SMILES for Botulinum neurotoxin type A [1-429]

36 SMILES Strings for Botulinum neurotoxin type A [1-429]

Compound Name

SMILES String

BDBM506807

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C |r|

BDBM506808

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C |r|

BDBM506810

CCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|

BDBM506811

CCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|

BDBM506812

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCO |r|

BDBM506813

CCCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|

BDBM506814

COCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|

BDBM506815

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCO |r|

BDBM506816

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCOCc1ccccc1 |r|

BDBM506817

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCOCc1ccccc1 |r|

BDBM506818

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCCN(C)C |r|

BDBM506819

CNCCCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|

BDBM506820

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCNCc1ccc(F)cc1 |r|

BDBM506821

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1Cc1ccccc1 |r|

BDBM506823

CCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C |r|

BDBM506824

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1)c1ccnn1C(C)C |r|

BDBM506825

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1C)c1ccnn1C(C)C |r|

BDBM506826

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)c(C)c1)c1ccnn1C(C)C |r|

BDBM506827

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1ccnn1C(C)C |r|

BDBM506828

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1C)c1ccnn1C |r|

BDBM506829

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1C)c1ccnn1C1CC1 |r|

BDBM506830

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)c(C)c1)c1ccnn1C1CC1 |r|

BDBM506831

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1ccnn1C1CC1 |r|

BDBM506832

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C1CC1 |r|

BDBM506833

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C1CCC1 |r|

BDBM506834

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C1CCOCC1 |r|

BDBM506835

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C1CCN(C)CC1 |r|

BDBM506836

COCC(COC)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC |r|

BDBM506837

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1-c1ccccc1 |r|

BDBM506839

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1cc(C)n(C)n1 |r|

BDBM506840

CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccn(n1)C(C)C |r|

BDBM506841

CC(C)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OCCCO |r|

BDBM506842

CCCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C |r|

BDBM506843

CC(C)CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C |r|

BDBM506844

CC(C)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OCCCF |r|

BDBM506845

CC(C)n1nccc1[C@H](CCC(=O)NO)Cc1ccc(Cl)cc1 |r|