chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4291299 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch2][Branch1][C][C][N][C][=C][Branch2][Ring2][=Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][Ring2][Ring1][Ring1][O][C][N][=N][Ring2][Ring1][N][C][C][Ring2][Ring2][Ring1] |
CHEMBL4291300 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch1][Ring2][O][C][C][N][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][N][Branch2][Ring1][#C][C][C][O][C][=C][C][=C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C][N][=N][Ring2][Ring2][Ring2][=C][C][=C][Ring2][Branch1][#Branch1][Ring2][Ring2][=N] |
CHEMBL4291375 | [C][O][C][=C][C][Branch2][Ring1][Branch2][/C][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Ring2][/C][=N][/O][=C][N][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4291376 | [O][=C][Branch1][C][O][C][C][N][C][=Branch1][C][=S][N][C][C][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] |
CHEMBL4291377 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C] |
CHEMBL4291378 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291379 | [C][C][C][C][C][C][C][C][C][C][C][O][C@H1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@@H1][Branch2][Ring1][P][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][=N][O][C][C][C][C][C][C][C][C][C][C][C][C@H1][Ring2][Ring1][Branch1][N][C@@H1][Ring2][Ring1][#C][O] |
CHEMBL4291459 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][C][=N][N][=C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][O][Ring2][Ring1][Ring2] |
CHEMBL4291460 | [C][O][C][=N][C][Branch1][#C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][C][C][=N][C][Branch2][Ring1][#C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=C][Ring1][P][O][C][=N][Ring2][Ring2][C] |
CHEMBL4291461 | [C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4291462 | [C][S][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4291463 | [C][O][C][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][/C][=C][\N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][S][Ring1][#C][C][=C][Ring2][Ring1][Branch1][C][=C][Branch1][C][Br][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring2][O][C] |
CHEMBL4291464 | [C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][Branch1][#C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1] |
CHEMBL4291465 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch1][=Branch2][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][=C][C][=C][Ring2][Branch1][S][Ring2][Branch1][=Branch1] |
CHEMBL4291543 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][/C][=N][/N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL4291544 | [C][O][C][C][N][C][C][N][Branch2][Branch1][N][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][O][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][N][=C][\C][=C][C][=C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][S][C][Ring2][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][=C][C][C][Ring2][Ring2][=Branch2] |
CHEMBL4291545 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][S][C][=Branch1][C][=S][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4291546 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][S][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][Ring1][#C][N][=N][Ring2][Ring1][#Branch1] |
CHEMBL4291624 | [C][#C][C][=C][C][=C][C][Branch2][Ring2][Branch1][O][C][=Branch1][C][=O][C@H1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][N] |
CHEMBL4291625 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] |
CHEMBL4291626 | [C][C@@H1][C][N][Branch2][Ring1][#Branch2][C][C][C][C][C@H1][C][N][C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][=Branch1][C][=S][N][Ring2][Ring1][=Branch2][C][C][C][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4291627 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] |
CHEMBL4291711 | [C][C][C][C][C][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O] |
CHEMBL4291712 | [C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][C][=C][C][=C][N][Ring1][Branch1][C][=Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291713 | [O][=C][Branch1][=N][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] |
CHEMBL4291714 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Ring1][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F] |
CHEMBL4291797 | [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] |
CHEMBL4291798 | [O][=C][C][Branch1][C][O][=C][Branch1][C][Br][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4291799 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4291800 | [C][C][O][C][=Branch1][C][=O][N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4291801 | [N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] |
CHEMBL4291876 | [C][C][=N][C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=C][O] |
CHEMBL4291877 | [C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][S][Ring1][=Branch2][S][Ring1][P] |
CHEMBL4291878 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=S][=C][C][=N][Ring1][=Branch2] |
CHEMBL4291879 | [C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][O] |
CHEMBL4291962 | [O][=C][C][=C][Branch1][=N][C][=C][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][P] |
CHEMBL4291963 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][S][C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][N][/C][=C][\C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch2][=N][C][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring1] |
CHEMBL4291964 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch1][=Branch1][O][C][C][N][C][=C][Branch2][Branch1][Branch2][C][N][C][C][N][Branch2][Ring2][O][C][C][=C][N][Branch2][Ring1][#C][C][C][O][C][=C][C][=C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][S][N][=N][Ring2][Ring2][=Branch1][=C][C][=C][Ring2][Branch1][=Branch2][Ring2][Ring2][#C] |
CHEMBL4291965 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][N] |
CHEMBL4291966 | [N][C][=N][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][C][N][=N][NH1][N][=Ring1][Branch1] |
CHEMBL4292054 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=N][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4292055 | [Cl].[O][C][C@H1][N][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][Branch1][=C][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4292056 | [C][C][=C][C][=C][Branch2][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4292057 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][P][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][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C@][Ring2][Ring1][=N][Ring2][Ring2][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][=C][=O] |
CHEMBL4292058 | [O][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] |
CHEMBL4292132 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C][=C][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4292133 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][=C][Ring1][P][O][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4292134 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][O][C][=N][Ring1][Branch1][C][C][Ring1][=N] |
CHEMBL4292135 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][Branch2] |
CHEMBL4292219 | [F][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][Br][=C][Ring2][Ring1][O] |
CHEMBL4292220 | [F][C][Branch1][C][F][C][C][C][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=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][O][C][C][Ring2][Ring2][Ring1] |
CHEMBL4292221 | [C][C][C][C][N][Branch2][=Branch1][#Branch1][C][C][=Branch1][C][=O][O][C@@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][#Branch2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][C][C][C][C][C@][Ring1][=N][Ring2][Ring1][Ring1][C][C@@][Ring2][Ring1][=N][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring2][O] |
CHEMBL4292222 | [O][=C][Branch2][Ring1][#C][C][O][C][=C][C][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O] |
