chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL501317 | [N][/C][=Branch2][Branch2][Branch2][=N][/C][=Branch1][C][=O][C][C][C][N][C][=C][Branch2][#Branch1][Branch1][C][=C][C][=C][Branch2][=Branch1][=Branch2][C][=C][N][Branch2][Branch1][=C][C][C][C][C][=Branch1][C][=O][/N][=C][Branch1][C][\N][N][C][C][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Bra... |
CHEMBL501323 | [C][O][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch2][Branch2][Branch2][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][#Branch1][Ring2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][Branch1][C][/C][C][C... |
CHEMBL501326 | [C][C][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Rin... |
CHEMBL501328 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL501858 | [O][=C][Branch1][C][O][/C][Branch1][C][O][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][S] |
CHEMBL501871 | [C][O][C][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][... |
CHEMBL501874 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring2][C][Ring1][Branch2][N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=B... |
CHEMBL501877 | [C][C][Branch1][C][C][Branch1][C][F][C][C@H1][Branch2][Ring2][O][N][C@@H1][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C][N][Branch1... |
CHEMBL502678 | [N][=C][Branch1][C][N][N][C][C][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@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][... |
CHEMBL501571 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=N][N][C][Branch1][C][C][C][C][=C][Ring1][N][S][Ring1][#C][N][=C][Ring2][Ring1][=Branch1].[Cl].[Cl] |
CHEMBL501587 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][C][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][C][C][C][S][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N] |
CHEMBL505038 | [O][=C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] |
CHEMBL500179 | [C][=C][C][C][C@H1][C@][Branch1][C][C][Branch1][=Branch2][C][C][C][=C][Branch1][C][C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C][C][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C@@H1][Ring2][Ring1][N][C][C][=C][Branch1][Ring1][O][C][O][C][Branch1][C][C][=C][Bra... |
CHEMBL502582 | [N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL503340 | [C][=C][/C][=C][\C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][C][/C][Branch1][C][C][=C][\C@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][/C][=C][\C@H1][Br... |
CHEMBL503342 | [C][C][Branch1][C][C][C@H1][Branch2][O][Branch2][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C]... |
CHEMBL503345 | [C][C][=Branch1][C][=O][O][C@@H1][C@@H1][O][C@][Ring1][Ring1][Branch1][C][C][C@@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][O][C@@][Ring1][Ring1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][Branch2][/C][=C][Branch1][C][/C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branc... |
CHEMBL503350 | [C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@H1][C][C][C@H1][Branch2][Ring2][C][C@H1][Branch1][C][O][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][C@@H1][Branch1][C][O][C][C][=C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O][O][Ring2][Ring1][N] |
CHEMBL503419 | [C][O][C][=C][C][Branch1][C][O][=C][C][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][C][=Branch2][Ring1][=C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1][C@@][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][=C][C][C... |
CHEMBL503422 | [F][C][=C][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][Ring1][O] |
CHEMBL503430 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][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][O][C@@H1][C][C@@H1][C][C][O][C@@H1][Ring1][Branch... |
CHEMBL503434 | [C][O][C][=Branch1][C][=O][C@@][C][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][Branch1][C][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch2][Rin... |
CHEMBL503508 | [C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Ring1][=Branch1] |
CHEMBL503512 | [C][C][Branch1][C][C][C][C@H1][Branch2][O][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Bran... |
CHEMBL503517 | [C][C][C][C][O][C][=C][C][=C][C][=C][C][=N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][#Branch1][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2... |
CHEMBL538686 | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C@@H1][C][=Branch1][C][=O][C@][Branch2][Ring1][=Branch1][C][=C][Branch1][C][C][C@H1][Branch1][#Branch1][O][... |
CHEMBL538689 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C@@H1][Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][=Branch2][Ring2][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=... |
CHEMBL538692 | [N][C][=N][C][Branch1][C][F][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][=C][C][S][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Ring1][#C][O] |
CHEMBL538765 | [C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][=Branch2][C][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=Ring1][=Branch2][Ring1][S].[Cl] |
