MonarchInit/C3PO huggingface dataset:
Compound: 1-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-cyclopentylurea
SMILES: C1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5
Compound: N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(5-pyrimidinylmethyl)-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: N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]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: Trifolirhizin
SMILES: OC[C@H]1O[C@@H](Oc2ccc3[C@@H]4Oc5cc6OCOc6cc5[C@@H]4COc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: C1C[C@@H]([C@H](O[C@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)CC3=CC=CC=N3
Compound: 2-[(1S,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]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-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
SMILES: CCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC=NC=C3)C
Compound: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2CCC(F)(F)F)O
Compound: N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=CC=CC=N4
Compound: 1-[(2S,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: [(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone
SMILES: CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)N5CCOCC5
Compound: (3S)-4-[3-(2-benzofuranyl)phenyl]-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid
SMILES: CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC(=CC=C3)C4=CC5=CC=CC=C5O4)C(=O)O
Compound: 1-[(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]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: LSM-8528
SMILES: C1COCCN1C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@@H]2N3CC6=CN=CC=C6)CO
Compound: triforine
SMILES: ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl
Compound: N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]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: 2-[(2R,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: (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[3-[dimethylamino(oxo)methyl]phenyl]phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
SMILES: CCNC(=O)C1=NC(=C2[C@H](N(CC2=C1)[S@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C
Compound: (2R,3S,4S)-1-ethylsulfonyl-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
SMILES: CCS(=O)(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC(=CC=C3)F)CO
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-3-oxanyl]cyclopropanecarboxamide
SMILES: CC(C)C1=CN(N=N1)CC[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3CC3
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(5-pyrimidinyl)phenyl]-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=CN=CN=C4)C(=O)NCC5=CC=CC=C5F
Compound: (2S,3R,4R)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]-2-azetidinecarbonitrile
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: 2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=CC=C4
Compound: 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2CC3CCOCC3)O)O[C@@H]1CC(=O)NCC4CC4
Compound: (2R,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
SMILES: CCC1=CN=C(S1)N2[C@@H]([C@@H]([C@@H]2C#N)C3=CC=C(C=C3)C4=CCCCC4)CO
Compound: N-[(5R,6S,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-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: 1-(2,5-difluorophenyl)-3-[(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]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: 2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
SMILES: C1CCC(CC1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F
Compound: LSM-8542
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@H](C)CO
Compound: N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
SMILES: C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)CO)NC(=O)C4=CC5=C(C=C4)OCO5
Compound: LSM-8544
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: LSM-8545
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: (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(4-oxazolylmethyl)-6-oxo-N-(phenylmethyl)-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=C(C(=O)N31)C4=CN=CC=C4)CC5=COC=N5)C(=O)NCC6=CC=CC=C6)CO
Compound: 2-[(2R,4aS,12aS)-8-[(2-methoxy-1-oxoethyl)amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(4-fluorophenyl)acetamide
SMILES: CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)COC)CC(=O)NC4=CC=C(C=C4)F
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
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)NC5CCCCC5
Compound: Triglochinin
SMILES: OC[C@H]1O[C@@H](O\C(C#N)=C(CC(O)=O)\C=C/C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
SMILES: COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@H]3CO)CC(=O)NCC4=CC=CC=C4F
Compound: 2-[(2R,4aR,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
SMILES: 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-[(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-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4
Compound: 1-(2-chlorophenyl)-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=C3Cl)C(=O)N(C[C@@H]1OC)C)C
Compound: N-cyclobutyl-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CC(=O)NC3CCC3
Compound: 2-methoxy-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]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: 2-[(2R,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide
SMILES: CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@@H](CC[C@@H](O3)CC(=O)NCCOC)N(C2=O)C
Compound: N-[(3,5-difluorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide
