MonarchInit/C3PO huggingface dataset:
Compound: LSM-11816
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C)[C@H](C)CO
Compound: LSM-11817
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO
Compound: N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide
SMILES: CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=NC=CN=C3)OC[C@@H]1C)C)OC)C
Compound: LSM-11819
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO
Compound: 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]-1,3-benzothiazole-2-carboxamide
SMILES: C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C
Compound: (3R,6aR,8R,10aR)-3-hydroxy-8-[2-oxo-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-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: (5S,6R,9R)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-N-propan-2-yl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)C(=O)NC(C)C
Compound: 2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]benzenesulfonamide
SMILES: C1COCCN1C(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=CC=C5
Compound: Wyerone
SMILES: CC\C=C/C#CC(=O)c1ccc(\C=C\C(=O)OC)o1
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
SMILES: CC(C)NC(=O)NCC[C@@H]1CC[C@H]([C@H](O1)CO)NC(=O)CCN2CCCCC2
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]acetic acid methyl ester
SMILES: COC(=O)C[C@@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2)O
Compound: 1-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC
Compound: LSM-11828
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)[C@H](C)CO
Compound: 2-fluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]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,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)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=CN=CC=C4
Compound: LSM-11831
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H](N2CC3=CC=NC=C3)C4=CC=CC(=O)N41)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)CO
Compound: 1-[(2R,3S)-4-[benzenesulfonyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC
Compound: 1-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea
SMILES: CC(C)NC(=O)N[C@@H]1CC[C@@H](O[C@H]1CO)CCN
Compound: LSM-11834
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=C(ON=C4C)C)[C@@H](C)CO
Compound: Wyerone acid
SMILES: CC\C=C/C#CC(=O)c1ccc(\C=C\C(O)=O)o1
Compound: LSM-11835
SMILES: C1CCC(C1)NC(=O)N2[C@H]3CN4C(=O)C=CC=C4[C@@H]2[C@@H]([C@H]3CO)C(=O)NCCCN5CCOCC5
Compound: 5-chlorospiro[indole-3,2'-[1,3]oxathiolan]-2(1H)-one
SMILES: Clc1ccc2NC(=O)C3(OCCS3)c2c1
Compound: (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester
SMILES: [C@H](OCCCCCCCCCCCC)(COCCCCCCCCCCCC)COC(CCCC(OC=1C(=C2C(=CC1)N=C3C(O2)=CC(C=C3)=O)C)=O)=O
Compound: 2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC(=CC(=C3)Cl)Cl)O)O[C@H]1CC(=O)N4CCC5=CC=CC=C5C4
Compound: 2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@@H](O[C@H]2CO)CC(=O)NCCN3CCCCC3
Compound: (2R,3R,3aS,9bS)-N-cyclobutyl-3-(hydroxymethyl)-6-oxo-1-(2-phenylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: C1CC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@H]3N2CCC5=CC=CC=C5)CO
Compound: (2S,3R,4R)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
SMILES: CCC1=CN=C(S1)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CC(=CC=C4)F)CO
Compound: N-[(2R,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide
SMILES: C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=CC=C1)[C@H](CN(C)C(=O)C2=NC=CN=C2)OC
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)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: 2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(3-pyridinylmethyl)acetamide
SMILES: C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CN=CC=C5
Compound: 2-[(2S,4aS,12aS)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5
Compound: LSM-11845
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: 2-[(3R,6aS,8R,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
SMILES: C1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC5=C(C=C4)OCO5)O
Compound: N-[(2R,4aR,12aR)-5-methyl-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide
SMILES: CN1CCN(CC1)C(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NC(=O)C5=CSC=N5)C(=O)N3C
Compound: 2-[(2S,5S,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
SMILES: CCS(=O)(=O)N[C@H]1CC[C@H](O[C@H]1CO)CC(=O)NCC2=CC=CC=N2
Compound: (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-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=C(C=C4)C#N)C(=O)NCC5=CC=NC=C5
Compound: N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
SMILES: CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCC(F)(F)F
Compound: 1-[(2R,3S)-4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]urea
SMILES: C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl)OC
Compound: N-[(4R,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide
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)C(=O)C
Compound: 2-[(2R,4aS,12aR)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
SMILES: CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)CC(=O)OC
Compound: XDP
SMILES: O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O
Compound: N-[(2R,3R,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-11855
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-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]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: N-[(2S,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: N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC)[C@H](C)CO
Compound: LSM-11859
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=CC=NC=C4)[C@H](C)CO
Compound: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
