chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4250095 | [C][=C][O][C][Branch2][Ring1][#Branch1][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1] |
CHEMBL4250098 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][NH1][C][=C][Ring1][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4250100 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4250104 | [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][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][Ring1][#Branch2][O][Ring1][=N] |
CHEMBL4250113 | [O][=C][Branch1][=Branch1][N][C][C][C][Br][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4250114 | [C][C][=C][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1][=Ring1][#Branch1] |
CHEMBL4250348 | [C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][N][C][C][C][Ring1][Ring1] |
CHEMBL4250352 | [C][O][C][=C][C][=C][C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][=C][Ring1][P][O][C] |
CHEMBL4250360 | [C][O][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][=C][Ring1][=N][C][=C][Ring1][P][O][C][C][C][Cl] |
CHEMBL4250365 | [C][O][C][=C][C][=C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][P][N][C][Branch1][C][C][=O] |
CHEMBL4250366 | [C][C][=C][C][=C][Branch2][Branch1][S][C@H1][Branch2][Ring2][=Branch2][C][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring1][#Branch1][N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][N][=C][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][S][Ring2][Ring2][#Branch1] |
CHEMBL4250649 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][=C][Branch2][Ring1][#C][C][N][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=N][Ring1][S][O][N][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4250651 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][N][=C][O][Ring1][Branch1][=N][C][Branch1][O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] |
CHEMBL4250657 | [C][C@@H1][O][C@@H1][Branch2][=Branch2][=Branch2][O][C@H1][C@H1][Branch2][#Branch1][Ring2][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][S][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=N][Ring1][N][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Ring2][Ring2][O][Branch1][C][C][C][O][C][C@H1][Branch2][Ring1][Branch1][O][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@@H1][Ring2][Branch1][S][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][#Branch2][O] |
CHEMBL4250664 | [C][O][C@H1][C][C@H1][Branch2][Ring2][S][O][C][=C][C][=C][Branch2][Ring2][C][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][C][F][=C][Branch1][#Branch2][O][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][#C][=C][Ring2][Ring1][Branch1][O][C][O][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=N] |
CHEMBL4250665 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O] |
CHEMBL4250974 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][O][=C][Ring2][Ring1][Branch1] |
CHEMBL4250979 | [N][#C][C][=N][C][Branch1][#C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4250980 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Ring1][=Branch1][=O] |
CHEMBL4250982 | [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][Branch2][Ring1][C][C][C][C][C][N][C][C][N][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4250984 | [C][C][Branch1][C][C][C][C][N][C][C][Si][Branch1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][#C] |
CHEMBL4250992 | [C][=C][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][P][C][=Branch1][C][=O][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch2][C][C@@H1][Branch1][C][O][C@@H1][C@@H1][Branch2][Ring1][C][C@@][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#C][Branch1][C][C][C] |
CHEMBL4251286 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Ring1][P][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4251289 | [C][O][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4251290 | [C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4251292 | [C][C][Branch1][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277336 | [O][=C][Branch1][C][O][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL4277337 | [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] |
CHEMBL4277338 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=C][C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=N][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4277339 | [C][C][=C][C][N][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][O][C][O][Ring1][#Branch2][NH1][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][C] |
CHEMBL4277340 | [C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C@@H1][O][C@H1][Branch2][Ring1][#C][C][O][C][=Branch1][C][=O][/C][=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][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][#Branch2][O][C][Ring2][Ring1][S][=O] |
CHEMBL4277422 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][Branch1][#Branch2][\N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277423 | [O][=C][C][=C][Branch2][Ring1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][C][O] |
CHEMBL4277424 | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch2][N][C][C][=Branch1][C][=O][O][C][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] |
CHEMBL4277425 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Branch1][C][C][=C][Ring1][S][O][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4277426 | [O][/N][=C][Branch2][Ring1][Branch1][\C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][C][=C][C][=C][Branch2][Ring1][O][C][/C][=Branch1][Ring1][=N][\O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][NH1][Ring2][Ring1][Branch1] |
CHEMBL4277508 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4277509 | [C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][O][C][C][C@@H1][Ring2][Ring1][Branch1][Ring1][S] |
CHEMBL4277510 | [C][C@H1][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][O][C][N][C][=N][C][=C][C][Ring1][=Branch1][=O][C][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277511 | [C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][N][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring2][Ring2][=N][O][C][Branch1][C][C][=O] |
CHEMBL4277512 | [C][O][C][=C][C][Branch2][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][O][C][C][C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][O][Ring2][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring2][O][C] |
CHEMBL4277513 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][O][C][=Branch1][C][=O][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C@H1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4277514 | [C][O][C][=C][C][Branch2][Branch1][=Branch1][/C][=C][/C][=Branch1][C][=O][C][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][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][=Ring2][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C] |
CHEMBL4277515 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][C] |
CHEMBL4277593 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=C][S][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4277594 | [O][=C][O][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][S][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][Ring2][Ring1][#C] |
CHEMBL4277595 | [C][O][C][C][N][/C][=Branch2][Ring1][C][=C][/N][=C][Branch1][C][C][N][Branch1][Branch1][C][C][O][C][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4277596 | [N][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F][S][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch1][O] |
CHEMBL4277597 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][P][Ring1][#Branch1] |
CHEMBL4277598 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][=C][Ring1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4277599 | [C][C][=C][C][=C][Branch2][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][#C][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][C][C@@H1][O][C@][Branch1][O][C][C][C@H1][Branch1][C][C][C][O][Ring1][#Branch1][C@@H1][Branch1][C][C][C@@H1][Ring1][N][Ring1][S][C@@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N][C][C][Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][#C] |