SMILES: C1C[C@H]([C@@H](O[C@H]1CC(=O)NCC2=CC(=CC(=C2)F)F)CO)NC(=O)NC3=CC=C(C=C3)C(F)(F)F
Compound: (3S,6aS,8R,10aS)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC5=C(C=C4)OCO5)O
Compound: (3S,6aS,8R,10aS)-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: Trigonelloside C
SMILES: C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: (4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)NCCC)C
Compound: (2R,3R,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
SMILES: CCCNC(=O)N1[C@@H]([C@@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3F)CO
Compound: 2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)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=C(C=CC(=C4)F)F
Compound: LSM-8562
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: N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide
SMILES: C1C[C@H]([C@H](O[C@H]1CC(=O)N2CCOCC2)CO)NC(=O)C3=CC=CC=N3
Compound: 2-[(1S,3R,4aS,9aR)-6-amino-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)N
Compound: N-[(2S,3S)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
SMILES: C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)Cl)[C@@H](CN(C)C(=O)C2=NC=CN=C2)OC
Compound: 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
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)N5CCCCC5
Compound: 2-[(3R,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-pyridin-4-ylethyl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)NCCC3=CC=NC=C3
Compound: N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5
Compound: 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4CC4
Compound: 2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide
SMILES: C1CC(C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC=CC=C4F)O
Compound: N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4=CN=CC=C4
Compound: 1-[(2R,3S,6S)-6-[2-[4-(3-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-propylurea
SMILES: CCCNC(=O)N[C@H]1CC[C@H](O[C@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F
Compound: 2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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)OC
Compound: 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC(F)(F)F
Compound: LSM-8575
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=CC=NC=C4)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: 2-[(1S,3R,4aS,9aR)-6-(cyclopentylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]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=CC=C5F
Compound: (2S,3S,3aR,9bR)-1-acetyl-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=CC3=O)[C@@H]([C@H]1C(=O)NCC4=CC=CC=C4F)CO
Compound: 2-[(2S,4aS,12aR)-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: Trihexyphenidyl
SMILES: OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
Compound: 2-[(3R,6aS,8S,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: N-[(2S,3S)-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=CC=C2)OC
Compound: N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(1-methylimidazol-4-yl)sulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C3=CN(C=N3)C
Compound: N-[(5S,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]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN[C@@H](CO2)C)C)OC)C
Compound: N-[(2R,3S,6S)-6-[2-(4-benzyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-2-fluorobenzenesulfonamide
SMILES: C1C[C@@H]([C@@H](O[C@@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NS(=O)(=O)C4=CC=CC=C4F
Compound: 3-chloro-N-[(2R,3R)-4-[(4-fluorophenyl)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)F)OC
Compound: 2-[(1R,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: (2R,3S,4R)-2-cyano-N-(4-fluorophenyl)-4-(hydroxymethyl)-3-(4-pyridin-3-ylphenyl)azetidine-1-carboxamide
SMILES: C1=CC(=CN=C1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@H]3C#N)C(=O)NC4=CC=C(C=C4)F)CO
Compound: 2-[(3S,6aS,8R,10aS)-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: LSM-8588
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: Trihexyphenidyl hydrochloride
SMILES: Cl.C1=CC=CC(=C1)C(C2CCCCC2)(CCN3CCCCC3)O
Compound: 3-fluoro-N-[(2S,3S,6S)-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: (2S,3S,3aR,9bR)-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: COC1=CC=CC=C1C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)NCC5=CC=CC=C5Cl)CO
Compound: N-[(1R,3S,4aS,9aR)-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: 2-[(3S,6aS,8S,10aS)-1-[(3-chlorophenyl)methyl]-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](CN3CC4=CC(=CC=C4)Cl)O
Compound: 1-(2-fluorophenyl)-3-[(4S,7R,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,3R,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: LSM-8595
SMILES: CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]([C@H]1C(=O)NC5=NC=CS5)CO
Compound: N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
SMILES: C1C[C@@H]([C@H](O[C@H]1CCNS(=O)(=O)C2=CC=C(C=C2)Cl)CO)NC(=O)C3=CC=CC=N3
Compound: N-[(1R,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-[(4R,7R,8R)-8-methoxy-5-[(4-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-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)CC4=CC=C(C=C4)OC
Compound: LSM-8599
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: LSM-8600
SMILES: CN(C)CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2CC4CC4)CO
Compound: 2-[(1R,3R,4aS,9aR)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILES: C1[C@@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4F)CO)CC(=O)NCC5=CC6=C(C=C5)OCO6
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]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: LSM-8603
