chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4248102 | [Br].[N][=C][Branch1][C][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4248103 | [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][N][Ring1][O][O][C][=C][Ring2][Ring1][C][C][#N] |
CHEMBL4248105 | [C][C][=C][Branch2][Ring1][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4248108 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch2][=Branch1][Ring2][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring2][Ring1][C][O][Ring2][Ring2][#C] |
CHEMBL4248369 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4248372 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4248374 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=C][Branch1][=N][N][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][C][Ring1][#C][=O][=C][Ring2][Ring1][#Branch1] |
CHEMBL4248376 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4248377 | [C][/C][=C][/C][=C][/C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4248641 | [O][=C][NH1][C][=N][C][=C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][Ring1][O] |
CHEMBL4248652 | [O][=C][Branch1][Ring1][C][Cl][N][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][=N] |
CHEMBL4248654 | [C][C][S][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][=Ring1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4248655 | [C][C][=C][C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#C] |
CHEMBL4248660 | [O][=N+1][Branch1][C][O-1][O][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][C][=C][Ring1][P][Cl][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4248911 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=C][Branch1][S][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][N][=N][Ring1][=C][O][N][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL4248913 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][P][O][C][=N][C][=N][C][=C][Branch1][#C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][N][=C][N][=C][Ring2][Ring1][Ring2][Ring1][S][C][C][Ring2][Ring1][O] |
CHEMBL4248914 | [C][N+1][=C][C][=Branch1][#C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][/C][=Branch1][=N][=C][\C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1].[I-1] |
CHEMBL4248915 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4249195 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][O][=C][C][=C][Ring1][#C][Ring2][Ring1][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][O][O] |
CHEMBL4249196 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4249199 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4249202 | [O][=C][Branch2][Ring2][#Branch2][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring2][Ring1][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4249204 | [C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][=C][C][C][=C][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][Branch2][C][C][Branch1][Ring1][C][=O][=C][Ring2][Ring1][=N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4249205 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL4249206 | [C][O][P][=Branch1][C][=O][Branch1][#Branch2][C][C][C][C][C][C][N][=C][=S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4249443 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][C][C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Ring1][O][Ring1][=C] |
CHEMBL4249444 | [N][C][=Branch1][C][=O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1] |
CHEMBL4249449 | [C][C][C][O][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4249453 | [C][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][B][Branch1][C][O][O] |
CHEMBL4249474 | [C][C][Branch1][C][C][C][C@@H1][Branch2][Ring2][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4249477 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=N][N][Branch2][Ring2][C][C][C][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][#C][Ring1][#Branch1][C][=C][Ring2][Ring2][Branch1][O][C] |
CHEMBL4249482 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][C][N][C][Branch1][C][C][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL4249753 | [C][C][=N][N][Branch1][C][C][C][=C][C][=C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][Ring1][S] |
CHEMBL4249754 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4249758 | [C][C][O][C][C][C][C][N][Branch2][Ring1][=C][C][=C][C][Branch1][C][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=N][Ring1][P][C][Ring2][Ring1][#Branch1] |
CHEMBL4249767 | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4249769 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4250006 | [O][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][Ring1][S][Ring1][=Branch1] |
CHEMBL4250007 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4250009 | [C][C][C][C][N][C][C][N][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4250011 | [C][C@@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4250014 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4250020 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL4250280 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Ring1][S][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][O] |
CHEMBL4250281 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4250287 | [C][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][N][Branch1][Branch2][/C][=C][/C][Branch1][C][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4250292 | [C][C][C][C][N][Branch2][Ring2][Ring2][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][C][C][C][Ring2][Ring1][N] |
CHEMBL4250570 | [C][C][=C][C][=C][NH1][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CHEMBL4250573 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][Branch2][C][C][C@@H1][C@@][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][=Branch1][C][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][#C][C][C@@H1][Ring2][Ring2][#Branch2][Ring2][Ring2][#Branch1] |
CHEMBL4250574 | [C][C][=C][C][Branch2][Ring2][#C][S][C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring1][S][=C][C][=C][Ring2][Ring1][P][O][C][C][=Branch1][C][=O][O] |
CHEMBL4250576 | [N][#C][C][=C][C][=C][Branch2][Branch1][Ring1][N][C][C][C][N][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][O][N][=C][Ring2][Ring2][C] |
CHEMBL4250582 | [C][Si][Branch1][C][O][Branch1][C][O][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4250588 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N] |
CHEMBL4250591 | [C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Branch1][C][C][C][Ring2][Ring1][=C][=Ring2][Ring1][=Branch1] |
CHEMBL4250924 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][=Branch2][=N][/N][=C][\C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4250928 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@H1][C][=C][Branch1][C][F][C@@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O-1][O][C][Ring1][N].[Na+1] |