CHEMBL4292223 | [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][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL4292224 | [C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][=C][C][=C][Ring1][O][Cl] |
CHEMBL4292225 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][S][C][C][C][C][C][Ring1][Branch1][O][Ring1][O][C][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4292321 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][=C][Ring1][O] |
CHEMBL4292322 | [O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][Se][Ring1][=N][C][Branch1][C][F][=C][Ring2][Ring1][Ring2] |
CHEMBL4292323 | [O][=C][Branch1][C][O][C@H1][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C@H1][Ring2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4292324 | [C][C][C][C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1] |
CHEMBL4292325 | [O][=C][/C][=Branch2][Ring1][#Branch2][=C][Branch1][#Branch2][\N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=C][N][Ring2][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4292401 | [F][C][Branch1][C][F][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][C][C][=C][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][C][Ring2][Ring1][N] |
CHEMBL4292402 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring2][C][C][N][C][=C][Branch2][Ring1][=Branch1][C][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][N][=N][Ring2][Ring1][C][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][=Branch2][O] |
CHEMBL4292403 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C][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][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][Branch1][Branch2][=O] |
CHEMBL4292404 | [C][S][C][C][C@@H1][N][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@@H1][Branch2][Branch2][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][Ring2][Ring2][=Branch2][=O][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][=N][C][S][S][C][C@H1][Branch1][C][N][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][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][Ring2][=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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][Ring2][N][N][=O] |
CHEMBL4292405 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][N][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4292406 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C][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][C][C][N][N][C][=Branch1][C][=O][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][=Branch1][C][C][C][C][N][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][C][=C][N][=C][NH1][Ring1][Branch1][C][Branch1][C][N][=O] |
CHEMBL4292407 | [O][=C][Branch2][Ring2][Branch1][O][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4292408 | [C][N][C][C][N][Branch2][Branch1][#Branch1][C][=C][C][=C][Branch2][Ring2][O][N][C][=N][C][=C][C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S][C][C][Ring2][Ring2][=Branch1] |
CHEMBL4292409 | [F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#C][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] |
CHEMBL4292489 | [C][C@@H1][C][C][C][/C][=C][/C][=C][/C@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][/C][=C][\C][=C][\C@@H1][Branch1][C][O][C][/C][=C][/C][=C][\C][=Branch1][C][=O][O][Ring2][Ring1][=N] |
CHEMBL4292490 | [C][O][C][=C][C][Branch2][Branch1][Ring2][/C][=C][/C][=Branch1][C][=O][O][C][C][C][N][Branch1][C][C][C@H1][C][C][C@@H1][Branch2][Ring1][#Branch2][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][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C] |
CHEMBL4292491 | [C][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][=N][N][C][=Branch2][Ring2][C][=C][Ring1][Branch1][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring1][P][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][P] |
CHEMBL4292492 | [C][=C][Branch2][Branch1][=C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][=Branch1][C][=O][C@H1][O][C@][Ring1][Ring1][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@][Ring2][Ring1][#Branch2][Ring2][Ring1][=N][C][C][Branch1][C][C][C] |
CHEMBL4292493 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=C][Branch2][Ring1][#Branch2][C][C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][N][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4292494 | [C][=C][C][C][N][C][=N][C][Branch1][=Branch1][N][C][C][C][=C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] |
CHEMBL4292570 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][C][C][O][N][=C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][F][C][=Ring2][Ring1][C][Br][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4292571 | [C][N][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][=Branch2][Ring1][#Branch2] |
CHEMBL4292572 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][C@H1][Ring1][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL4292573 | [C][C][=C][N][=C][Branch2][Ring2][=C][C][N][C][C@@H1][Branch1][C][C][C@][Branch1][C][F][Branch2][Ring1][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][Ring2][Ring1][Branch2][C][=N][Ring2][Ring1][#C] |
CHEMBL4292662 | [C][C][N][Branch1][C][C][C][=Branch1][C][=N][N][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] |
CHEMBL4292663 | [C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][P][=O] |
CHEMBL4292664 | [C][C][C][C][Branch1][C][N][Branch1][Ring2][C][C][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL4292665 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][O][N][N][=N][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1] |
CHEMBL4292666 | [C][O][C][=C][C][=C][C][Branch2][Ring2][S][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][#C][O][C].[Br-1] |
CHEMBL4292667 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C@H1][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Ring1][#C] |
CHEMBL4292742 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch2][Ring1][C][=C][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2] |
CHEMBL4292743 | [N][#C][C][=C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] |
CHEMBL4292744 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch1][N][C][C@H1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][Ring1][#Branch2][O][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4292745 | [C][C][C@H1][Branch1][C][C][C@@H1][C][=Branch1][C][=O][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL4292823 | [C][N][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][Ring1][C][=O][N][=C][Ring1][Branch2][Ring1][N][N][=N][Ring2][Ring1][Ring2] |
CHEMBL4292824 | [C][C][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4292825 | [C][N][C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL4292826 | [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][N][=O] |
CHEMBL4292827 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4292900 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Branch1][C@@H1][O][C@@][Branch1][Ring1][C][O][Branch1][Ring2][N][=N+1][=N-1][C@@H1][Branch1][C][O][C@@H1][Ring1][O][F][N][=N][Ring1][P] |
CHEMBL4292901 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][#C] |
CHEMBL4292902 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4292903 | [C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][Branch2][=N][Branch1][C][=Branch1][C][=O][C][N][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][O][Ring1][C][=Branch1][C][=O][C][N][Branch2][=Branch2][=C][C][=Branch1][C][=O][C][N][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][#Branch1][N][C][=Branch1][C][=O][C][N][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][C][N][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][N][Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][C][N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4292904 | [O][=S][=Branch1][C][=O][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
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