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-(2-methoxyphenyl)-3-[(4S,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]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: (2R,3R,4S)-1-(2-fluorobenzoyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](N([C@H]2C#N)C(=O)C3=CC=CC=C3F)CO
Compound: 3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R,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: LSM-8607
SMILES: CN(C)CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]1N2CC5=COC=N5)CO
Compound: N-[(2R,4aR,12aR)-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: Trilobine
SMILES: COc1ccc2C[C@@H]3N(C)CCc4cc5Oc6c(OC)cc7CCN[C@@H](Cc8ccc(Oc1c2)cc8)c7c6Oc5cc34
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)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=C4F)C(=O)NC5CCC5
Compound: 2-[(1R,3S,4aS,9aR)-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: 2-fluoro-N-[(5R,6S,9R)-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]benzamide
SMILES: CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC[C@H]1C)C)OC)C
Compound: N-[(2S,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: LSM-8613
SMILES: CCCN1[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)OC
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclopentylacetamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)NC4CCCC4
Compound: 2-[(2R,3R,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILES: C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: LSM-8616
SMILES: CCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1N2C(=O)C5=CC=CC=N5)CO
Compound: 1-[(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]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@@H]([C@H](CN(C2=O)C)OC)C)C
Compound: N-[(4R,7S,8R)-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: Trilobolide
SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O
Compound: LSM-8619
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: N-[(2S,3R,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
SMILES: C1C[C@H]([C@H](O[C@H]1CC(=O)NC2=CC=CC=C2)CO)NC(=O)C3CC3
Compound: 1-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea
SMILES: C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC
Compound: N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6
Compound: N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-3-ylmethyl)-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)CC4=CN=CC=C4
Compound: 2-[(3S,6aS,8S,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-fluoro-N-[(4R,7R,8S)-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]benzenesulfonamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C
Compound: 2-[(2R,3R,6S)-3-[(2-fluorobenzoyl)amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
SMILES: C1=CC=C(C(=C1)C(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)O)F
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]oxan-3-yl]-1,3-benzodioxole-5-carboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CC4=C(C=C3)OCO4
Compound: (2S,3R,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)azetidine-2-carbonitrile
SMILES: CCCC#CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@@H]2C#N)S(=O)(=O)C)CO
Compound: Trimeprazine
SMILES: CC(CN(C)C)CN1c2ccccc2Sc2ccccc12
Compound: N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(2-morpholin-4-ylacetyl)-11-oxo-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)C(=O)CN4CCOCC4
Compound: N-[(4S,7R,8S)-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-[(1S,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: 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(pyridin-4-ylmethyl)-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](CN2CC3=CC=NC=C3)O
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-(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: 1-[(2S,3R,6S)-6-[2-[4-(3-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-propylurea
SMILES: CCCNC(=O)N[C@@H]1CC[C@H](O[C@@H]1CO)CCN2C=C(N=N2)C3=CC(=CC=C3)F
Compound: 2-[(2R,4aR,12aS)-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-[(4-chlorophenyl)methyl]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)NCC5=CC=C(C=C5)Cl)N(C3=O)C
Compound: (2R,3S,4R)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](N([C@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO
Compound: 4-chloro-N-[[(3R,9R,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]-N-methylbenzenesulfonamide
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)S(=O)(=O)C3=CC=C(C=C3)Cl
Compound: 2-[(3R,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: N-[(4S,7S,8R)-8-methoxy-5-[(4-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-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)CC4=CC=C(C=C4)OC
Compound: 1-(3-fluorophenyl)-3-[(4S,7S,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)COC
Compound: LSM-8641
SMILES: CC1=CC=CC=C1S(=O)(=O)N2[C@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@@H]2[C@@H]([C@H]3CO)C(=O)OC
Compound: N-[(2S,3R)-4-[(4-fluorophenyl)carbamoyl-[(2R)-1-hydroxypropan-2-yl]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)F)[C@@H](CN(C)C(=O)C2CCOCC2)OC
Compound: LSM-8643
SMILES: C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC
Compound: N-[(2S,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: N-[(2S,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILES: C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC
