chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL10770 | [O][=C][O][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL10771 | [C][C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL10772 | [O][=C][Branch1][C][O][C][C][C][/C][=C][/C][C@H1][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][Ring1][N] |
CHEMBL10854 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O... |
CHEMBL10792 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][C][#C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][R... |
CHEMBL10793 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=Branch2][C][=N][S][N][=C][Ring1][Branch1][Cl][C][C][Ring1][N] |
CHEMBL10794 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL10869 | [C][S][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL10809 | [C][O][C][C][#C][C][C][Branch2][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][O] |
CHEMBL10810 | [C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] |
CHEMBL10811 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][C][Br... |
CHEMBL10890 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10582 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL10583 | [C][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N] |
CHEMBL10584 | [C][C][Branch1][C][C][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N] |
CHEMBL10585 | [C][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][C][C@H1][Branch1][Branch1][C][C][Ring1][=C][N][Ring1][#Branch1] |
CHEMBL10586 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] |
CHEMBL10587 | [C][C][C][C][C][C][C][C][C][C][C][/C][=C][Branch1][C][C][/C][=C][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O] |
CHEMBL10855 | [C][C][=Branch1][C][=O][N][C][C][C][=Branch2][Ring1][N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring1][P][C][C][Ring2][Ring1][#Branch1] |
CHEMBL10857 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1] |
CHEMBL10606 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][N][=O] |
CHEMBL10607 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL10870 | [C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][Ring1][C][O][=C][Ring1][#Branch2][Ring1][=C] |
CHEMBL10871 | [C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N] |
CHEMBL10872 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][=N][C][N][C][C][C@@][Branch1][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C@@H1][Branch1][C][C][C][Ring1][#C][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2] |
CHEMBL10873 | [C][=C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][N][Branch1][C][C][C][Ring1][P][=O] |
CHEMBL10630 | [C][O][C][=C][Branch1][C][Cl][C][Branch1][C][O][=C][Branch1][Ring1][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][N][Cl] |
CHEMBL10891 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL10892 | [C][C][/C][=Branch2][Ring1][N][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10893 | [O][=C][Branch1][S][/C][=C][/C][Branch1][C][Br][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][N][C][Ring1][=Branch1][=O] |
CHEMBL10646 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][N][C][C][#C][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL10647 | [N][C][C][Branch1][C][F][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10669 | [C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][=N][O][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][C][O] |
CHEMBL10670 | [C][C][Branch1][O][C][N][Branch1][Ring2][C][C][O][C][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10671 | [C][S][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL10672 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][S][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL10609 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=O] |
CHEMBL10610 | [O][=C][O][C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1] |
CHEMBL10611 | [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][Branch1][Ring2][C][C][#N][=C][C][Ring1][=Branch2][=C][Ring1][=N][C] |
CHEMBL10612 | [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][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][=Branch1][C][=O][C][N][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][=C][Ring1][=Branch2][S][C][C][=... |
CHEMBL10686 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] |
CHEMBL3310065 | [N][C@@H1][Branch2][Ring1][S][C][C][=C][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][NH1][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch... |
CHEMBL10631 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL10632 | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL10633 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][S][Ring2][Ring1][C] |
CHEMBL10634 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][O][Ring2][Ring1][C] |
CHEMBL1163329 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Branch1][Ring2][C][C][O][C][=C][C][=C][C][Ring2][Ring1][C][=C][Ring1][N][Ring1][=Branch1] |
CHEMBL10704 | [Br][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL10648 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][=N][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=N] |
CHEMBL10649 | [C][C][Branch1][C][C][C@H1][O][C][=Branch1][C][=O][O][C@][Ring1][=Branch1][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL10650 | [N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O] |
CHEMBL10651 | [C][C][C][N][Branch2][Ring1][#Branch1][C][C][N][C][C][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL10728 | [C][C][C][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL10729 | [N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C][C][=Branch1][C][=O][O] |
CHEMBL10748 | [O][=C][Branch1][C][O][C][O][C][/C][=C][\C][C@H1][C@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][S][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][Ring1][N] |
CHEMBL10750 | [O][=C][Branch1][C][O][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10752 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][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@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1... |
CHEMBL10753 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O] |
CHEMBL10754 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][Ring1][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL10755 | [C][C][Branch1][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL10687 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][N][C][O][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][O-1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][O][Ring2][Ring1][S].[Li+1... |
CHEMBL10688 | [C][N][C][C][N][Branch1][#C][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S] |
CHEMBL1163332 | [C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL10689 | [O][=C][C][C][N][Ring1][Ring2][C][O] |
CHEMBL10690 | [O][=C][Branch2][Ring2][#Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL10773 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][=C] |
CHEMBL10705 | [C][O][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL10707 | [C][C][C][C][C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][C][Ring2][Ring1][C][Ring1][O] |
CHEMBL10708 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][C@H1][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][=C... |
CHEMBL10795 | [C][C][Branch1][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL10731 | [C][N+1][Branch1][C][C][C][C][O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] |
CHEMBL10732 | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][S][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][Branch1][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring2][Ring1][C][Ring2]... |
CHEMBL10812 | [C][S][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][O][C][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li... |
CHEMBL10833 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][O][Ring1][P] |
CHEMBL10834 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C] |
CHEMBL10835 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL10836 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] |
CHEMBL10837 | [C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][C@H1][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][O][C][=C][Ring1][S][=C][Ring2][Ring1][=Branch1] |
CHEMBL10775 | [C][O][C][=C][C][Branch2][Ring2][Ring1][C@@H1][C][NH1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Ring1][=N][C][C@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring2][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N][O] |
CHEMBL10776 | [C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL10777 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL3310067 | [C][O][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][Ring1][Branch2][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][S][C][C][=C][N][=C][Branch1][=Branch1][C][Br... |
CHEMBL10796 | [C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][N][Branch2][Ring1][=C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL10797 | [O][C][C][C][C][C][N][Branch1][S][C][C][C][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][C][Ring1][P] |
CHEMBL10798 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] |
CHEMBL10800 | [C][C][C][C@@H1][C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][N][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL10814 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][N][C][=N][C][Branch1][Ring1][C][O][=C][NH1][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL10815 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][C][Ring1][=C][=O] |
CHEMBL10816 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][O][C][O][Ring1][#Branch1] |
CHEMBL10894 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] |
CHEMBL10895 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][NH1][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL11158 | [C][S][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][=N][=C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2] |
CHEMBL11159 | [C][C][=Branch1][C][=O][N][C][C][C][=Branch2][Ring1][N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][Ring1][P][C][C][Ring2][Ring1][#Branch1] |
CHEMBL11160 | [O][=C][Branch1][C][O][C@H1][C][S][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][Ring1][=N] |
CHEMBL11161 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][#C].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL3310135 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][O][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL11092 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][=N][C][Branch1][C][Br][=C][NH1][Ring1][=Branch1][C][=C][Ring1][N][Cl][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL11093 | [C][C][O][C][C][=C][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][C][Branch1][C][O][C][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=N] |
CHEMBL11094 | [C][O][C][=C][C][Branch1][#C][C][C][Branch1][C][C][N][Branch1][C][C][C][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][I] |
CHEMBL11095 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2] |
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