SMILES: COC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)OC)O
Compound: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-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: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(2-pyrazinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2C(=O)C3=NC=CN=C3)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)F
Compound: N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
SMILES: CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5
Compound: XTP
SMILES: O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O
Compound: (3S,6aS,8R,10aS)-8-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: CC1=C(C(=NO1)C)NC(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4CC4)O
Compound: 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O
Compound: LSM-11866
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4CC4)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: LSM-11867
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: 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridin-4-ylethyl)acetamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCCC3=CC=NC=C3
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F
Compound: 2-[(1R,3R,4aS,9aR)-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: LSM-11871
SMILES: C1CC=C(C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CN=CC=C5)CN3C2=O)CO)C(=O)NCC6=CC=CC=N6
Compound: LSM-11872
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: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)N3CCC(CC3)CC4=CC=CC=C4
Compound: XV638
SMILES: O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC=CC(=C2)C(=O)NC2=NC=CS2)C(=O)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)[C@@H]1CC1=CC=CC=C1
Compound: 2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
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: 2-[(2S,4aS,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4Cl)CC(=O)OC
Compound: LSM-11876
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CSC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: LSM-11877
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)OCC(C)C)[C@@H](C)CO
Compound: (2R,3R,3aS,9bS)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(2-fluorophenyl)-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one
SMILES: C1CN(CC2=CC=CC=C21)C(=O)[C@H]3[C@@H]([C@H]4CN5C(=CC=C(C5=O)C6=CC=CC=C6F)[C@H]4N3)CO
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]benzofuran-6-yl]-4-oxanecarboxamide
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-[(5R,6R,9R)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CC3=CC=C(C=C3)F)C)OC)C
Compound: N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
SMILES: C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6
Compound: 2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-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: 2-[(2R,4aR,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
SMILES: CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4)CC(=O)O
Compound: 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]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: N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[(2-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
SMILES: COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)CC4=CN=CC=C4
Compound: 3-(2-fluorophenyl)-1-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]urea
SMILES: C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=CC=C1F)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC
Compound: N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]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: 2-[(3S,6aS,8S,10aS)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide
SMILES: CN1C[C@@H](COC[C@@H]2[C@@H]1CC[C@H](O2)CC(=O)NC3CCC3)O
Compound: 1-(3-chlorophenyl)-3-[(4R,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]urea
SMILES: C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C(=O)N(C[C@@H]1OC)C)C
Compound: N-[(2R,3R,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
SMILES: C1C[C@H]([C@@H](O[C@H]1CC(=O)NC2=CC=CC=C2)CO)NC(=O)C3CC3
Compound: N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-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: LSM-11893
SMILES: CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)NCC4=CC=NC=C4)[S@@](=O)C(C)(C)C)CCO
Compound: 2-[(1S,3R,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5
Compound: LSM-11895
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: 2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F
Compound: (2S,3S,3aR,9bR)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-phenyl-1-(3,3,3-trifluoropropyl)-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)[C@@H]2N1CCC(F)(F)F)CO
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-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC
Compound: N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-thiazolylamino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
SMILES: C1CCN(CC1)CCC(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CC(=O)NC3=NC=CS3
Compound: 2-[(2S,4aR,12aS)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC[C@@H]4[C@@H](CC[C@H](O4)CC(=O)NCC5=CC=CC=C5OC)N(C3=O)C
Compound: 2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
SMILES: C1[C@@H](O[C@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6
Compound: 3-methoxy-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]benzamide
SMILES: C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)C(=O)N(C[C@H]1OC)C)C
Compound: LSM-11903
SMILES: C1[C@H]2[C@@H]([C@H](N([C@H]2C3=CC=C(C(=O)N31)C=CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6)C(=O)O)CO
