chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL4553571 | [C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring1][#Branch2][C][=N][N][Ring1][P][C][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2] |
CHEMBL4553572 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][O][N][=C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1] |
CHEMBL4553573 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=N][C][Branch1][O][N][C][C][C][C][C][C][Ring1][=Branch1][N][=C][C][=C][Ring1][=C][C][Branch1][C][N][=O][=C][Ring2][Ring1][Branch2] |
CHEMBL9304 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][N][C@@H1][Ring1][#Branch1][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][O] |
CHEMBL9387 | [C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C@@H1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][C][=O][=C][Ring2][Ring1][=N] |
CHEMBL1163268 | [C][C@][Branch1][C][O][C][C@][C][C][C@@H1][C@@][Branch1][C][C][Branch1][N][C@H1][Ring1][#Branch1][C][=C][C@@H1][Ring1][=N][C][Ring1][O][C@H1][Branch1][C][O][C][C][C@@][Ring1][=N][Branch1][C][C][C][=Branch1][C][=O][O] |
CHEMBL9523 | [C][C][C][C][C][/C][=C][/C][/C][=C][/C][/C][=C][/C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL9582 | [C][N][Branch2][Branch1][Ring1][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][N][N][N][C][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch2][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4553574 | [C][C][Branch1][C][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][/C][=Branch1][#C][=N][/C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring1][P] |
CHEMBL4553575 | [C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][Ring1][=C][C][=N][N][Ring2][Ring1][Branch1][C][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2] |
CHEMBL4553576 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4553577 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=N][#C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][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][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CHEMBL9583 | [C][=C][C][Branch1][#Branch2][S][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][N][C][=N][C][C][N][Ring1][Branch1] |
CHEMBL9584 | [C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL9585 | [C][O][C][=C][C][=N][C][Branch2][Ring2][C][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][=C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][C][=C][Ring1][=N][NH1][Ring1][S][=C][Ring2][Ring1][=Branch2][C] |
CHEMBL9261 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL9342 | [C][=C][C][N][C][=Branch1][C][=O][C][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL9343 | [C][O][C][=C][C][Branch2][Ring1][#C][C][=C][S][C][Branch2][Ring1][Ring2][N][N][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][=C][Ring1][N][C][=N][Ring2][Ring1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL9344 | [O][C][C][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Branch1][C][O][C][Ring1][P][O] |
CHEMBL9363 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL9365 | [C][/C][=C][\O][C@@H1][C][C][=Branch1][C][=O][N][Ring1][Branch1][C@H1][Ring1][Branch2][C][=Branch1][C][=O][O-1].[Na+1] |
CHEMBL9367 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL9368 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL9388 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][S] |
CHEMBL9389 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][/C][=C][/I] |
CHEMBL1163295 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][=Branch2][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O] |
CHEMBL9476 | [C][C][C][Branch1][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C@@H1][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P][C][=Branch1][C][=O][O] |
CHEMBL1163271 | [O][=C][S][/C][=Branch1][S][=C][\C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][P][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL9533 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C][N][Branch1][C][C][O] |
CHEMBL9592 | [C][C][=C][N][Branch2][Ring2][#Branch1][C][C][C][Branch1][C][O][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][F][=C][Ring1][#Branch2][O][Ring2][Ring1][Ring2][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][O][=O] |
CHEMBL9593 | [C][C][C][C][C][C][N][Branch1][C][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
CHEMBL9594 | [C][C][C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][C][C][C][C][C][Ring1][O][=N][Ring1][S] |
CHEMBL9595 | [C][C][=C][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][=Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2] |
CHEMBL9345 | [F][C][Branch1][C][F][Branch1][C][F][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL9347 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][O][C][C][N][C][C][C][Branch1][P][N][N][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Ring1][S] |
CHEMBL9429 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL9430 | [C][O][C][=C][N][=C][Branch2][Ring1][O][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL9432 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][P][C][S][C][C][N][C][=N][S+1][Branch1][C][O-1][N][=C][Ring1][=Branch1][N][NH1][Ring1][P] |
CHEMBL9455 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][C][C][N][C][C][C][Branch2][Ring1][N][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][S] |
CHEMBL9456 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][#C][N][/C][Branch1][C][S][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S] |
CHEMBL9457 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][/N][=C][Branch1][C][/S][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL9477 | [C][C][N][C@H1][Branch1][N][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1][Ring1][S] |
CHEMBL9478 | [C][C][C][C][C][C][Branch2][Ring1][S][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][C][C][C][Ring2][Ring1][O][=O] |
CHEMBL9479 | [C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][C][=C][Ring1][O][C][C][C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring1][P] |
CHEMBL9214 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL9587 | [C][C][N][Branch1][Ring1][C][C][C][=C][Branch2][Ring1][S][N][C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][=C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL9588 | [C][O][C][=C][C][=C][Branch2][Ring2][O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL9589 | [C][C][N][Branch2][Ring1][=C][C][=N][C][Branch1][C][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][C][Branch1][C][C][C][=N][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br] |
CHEMBL4553657 | [C][C][Branch1][S][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][F][N][C][=N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][Ring1][#C] |
CHEMBL4553658 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][O][=N][Ring2][Ring1][S] |
CHEMBL3309457 | [O][=C][C][S][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O] |