CHEMBL4250937 | [C][C][Branch1][C][C][C][C][C][=C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][C][C][O][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4250940 | [C][N+1][C][C][C][C@][C][C][C@@][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Ring1][=Branch2][Branch1][=Branch1][C][C][Ring2][Ring1][C][C@H1][Ring1][#C][Ring2][Ring1][Ring1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Ring2][Ring1][Ring2] |
CHEMBL4251240 | [C][O][C][C][N][C][=C][Branch2][Ring2][=Branch2][C][=N][N][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][Ring1][N][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][=Branch1][Ring1][#Branch1][C][=N][Ring2][Ring1][O] |
CHEMBL4251242 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1] |
CHEMBL4251246 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][O] |
CHEMBL4251248 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][C][=Ring1][#C][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4251469 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][C][C][=N][C][=C][C][Branch1][O][C][=N][NH1][C][=Branch1][C][=S][O][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][#C] |
CHEMBL4251473 | [C][C][C][N][C@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring2][Ring1][Ring1] |
CHEMBL4251476 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring1][=Branch2][=N][C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][O][Ring2][Ring1][=C] |
CHEMBL4251478 | [N][C@@H1][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O] |
CHEMBL4251479 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4251480 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277398 | [C][C][Branch1][C][F][Branch1][C][F][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][=C][C][=N][Ring2][Ring1][#C] |
CHEMBL4277399 | [N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=N][Ring2][Ring1][N] |
CHEMBL4277400 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=N][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][Branch2][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][Ring2][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch2][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O] |
CHEMBL4277401 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][#C][C][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] |
CHEMBL4277483 | [O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch2][Ring1][Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4277484 | [C][C][C][N][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][S][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C][=O] |
CHEMBL4277485 | [O][=P][Branch1][C][O-1][Branch1][C][O-1][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O-1][O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C][=C][Ring1][#C].[Li+1].[Li+1].[Li+1].[Li+1].[Li+1].[Li+1] |
CHEMBL4277486 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4277572 | [C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Branch1][C][=O][NH1][Ring1][=Branch2][C][=C][Ring1][S][=C][C][=C][Ring2][Ring1][=Branch1][F] |
CHEMBL4277573 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C][C@][Branch1][Branch1][C][O][Ring1][Ring1][C@@H1][Ring2][Ring1][Ring1][C][C@H1][Ring2][Ring1][O][Ring2][Ring1][#Branch1] |
CHEMBL4277574 | [C][C][=C][C][=C][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][C][=Branch1][C][=Se][N][C][=C][C][=C][Branch2][Ring2][Ring2][Se][Se][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=Se][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][=C][Ring2][Ring2][#Branch1] |
CHEMBL4277575 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4277576 | [C][O][C][=C][C][Branch2][Branch1][=Branch1][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][C][C@@H1][Branch2][Ring2][Ring1][N][Branch1][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][Ring2][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2][O][C] |
CHEMBL4277577 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4277662 | [N][N][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4277663 | [O][C][Branch1][P][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4277664 | [O][=C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL4277665 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][N][Branch1][Ring2][C][C][#N][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4277666 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL4277740 | [C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C@@][O][C@@][Ring1][Ring1][Branch1][C][C][C][C][C][C@][Ring1][Branch2][Branch1][C][C][C][C@@H1][Ring1][=N][O][C][Branch1][C][C][=O] |
CHEMBL4277741 | [C][O][C][=C][C][Branch2][Ring1][Branch2][S][C][=C][NH1][C][=C][C][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][=C][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4277742 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Ring2][C][C][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][C@@][Ring1][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][S][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4277743 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][N][=C][C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][Ring1][#C][=Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL4277744 | [C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C][C][Branch1][C][C][=O] |
CHEMBL4276680 | [C][C][Branch1][C][C][Branch1][C][C][C][N][C][=N][C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4276681 | [C][C][=C][C][=C][C][Branch2][Ring2][#Branch2][N][C][C][N][Branch2][Ring1][=C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][O][C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N][C] |
CHEMBL4276682 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring2][C][C][=Branch1][C][=S][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch1][C][C][Ring1][Ring1] |
CHEMBL4276683 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][C][=C][C][=Branch1][S][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][N][Ring1][N][C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@H1][Branch1][Branch1][C][Ring2][Ring2][Branch1][N][Branch1][C][C][C][C][Ring1][Branch2] |
CHEMBL4276684 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][Ring1][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4276685 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=N][Ring1][=N][C][=C][Ring2][Ring2][C] |
CHEMBL4276686 | [C][C][=C][N][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][Cl][=N][Ring1][O][S][Ring2][Ring1][Ring1] |
CHEMBL4276755 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][N][/N][=C][Branch1][C][/Br][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
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