Compound: 2-[(2S,4aR,12aS)-8-(ethylsulfonylamino)-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: CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H]3[C@@H](CC[C@H](O3)CC(=O)N[C@H]4CCN(C4)CC5=CC=CC=C5)N(C2=O)C
Compound: 3-fluoro-N-[(4R,7R,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]benzamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C
Compound: (3S,6aS,8S,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: trimethadione
SMILES: CN1C(=O)OC(C)(C)C1=O
Compound: (3R,6aS,8S,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O
Compound: N-[(1R,3R,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]oxane-4-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)C5CCOCC5
Compound: LSM-8651
SMILES: CN(C)C(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]1N2C(=O)C5CCC5)CO
Compound: methyl 2-[(1R,3S,4aS,9aR)-6-(cyclopentylcarbamoylamino)-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)NC(=O)NC4CCCC4
Compound: 2-[(3R,6aS,8R,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=CC(=CC(=C3)F)F)O)O[C@H]1CC(=O)NC4=NC=CS4
Compound: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3CC4=CC=CC(=C4)C5=CC=NC=C5)O
Compound: N-[(2S,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=CC=C2)OC
Compound: 2-[(3R,6aS,8S,10aS)-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-[(2R,3R,6R)-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: 2-[(2S,4aS,12aS)-8-(benzylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NCC4=CC=CC=C4)CC(=O)N(C)C
Compound: trimethaphan
SMILES: O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1
Compound: LSM-8659
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC5=C(C=C4)OCO5)[C@H](C)CO
Compound: N-[(2S,4aR,12aS)-2-[2-(cyclohexylmethylamino)-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)NCC5CCCCC5
Compound: N-[(2S,3R,6R)-6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
SMILES: C1C[C@H]([C@H](O[C@H]1CC(=O)NCC2=CC=CC=C2Cl)CO)NC(=O)C3CCOCC3
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]-1,3-benzodioxole-5-carboxamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CC6=C(C=C5)OCO6
Compound: N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-(1-methylimidazol-4-yl)sulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C3=CN(C=N3)C
Compound: (2S,3R,4R)-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: N-[(5S,6S,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: 1-[(2R,3R,6R)-6-[2-(4-benzyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(3-chlorophenyl)urea
SMILES: C1C[C@H]([C@@H](O[C@H]1CCN2C=C(N=N2)CC3=CC=CC=C3)CO)NC(=O)NC4=CC(=CC=C4)Cl
Compound: N-[(1S,3S,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-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)NCC5=CC6=C(C=C5)OCO6
Compound: N-[(2R,4aS,12aR)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]methanesulfonamide
SMILES: CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)N4CCOCC4
Compound: trimethaphan camsylate
SMILES: CC1(C)[C@@H]2CC[C@@]1(CS([O-])(=O)=O)C(=O)C2.O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1
Compound: 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
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)NC5CCCCC5
Compound: 2-[(2S,3R,6S)-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: 1-[(4R,7S,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]-3-(3-methoxyphenyl)urea
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4
Compound: 2-fluoro-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
SMILES: CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)OC[C@@H]1C)C)OC)C
Compound: 2-[(1S,3S,4aR,9aS)-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,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide
SMILES: CC(C)NC(=O)N1[C@@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO
Compound: N-[(2S,3S,6S)-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-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NC3=NC=CS3
Compound: LSM-8677
SMILES: CS(=O)(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@@H]1[C@@H]([C@H]2CO)C(=O)N5CCCCC5
Compound: LSM-8678
SMILES: C1CCC(=CC1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5CC5)CN3C2=O)CO)C(=O)NCCC6=CC=NC=C6
Compound: N-[(2R,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILES: C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC
Compound: (2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-N-(2-piperidin-1-ylethyl)-7-pyridin-3-yl-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CCN(CC1)CCNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@@H]3N2)CO
Compound: LSM-8681
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: (2S,3S,4S)-4-(hydroxymethyl)-1-(2-phenylacetyl)-3-(4-pyrimidin-5-ylphenyl)azetidine-2-carbonitrile
SMILES: C1=CC=C(C=C1)CC(=O)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CN=CN=C4)CO
Compound: (2R,3R,3aS,9bS)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-propanoyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CCC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4OC)[C@H]([C@@H]1C(=O)NCCCN(C)C)CO
Compound: LSM-8684
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)C4=CC=CC=C4N2C)[C@H](C)CO
Compound: LSM-8685
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-[(3S,6aS,8R,10aS)-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: N-[(2S,4aR,12aR)-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: LSM-8688
SMILES: C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)C#N)OC[C@H]3[C@@H](CC[C@H](O3)CCN(C1=O)C)OC)C)OC
Compound: N-[(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]-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: LSM-8690