Compound: 2-fluoro-N-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide
SMILES: C[C@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
SMILES: C1CCN(CC1)CCNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5
Compound: (2S,3S,3aR,9bR)-1-acetyl-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-N-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CCCC4)[C@@H]([C@H]1C(=O)NC5=CC=CC=C5)CO
Compound: 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN([C@@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC
Compound: N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@@H](O[C@@H]2CO)CCNC(=O)C3=NC=CN=C3
Compound: 2-[(3R,6aR,8S,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-methyl-1-piperazinyl)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: 1-(2,5-difluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]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: N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
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)F)CC(=O)N[C@H]5CCN(C5)CC6=CC=CC=C6
Compound: LSM-11912
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO
Compound: LSM-11913
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: 2-[(1R,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: N-[(5S,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: LSM-11916
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-[(2R,4aS,12aR)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide
SMILES: CC(C)C(=O)NC1=CC2=C(C=C1)OC[C@H]3[C@H](CC[C@@H](O3)CC(=O)NCC4=CC=C(C=C4)OC)N(C2=O)C
Compound: 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]-3,5-dimethyl-4-isoxazolesulfonamide
SMILES: C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(ON=C3C)C)C(=O)N(C[C@H]1OC)C)C
Compound: LSM-11919
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO
Compound: 1-[(2R,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-[(2S,4aS,12aR)-5-methyl-2-[2-(4-morpholinyl)-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: 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
SMILES: COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O
Compound: 2-[(2S,4aR,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: Xamoterol
SMILES: OC(CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1
Compound: 1-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2R)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)CC2=C(C=CC(=C2)F)F)OC
Compound: N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
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)C5CCOCC5
Compound: N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CN(C=N3)C)C(=O)N(C[C@@H]1OC)C)C)CC4CC4
Compound: 2-[(2S,5S,6S)-5-[[(cyclohexylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-(2-methoxyethyl)acetamide
SMILES: COCCNC(=O)C[C@@H]1CC[C@@H]([C@H](O1)CO)NC(=O)NC2CCCCC2
Compound: N-[(2R,4aR,12aR)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide
SMILES: CN1[C@@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCCCC4)CC(=O)NCC5=CC=CC=C5F
Compound: 2-[(2R,4aR,12aS)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide
SMILES: CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC)CC(=O)NCCC5=CC=CC=C5
Compound: N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NCCC5=CC=NC=C5
Compound: N-[(2R,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide
SMILES: C[C@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)C(=O)C2CC2)OC
Compound: 1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea
SMILES: C[C@@H](CN([C@@H](C)CO)C(=O)NC1=CC=C(C=C1)F)[C@@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC
Compound: 2-[(3R,6aR,8S,10aR)-1-[cyclopentyl(oxo)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N,N-dimethylacetamide
SMILES: CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](O1)COC[C@@H](CN2C(=O)C3CCCC3)O
Compound: xanomeline
SMILES: CCCCCCOc1nsnc1C1=CCCN(C)C1
Compound: 1-[(2S,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-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=CC3=C(C=C2)OCO3)OC
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]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: 2-cyclopropyl-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-oxanyl]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC[C@H]2CC[C@H]([C@H](O2)CO)NC(=O)CC3CC3
Compound: LSM-11937
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: (2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: CN(C)CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]2N1CCC(F)(F)F)CO
Compound: N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: COC1=CC=CC=C1CNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5=CN=CC=C5
Compound: N-[(1S,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
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: LSM-11941
SMILES: C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@H](C)CO
Compound: LSM-11942
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: N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]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: 9H-xanthene
SMILES: C1=2C(OC3=CC=CC=C3C1)=CC=CC2
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]benzofuran-6-yl]-4-oxanecarboxamide
SMILES: C1COCCC1C(=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: N-[(2S,4aS,12aS)-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]-4-oxanecarboxamide
SMILES: CN1[C@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC
Compound: 1-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-8-[4-oxanyl(oxo)methyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@H](CO2)C)C(=O)C3CCOCC3)C)OC)C
Compound: LSM-11947
SMILES: CCC1=CSC(=N1)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=C(C=C3)C=CC)CO