CHEMBL547873 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring1][#C][C@@H1][Branch1][C][O][C][N][C][C][C][N][Branch1][C][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL548334 | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=Ring1][P][C] |
CHEMBL546744 | [C][C][C][N][C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][N][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring2][Ring1][Ring1][O] |
CHEMBL1205641 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N] |
CHEMBL507756 | [C][C][=C][Branch1][C][O][C][=C][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Ring1][N][=Ring1][#Branch1][C][C][C][C][Ring1][#Branch2] |
CHEMBL507764 | [C][C][=Branch1][C][=O][O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][Ring1][=O] |
CHEMBL507824 | [C][C][Branch1][C][C][C@H1][Branch2][Branch1][#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][=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][=B... |
CHEMBL507884 | [C][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL507894 | [C][C][=Branch1][C][=O][O][C][C@][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][C@@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring1][N][Branch1][Branch2][C][O][C][Branch1][C][C][=O][O][Ri... |
CHEMBL507896 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][O][/C][=Branch1][#Branch2][=N][\C][=C][C][=C][C][=C][Ring1][=Branch1][S][S][/C][=Branch1][#Branch2][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Bran... |
CHEMBL507897 | [O][C][=C][C][=C][Branch2][#Branch1][Branch1][C][=C][N][=C][Branch2][=Branch1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=N][C][=Branch2][Ring1][=Branch2][=C][Br... |
CHEMBL507903 | [C][C][N][Branch2][Branch1][#C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][Ring2][Ring1][P][=O][C... |
CHEMBL508159 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C@H1][Branch2][Ring1][=C][C][C][=C][C@H1][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Ring1][N][C][C][Ring1][S][N][Branch1][C][C][C][=C][Ring2][Ring1][O][C][=C][C][=C][C][=C][Branch1][#Branch1... |
CHEMBL503315 | [C][C][Branch1][C][C][=C][N][C][C][=C][Branch1][C][C][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Ring1][O][=Ring1][=Branch1][C][C@@H1][Ring1][#C][C] |
CHEMBL501589 | [C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL501682 | [C][C@@H1][O][C@@H1][Branch2][=Branch1][P][O][C@H1][C@H1][Branch2][Branch1][S][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][O][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][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][R... |
CHEMBL501687 | [C][C][N][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][C][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][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][... |
CHEMBL499568 | [C][C][C][=C][C][=C][Branch1][=N][C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Branch1][C][F][=C][Ring1][#C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2] |
CHEMBL499925 | [C][O][/C][Branch1][C][C][=C][/N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][=Bran... |
CHEMBL499926 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch2][O][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][... |
CHEMBL499931 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch2][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][N][C][=Bran... |
CHEMBL499957 | [C][S][C][C][C@H1][Branch2][#Branch1][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C... |
CHEMBL499959 | [C][O][C][=C][C][Branch2][=Branch1][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][... |
CHEMBL499961 | [C][N][C][C][N][Branch2][=Branch1][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][NH1][Ring1][N][C][C][Ring2][R... |
CHEMBL154357 | [O-1][S+1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][N][Ring1][=Branch2][C][C][C][Ring1][Ring1] |
CHEMBL504055 | [C][C][O][C][=Branch1][C][=O][C][C][C][C@@H1][C][C@H1][C][C@][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring2][Branch1][O][C][=C][C][=C][Branch1][O][C][Branch1][C][O][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]... |
CHEMBL500483 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][C... |
CHEMBL500495 | [C][O][C][=C][C][=C][Branch2][Branch1][S][/N][=C][Branch2][Ring1][Branch1][\O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][S][/C][=Branch1][=C][=N][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=B... |
CHEMBL500508 | [C][O][C][=C][C][Branch2][Branch1][#C][C@@H1][C][=C][C][=C][Branch2][Ring2][P][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][N][N][C][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=N][Ring1][S][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1]... |
CHEMBL500773 | [C][C@H1][Branch2][=Branch1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][S][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][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C]... |