CHEMBL4277682 | [O][=C][C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][N] |
CHEMBL4277683 | [C][N][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][O][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4277684 | [C][#C][C][=C][N][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@][Branch1][C][O][Branch1][Ring1][C][#C][C@H1][Ring1][#Branch2][O][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch1] |
CHEMBL4277685 | [C][=C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][Ring2][C][C][=C][=C][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][C][C][Cl][=C][Ring2][Ring1][#Branch1] |
CHEMBL4277686 | [C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][N][C][=C][C][=C][Ring1][Branch1][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring1][#C] |
CHEMBL4277687 | [C][=C][C][C@][C][C@@][Ring1][Branch1][Branch1][C][O][C][C][C@H1][Ring1][#Branch1][C@@][C][=C][C@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][#Branch2][C@H1][Ring1][O][C@@H1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL4277761 | [C][C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][O][=C][C][=C][Ring1][=N][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][Ring1][=N] |
CHEMBL4277762 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][N][/N][=C][/C][=C][C][=C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4277763 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4276700 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][N][C][=N][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring1][=C][C][=C][Ring2][Ring1][S] |
CHEMBL4276701 | [N][#C][C][=C][C][Branch2][Ring2][#C][N][C][=N][C][Branch1][=C][N][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][#Branch1][=C][C][=N][Ring2][Ring1][=C] |
CHEMBL4276702 | [O][=C][Branch2][Ring1][=C][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Ring1][N] |
CHEMBL4276703 | [C][C][C][C][N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] |
CHEMBL4276773 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][S][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][N][C@H1][Ring2][Ring1][#Branch1][N][C][Branch1][C][C][=O] |
CHEMBL4276774 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][=N][N][=C][Branch1][P][C][O][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][P][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4276775 | [C][C][=C][C][Branch2][=Branch1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C][C][Branch2][Ring2][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][C][#C][C][C][C][Ring1][Ring1][C][Branch1][C][Cl][=C][Ring1][N][Cl][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][N][=N][C][=N][Ring2][Ring2][O] |
CHEMBL4276776 | [C][O][C][=C][C][Branch2][Ring2][P][/C][=C][/C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch2].[I-1] |
CHEMBL4276777 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch2][#Branch2][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Branch2][=Branch1][C][N][Branch2][Ring2][P][C][C][=C][N][Branch2][Ring2][Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][#C][C][C][=C][N][Branch2][Ring2][Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][#C][N][=N][Ring2][=Branch1][#Branch1][=C][C][=C][Ring2][#Branch1][S][Ring2][#Branch1][=Branch1] |
CHEMBL4276778 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S] |
CHEMBL4276866 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][O] |
CHEMBL4276867 | [C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][/C][=N][/O][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][S][S][C][C][N][C][=Branch1][C][=O][/C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][\O] |
CHEMBL4276868 | [N][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][=N][N][Ring1][#C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2] |
CHEMBL4276869 | [C][O][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C][=Branch1][C][=O][/C][=C][/C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C@H1][Ring2][Ring1][#Branch1][C][Branch1][C][C][C] |
CHEMBL4276870 | [C][=C][C][=Branch1][C][=O][C@@][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch2][C@H1][Ring1][#Branch1][O][C@][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Ring2][Ring1][C][O][C@@H1][Ring1][N][O][C][C][C][N][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][S][/C][=Branch1][S][=C][\C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][#C][=O][N][=N][Ring2][Ring1][=Branch1] |
CHEMBL4276871 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4276948 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4276949 | [C][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][N][Branch1][O][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4276950 | [C][O][C][=C][C][Branch2][Ring1][N][/C][=C][\C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O] |
CHEMBL4276951 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][S][C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4276952 | [C][C@H1][Branch2][Branch1][S][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][#C][C][C][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch1][O][Ring2][Ring1][O][C][C][Ring2][Ring1][S][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4277032 | [C][C@@H1][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][=Branch2][=N][Ring2][Ring1][Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4277033 | [C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][O][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Ring1][=C] |
CHEMBL4277034 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring1][=C][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL4277035 | [C][C][C@H1][Branch1][C][C][C@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Ring2][=C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][Ring1][C][Cl][/C][=C][\C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][Ring2][Ring2][P] |
CHEMBL4277036 | [C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][N][O][C][=N][C][=C][Ring2][Ring1][Branch1][Cl] |
CHEMBL4277115 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4277116 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Ring2][C][=N][C][=C][Branch2][Ring2][C][N][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][N][C][C][Ring2][Ring1][Ring1][C][=C][C][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL4277117 | [C][C@@H1][Branch2][Branch1][Ring1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=N][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][O][=N][C][Branch1][S][C][=C][N][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4277118 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring2][Ring1][O][Ring1][O][C] |
CHEMBL4277200 | [C][=C][N][=C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][=Branch2] |
CHEMBL4277201 | [C][O][C][=C][C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][=C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL4277202 | [C][=C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][N][C][=C][C][Branch1][Ring2][C][C][=C][=C][C][=C][Ring1][=Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][S][O][=C][Ring2][Ring2][C] |
CHEMBL4277203 | [C][C][N][C][=Branch1][C][=N][N][C][C][C][C][C@H1][Branch2][Branch1][#Branch2][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][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4277204 | [C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4277205 | [O][=C][N][C][=Branch1][C][=O][/C][=Branch2][Ring2][Ring2][=C][/C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][Ring2][Ring1][=N] |
CHEMBL4277295 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C] |
CHEMBL4277296 | [O][=C][Branch2][Ring1][Ring2][N][/N][=C][/C][C][=C][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][C][=Ring1][#Branch2][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring1][P] |
CHEMBL4277297 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4277298 | [C][C][C][/N][=C][\S][/C][=Branch2][Ring1][O][=C][\C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.