SMILES: C1CC1CN2[C@@H]3CN4C(=O)C=CC=C4[C@H]2[C@H]([C@@H]3CO)C(=O)N5CCC6=CC=CC=C6C5
Compound: N-[(1R,3R,4aS,9aR)-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: LSM-8692
SMILES: CS(=O)(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)N5CCCCC5
Compound: 2-[(3R,6aR,8S,10aR)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(pyrimidin-4-ylmethyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@@H]1CC(=O)NCC4=NC=NC=C4
Compound: (2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
SMILES: C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=C(C(=O)N31)C4=CC(=CC=C4)F)C(=O)C5=CC=CC=N5)C(=O)O)CO
Compound: (2S,3R,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide
SMILES: CC(C)NC(=O)N1[C@@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=C(C=C3)F)CO
Compound: 1-[(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]-3-(3-methoxyphenyl)urea
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4
Compound: 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclopentylacetamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NC4CCCC4
Compound: N-[2-[(2R,5S,6R)-5-(1,3-benzodioxole-5-carbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILES: C1C[C@@H]([C@@H](O[C@H]1CCNC(=O)C2=NC=CN=C2)CO)NC(=O)C3=CC4=C(C=C3)OCO4
Compound: N-[(2R,3R,6R)-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: (4S,7R,8R)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-14-[(3-fluorophenyl)carbamoylamino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)C(=O)NC4=C(ON=C4C)C
Compound: N-[(2R,3R,6S)-6-[2-[(3,5-dichlorobenzoyl)amino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCNC(=O)C2=CC(=CC(=C2)Cl)Cl)CO)NC(=O)C3CCOCC3
Compound: 3-chloro-N-[(2R,3S)-4-[(3-chlorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
SMILES: C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC(=CC=C2)Cl)OC
Compound: 2-[(2S,3R,6R)-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: 3-fluoro-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]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: LSM-8705
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: (3S,6aS,8S,10aS)-3-hydroxy-8-[2-[2-(1-methylimidazol-4-yl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CN1C=C(N=C1)CCNC(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3C(=O)NC4=CC=C(C=C4)C(F)(F)F)O
Compound: N-[(2S,3R)-4-[[(2S)-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,4aR,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-[(4-phenylphenyl)methyl]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)NCC5=CC=C(C=C5)C6=CC=CC=C6
Compound: 3-fluoro-N-[(2S,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: (2R,3R,4R)-4-(hydroxymethyl)-3-[4-[2-(3-methoxyphenyl)ethynyl]phenyl]-1-(pyridine-2-carbonyl)azetidine-2-carbonitrile
SMILES: COC1=CC=CC(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4=CC=CC=N4)CO
Compound: 1-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-methoxyphenyl)urea
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4
Compound: 2-[(3R,6aR,8S,10aR)-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: N-[2-[(2S,5R,6S)-5-[(4-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCNC(=O)C2=CC3=C(C=C2)OCO3)CO)NS(=O)(=O)C4=CC=C(C=C4)Cl
Compound: LSM-8714
SMILES: CS(=O)(=O)N1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC4=CC=CC=C4
Compound: N-[(2R,3R,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: LSM-8716
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CSC=C4)[C@H](C)CO
Compound: 2-[(2S,3S,6S)-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: 2-[(1R,3R,4aR,9aS)-6-[(2-fluorophenyl)carbamoylamino]-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)NC4=CC=CC=C4F
Compound: LSM-8719
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: 2-[(3S,6aR,8S,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
SMILES: CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@H](CN2CC3=CC(=C(C=C3)Cl)Cl)O
Compound: N-[(2S,3S)-4-[benzenesulfonyl-[(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=CC=C1)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC
Compound: 2-[(3R,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: [(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyrimidin-5-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=CN=CN=C4)C(=O)N5CCC6=CC=CC=C6C5
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-(2-pyridin-4-ylethyl)-4-(3-pyridin-3-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=CN=CC=C4)C(=O)NCCC5=CC=NC=C5
Compound: N-[(5S,6R,9S)-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-[(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]-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-[(2R,3S,6R)-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: LSM-8728
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)[C@@H](C)CO
Compound: Trimethylenetetraurea
SMILES: NC(=O)NCNC(=O)NCNC(=O)NCNC(N)=O
Compound: 4-chloro-N-[(2S,3S)-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: N-[(2R,3R,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: (2R,3R,3aS,9bS)-7-(cyclohexen-1-yl)-3-(hydroxymethyl)-1-(2-methoxyacetyl)-2-(morpholine-4-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
SMILES: COCC(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CCCCC4)[C@H]([C@@H]1C(=O)N5CCOCC5)CO
Compound: N-[(2S,4aS,12aS)-5-methyl-2-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5
Compound: LSM-8733
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: 2-[(3S,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: LSM-8735
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)[C@@H](C)CO