Compound: 2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-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-11949
SMILES: C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=C(C=C4)F)[C@H](C)CO
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]-1-methyl-3-(1-naphthalenyl)urea
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=CC4=CC=CC=C43
Compound: N-[(2S,4aR,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-[(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]benzofuran-6-yl]-3-pyridinecarboxamide
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C[C@H]3C[C@@H]4[C@H]([C@H](O3)CO)OC5=C4C=C(C=C5)NC(=O)C6=CN=CC=C6
Compound: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)N4CCC(CC4)CC5=CC=CC=C5
Compound: Xanthatin
SMILES: C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O
Compound: 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)COC
Compound: N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=NC=CS4
Compound: 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(3-pyridin-4-ylphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone
SMILES: C1C[C@H]2[C@@H](COC[C@H](CN2CC3=CC=CC(=C3)C4=CC=NC=C4)O)O[C@H]1CC(=O)N5CCOCC5
Compound: N-[(2S,4aR,12aR)-2-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-thiazolecarboxamide
SMILES: CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CSC=N4)CC(=O)NCC5=CC(=C(C=C5)Cl)Cl
Compound: (2S,3S,3aR,9bR)-7-(2-fluorophenyl)-3-(hydroxymethyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
SMILES: CCCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4F)[C@@H]([C@H]1C(=O)N5CCN(CC5)C)CO
Compound: N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
SMILES: C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CCCC3)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C
Compound: 2-[(3R,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-(phenylmethyl)-3-pyrrolidinyl]acetamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)O
Compound: LSM-11961
SMILES: C1CC=C(C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NC5CC6=CC=CC=C6C5
Compound: N-[(2S,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
SMILES: C1CC1CNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=CC=NC=C3
Compound: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5)O
Compound: N-[(5R,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4=C(C=CC(=C4)F)F
Compound: LSM-11965
SMILES: CN1[C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@@H]1[C@@H]([C@H]2CO)C(=O)NCCC5=CC=CC=C5
Compound: LSM-11966
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: 2-[(2R,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
SMILES: COC(=O)C[C@H]1CC[C@H]([C@@H](O1)CO)NS(=O)(=O)C2=CC=CC=C2F
Compound: N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=C(C=CC(=C6)F)F
Compound: 2-[(2S,4aR,12aR)-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-[(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,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
SMILES: CN(C)CC(=O)N1[C@@H]([C@H]([C@@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO
Compound: LSM-11971
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: 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILES: C1C[C@H]2[C@@H](COC[C@@H](CN2CC3=COC=N3)O)O[C@H]1CC(=O)NCC4=CC(=CC=C4)F
Compound: (2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[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=C(C=C4)F)[C@H]2N1)CO
Compound: 1-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]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: N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide
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: LSM-11976
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: (5S,6R,9R)-14-[[cyclopropyl(oxo)methyl]amino]-N-(2-fluorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)NC4=CC=CC=C4F
Compound: 3-fluoro-N-[(4R,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]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: N-[(4R,7R,8S)-5-(benzenesulfonyl)-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-methylbenzenesulfonamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=CC=C4
Compound: LSM-11980
SMILES: CN1C=C(N=C1)S(=O)(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@H]2[C@H]([C@@H]3CO)C(=O)N(C)C
Compound: (2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
SMILES: C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)C4=CC=CC=N4)CO
Compound: 2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]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)N[C@H]5CCN(C5)CC6=CC=CC=C6
Compound: (2S,3R,4R)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
SMILES: CN(C)CC(=O)N1[C@H]([C@@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO
Compound: Xanthinin
SMILES: C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1C(CC(C)=O)OC(C)=O
Compound: 2-fluoro-N-[(2R,3S)-4-[[(2R)-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: 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=COC=N3)O)O[C@H]1CC(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5
Compound: N-[(4R,7R,8S)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3=C(C=CC(=C3)F)F
Compound: LSM-11987
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: 2-[(3R,6aS,8R,10aS)-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]-N-[(2-chlorophenyl)methyl]acetamide
SMILES: CC1=CC=CC=C1S(=O)(=O)N2C[C@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC=CC=C4Cl)O
Compound: 2-[(3R,6aR,8R,10aR)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-phenylethyl)acetamide
SMILES: C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC=C(C=C3)Cl)O)O[C@H]1CC(=O)NCCC4=CC=CC=C4