CHEMBL9433 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#C][O][P][=Branch1][C][=O][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=C][Ring2][Ring1][P].[Cl] |
CHEMBL9434 | [C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL9166 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][C][N][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] |
CHEMBL9167 | [O][=C][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=Ring1][O][C][Branch1][C][O][=C][Ring1][S][Ring2][Ring1][O] |
CHEMBL9168 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C@@H1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][Ring1][P][C][/C][=C][/C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=C] |
CHEMBL9169 | [C][C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][N][C][Ring1][S][=O] |
CHEMBL472 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL9191 | [C][C@@][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Ring1][=N][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch1][=O] |
CHEMBL9192 | [C][C@@][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][Ring1][O][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][Ring1][=O] |
CHEMBL9194 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][N][C][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL3301648 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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][Branch2][=C][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][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][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch1][C][C][S][C][N][C][Ring2][Ring1][=C][=O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O] |
CHEMBL9217 | [O][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][=C][Branch1][#Branch2][C][C][C][C][C][C@@H1][Ring1][=Branch1][O][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][#Branch2][Ring1][#C] |
CHEMBL9219 | [N][C][=Branch1][C][=O][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL9306 | [O][=C][Branch1][C][O-1][C@H1][/C][=Branch1][Ring2][=C][/C][O][O][C@@H1][C][C][=Branch1][C][=O][N][Ring1][Branch1][Ring1][O].[Li+1] |
CHEMBL9308 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL9591 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][C][N][C][C][C][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL9531 | [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][O] |
CHEMBL9532 | [C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][S] |
CHEMBL3309459 | [O][=C][C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O] |
CHEMBL9170 | [C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][Ring1][N][C][N][C][Ring1][P][=O] |
CHEMBL4303151 | [O][=C][C][=Branch1][#Branch2][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
CHEMBL9262 | [C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][O][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][=Branch1][O][Ring1][N] |
CHEMBL9263 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][N][O][P][=Branch1][C][=O][Branch2][Ring1][C][O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][=C][Ring2][Ring1][S].[Cl] |
CHEMBL9266 | [C][C][C][/C][=C][/C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL3309543 | [C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL9195 | [C][O][C][=C][C][=C][C][Branch2][Ring2][S][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][Ring2][Ring2][C] |
CHEMBL9287 | [C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][=C] |
CHEMBL9288 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] |
CHEMBL3309312 | [C][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][N][C][C][N][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][O][C][C][Ring2][Ring2][P] |
CHEMBL9309 | [C][O][C][=C][C][=C][Branch1][C][N][C][Branch2][Ring1][=Branch2][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][Ring2][Ring1][Branch1] |
CHEMBL9311 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4553708 | [O][C][C][N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][C][=N][NH1][C][Ring1][Branch1][=N][Ring1][P] |
CHEMBL4553709 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][C][N][C][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][C][C@H1][O][C][C][C][C@@][Ring1][=Branch1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=C][C][Ring2][Ring1][N][=C][Ring2][Ring1][S] |
CHEMBL4553710 | [O][=C][Branch1][P][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][C][=Branch1][C][=O][C][Branch1][C][Cl][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4553711 | [C][C][=C][C][Branch2][Ring2][Ring1][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][C][Cl][=N][Ring2][Ring1][=C] |
CHEMBL9390 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1] |
CHEMBL9391 | [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O] |
CHEMBL9586 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch1][C][Ring2][Ring1][Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][C][Ring2][Ring1][=N][Ring1][N][Ring2][Ring1][#Branch2] |
CHEMBL9524 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=N] |
CHEMBL9526 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][P][=Branch1][C][=O][Branch2][Ring1][=C][O][C][C][O][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C][Ring1][=C][N][=N+1][=N-1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL9528 | [N][C][=N][C][Branch1][C][N][=C][N][=C][N][Branch2][Ring1][Ring1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][#Branch2][C][Ring1][#C][=N][Ring2][Ring1][Ring2] |
CHEMBL1163270 | [C][C@H1][Branch1][C][O][C@H1][O][C@H1][Branch2][Ring2][=C][O][C@@H1][C@@H1][Branch1][C][N][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][N][C@H1][Branch1][C][O][C@H1][Ring1][S][O][C@@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][Ring1][O] |
CHEMBL479 | [C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][N][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2] |
CHEMBL1163266 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch1][S][C][C][O][=C][Branch1][Branch1][S][C][C][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] |
CHEMBL9348 | [C][C][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C@@H1][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P][C][=Branch1][C][=O][O] |
CHEMBL9349 | [O][=C][Branch2][Ring2][P][N][C][=C][C][=C][Branch2][Ring2][Ring2][C][C@H1][Branch2][Ring1][#Branch2][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl] |
CHEMBL9289 | [C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][S][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][NH1][C][=Ring2][Ring1][=N][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][Branch1][=O] |
CHEMBL4559935 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=C][N][=C][Branch1][C][C][O][C][Ring1][=Branch1][=O][C][=C][Ring1][=C] |
CHEMBL4559936 | [O][=C][Branch2][Branch1][C][N][C][=C][C][Branch2][Ring2][Branch1][C][=C][N][Branch2][Ring1][#Branch2][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][N][=N][Ring2][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.