=O)NC2=O)cc1
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-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)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=CN=CC=C5
Compound: 3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN([C@@H](C)CO)C(=O)NC2=CC=CC=C2F)OC
Compound: N-[(2R,3S,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-[(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]benzamide
SMILES: CCC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)OC[C@@H]1C)C)OC)C
Compound: N-[(2R,3R,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-[2-[(2S,5R,6R)-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: (3R,6aR,8R,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)NC3=CC(=CC=C3)OC)O
Compound: 2-methoxy-N-[(4S,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]benzenesulfonamide
SMILES: C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C
Compound: LSM-8917
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: LSM-8918
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: (2R,3R,4R)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile
SMILES: COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@H]3C#N)CO
Compound: N-[(5S,6R,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]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: (2S,3S,3aR,9bR)-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-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
SMILES: COCC(=O)N[C@@H]1C=C[C@@H](O[C@H]1CO)CC(=O)N2CCCCC2
Compound: 2-fluoro-N-[(5R,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]benzenesulfonamide
SMILES: C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(4S,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: 1-(2,5-difluorophenyl)-3-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]ethyl]urea
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F
Compound: LSM-8926
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)[C@@H](C)CO
Compound: 2-[(3S,6aS,8R,10aS)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-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](CN3S(=O)(=O)C4=CC=C(C=C4)F)O
Compound: 2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]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)NS(=O)(=O)C4=CC=CC=C4
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-[(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)NS(=O)(=O)C5=CC=C(C=C5)F
Compound: (2R,3S,4R)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]azetidine-2-carbonitrile
SMILES: COC1=CC=CC=C1C#CC2=CC=C(C=C2)[C@@H]3[C@@H](N([C@H]3C#N)C(=O)C4CC4)CO
Compound: N-[(2S,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: methyl 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetate
SMILES: COC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CCC(F)(F)F)O
Compound: 3-chloro-N-[(2S,3R)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-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)Cl)OC
Compound: 2-[(3S,6aS,8R,10aS)-1-(3,5-dichlorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCC5=CC=CC=C5C4
Compound: (2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-1-propyl-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=CC(=CC=C4)F)[C@@H]([C@H]1C(=O)N[C@H](C)C5=CC=CC=C5)CO
Compound: N-[(2R,3R,6R)-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: 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]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: 2-[(3S,6aR,8S,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: N-[(2R,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
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)C2CCOCC2)OC
Compound: (2S,3S,3aR,9bR)-7-(cyclopenten-1-yl)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CC=C(C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5=CC=CC=C5F)C(=O)NCC6CC6)CO
Compound: LSM-8941
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C)[C@@H](C)CO
Compound: N-[(1S,3R,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: (2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-2-(piperidine-1-carbonyl)-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1-carboxamide
SMILES: CCCNC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]([C@H]1C(=O)N5CCCCC5)CO
Compound: N-[(5R,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC)C(=O)N(C[C@@H]1OC)C)C)CC4=CC=CC=C4F
Compound: 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4S,7R,8R)-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]urea
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(ON=C3C)C)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F
Compound: 1-(2-chlorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3Cl)C(=O)N(C[C@@H]1OC)C)C
Compound: LSM-8947
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: N-[(1S,3S,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: Tropicamide
SMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2
Compound: 2-[(3R,6aR,8R,10aR)-1-(1,3-benzodioxole-5-carbonyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclopentylacetamide
SMILES: C1CCC(C1)NC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3C(=O)C4=CC5=C(C=C4)OCO5)O
Compound: (2R,3R,3aS,9bS)-N-cyclohexyl-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CCC(CC1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC(=CC=C5)F)[C@H]3N2)CO
Compound: (3R)-2-[(R)-tert-butylsulfinyl]-N-cyclohexyl-4-[3-[3-(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(=CC=C4)C(=O)N(C)C)C(=O)NC5CCCCC5
Compound: 2-[(2S,4aS,12aR)-5-methyl-8-[(3-methylphenyl)carbamoylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-chlorophenyl)methyl]acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@H](O4)CC(=O)NCC5=CC=CC=C5Cl)N(C3=O)C
Compound: 1-[(1R,3R,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]-3-(2-fluorophenyl)urea
SMILES: C1COCCN1C(=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: N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
SMILES: C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2CCOCC2)OC
Compound: LSM-8955
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,3aR,9bR)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)OC)[C@@H]2N1C(=O)C5CC5)CO