Compound: N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3
Compound: 2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-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: 2-[(2R,4aR,12aR)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(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: [(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone
SMILES: CC(C)(C)S(=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC)C(=O)N5CCN(CC5)C
Compound: N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CC5CC5
Compound: LSM-11995
SMILES: C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC
Compound: N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-fluorobenzamide
SMILES: CN(C)C(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)C2=CC=C(C=C2)F
Compound: LSM-11997
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)[C@H](C)CO
Compound: LSM-11998
SMILES: C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](C4=CC=CC=C4)OC)[C@@H](C)CO
Compound: N-[(1S,3R,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-[(2R,4aS,12aR)-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: 2-[(2R,4aS,12aS)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide
SMILES: CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5
Compound: (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-6-oxo-N-phenyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILES: COCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CN=CC=C4)[C@@H]([C@H]1C(=O)NC5=CC=CC=C5)CO
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-[(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: N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-oxanyl]-3-pyridinecarboxamide
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)C3=CN=CC=C3
Compound: 2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide
SMILES: C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5
Compound: 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(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: 1-(2-fluorophenyl)-3-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]urea
SMILES: CN1CCN(CC1)C(=O)C[C@H]2C=C[C@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F
Compound: 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]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: (2S,3S,3aR,9bR)-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxo-N1-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide
SMILES: CC(C)NC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@@H]([C@H]1C(=O)NCC5CC5)CO
Compound: N-[(4R,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]-5-methyl-3-isoxazolecarboxamide
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-fluoro-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]benzamide
SMILES: C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)N(C[C@H]1OC)C)C
Compound: 1-[(4S,7R,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
SMILES: CCCNC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)C(=O)C3=CC=CC=C3F)C
Compound: LSM-12013
SMILES: C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[C@H](C)CO
Compound: N-[2-[(2R,5R,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(4-morpholinyl)acetamide
SMILES: C1C[C@H]([C@H](O[C@H]1CCNC(=O)CN2CCOCC2)CO)NS(=O)(=O)C3=CC=C(C=C3)F
Compound: N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(2-pyridinyl)ethyl]-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: (3R,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILES: COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O
Compound: LSM-12017
SMILES: CN1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@H]2N3C(=O)CN(C)C)CO
Compound: N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
SMILES: C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@@H]1OC)C)C)CC4=CN=CC=C4
Compound: N-[(2S,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: 2-[(2R,3S,6R)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
SMILES: C1=CC=C(C=C1)S(=O)(=O)N[C@H]2C=C[C@H](O[C@H]2CO)CC(=O)NCC3=CC(=C(C=C3)Cl)Cl
Compound: 1-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO)C)CN(C)C
Compound: LSM-12022
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-12023
SMILES: CC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)N(C)C
Compound: N-[(4S,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-fluorobenzamide
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)C(=O)C
Compound: N-[(1R,3R,4aR,9aS)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
SMILES: C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl
Compound: 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)Cl
Compound: N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-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-[(4R,7R,8R)-5-(2-cyclopropyl-1-oxoethyl)-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-phenylurea
SMILES: C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)CC4CC4
Compound: 3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzenesulfonamide
SMILES: CN1CCN(CC1)C(=O)C[C@@H]2C=C[C@@H]([C@@H](O2)CO)NS(=O)(=O)C3=CC=CC(=C3)F
Compound: (2S,3S,4R)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile
SMILES: CN(C)CC(=O)N1[C@H]([C@H]([C@H]1C#N)C2=CC=C(C=C2)C3=CC=CC=C3OC)CO
Compound: 2-[(2R,4aR,12aR)-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: 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
SMILES: CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)Cl
Compound: 2-fluoro-N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide
SMILES: C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC
Compound: LSM-12034
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H](N2)C3=CC=C(C(=O)N31)C4=CC(=CC=C4)F)C(=O)NCC5=CC=CC=C5)CO