CHEMBL500782 | [C][C][=Branch1][C][=O][O].[O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][P][C][C][C][C][O][C][C][C][C][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2][=C][Ring2][Ring1][=C] |
CHEMBL500788 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=B... |
CHEMBL541483 | [C][C][Branch1][C][C][N][C][C][C][Branch2][Ring1][#C][O][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2] |
CHEMBL545402 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=C][Branch1][P][O][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][#Branch1][Ring1][S][C@H1][Branch1][Ring1][C][Br][C][N][Ring1][Branch2][C][=Branch1][C]... |
CHEMBL547643 | [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][S][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F]... |
CHEMBL547407 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL1163197 | [C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][C][N][Branch2][Ring1][P][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Br... |
CHEMBL525771 | [C][O][C@H1][C][C@H1][Branch2][#Branch1][#Branch1][O][C@H1][C@@H1][Branch1][Ring1][O][C][C][C@H1][Branch2][=Branch1][Branch1][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Branch1][Branch1][=C][C][C@][Branch1][C][O][C@@H1][Ring1][Branch2][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring... |
CHEMBL526157 | [C][=C][C@@H1][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][C@@][C][O][C@@][Branch1][C][O][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C@@H1][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring1][=C][O][C][Branch1][C][C][=O][C@][Ring2][Ring1][Ring2][Branch1][Branch1][C][Ring2][Ring1][N][... |
CHEMBL4116100 | [C][O][C][=C][C][=C][C][=N][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][Ring1][=C][=C][NH1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL503357 | [O][=C][Branch1][Ring1][C][Cl][N][C][=C][N][Branch1][#Branch2][C][O][C][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][NH1][C][Ring1][=C][=O] |
CHEMBL503370 | [C][C][=C][O][C][=C][Branch1][C][C][C][=C][C][Branch2][=Branch1][Branch2][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C... |
CHEMBL503373 | [C][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][=Branch1][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C... |
CHEMBL503376 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][C][Br][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL503459 | [C][N][C][C][C][Branch2][=Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Branch1][C][N][C][C][C][C][C][C][C][C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][S][C][... |
CHEMBL503461 | [C][C][Branch1][C][C][C][C@@H1][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][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch1][#Branch1][N][C][Ring2][Ring2][Branch1][=O][C... |
CHEMBL503463 | [C][C][=C][C@@H1][Branch2][Branch1][=Branch1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][C][C][=C][C@@H1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][O][C@@H1][C][C][=Branch1][C][=O][O][C@][Ring1][O][Ring1][=Branch1][C][C@@][Ring1][S][Branch1][C][O][C][C][C@@][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2][C][O]... |
CHEMBL503466 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][=Branch1][Ring2][C@@H1][Branch2][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=Branch1][/C][=C][\C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2]... |
CHEMBL503467 | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][/C][=Branch1][#C][=N][/N][C][=Branch1][C][=S][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][C@@H1][Branch1][C][Cl][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring2][Ring1][=Branch1][C][C][C@@][Ring2][Ring1][#Branch2][Ring2][Ring1][=N][C] |
CHEMBL503046 | [C][N][C][C][C@][Branch2][=Branch1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][N][Branch1][C][C][C][C][C@@][Ring1][=Branch2][C@@H1][N][C][=C][Branch2][Ring1][N][C][=C][C][=C][Ring1][=Branch1][C@][C][C][N][Branch1][C][C][C@H1][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C@][Ring2][Rin... |
CHEMBL503047 | [C][C@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@... |
CHEMBL503058 | [C][O][C@H1][C@H1][Branch2][=Branch1][=N][O][C][C@@H1][O][C@@H1][Branch2][Branch1][N][O][C@@H1][Branch2][Branch1][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C@@H1][Branch1][C][O][C@H1][C@][Branch1][C][O][C][C@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=C][C][C][C@... |
CHEMBL503272 | [C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][B... |
CHEMBL1204471 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=N][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL503286 | [C][/C][=C][\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][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Branch2][N][N][C][=Branch1][C][=O]... |
CHEMBL504059 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O]... |
CHEMBL504067 | [C][=C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C@@H1][C@H1][Branch2][Branch1][=Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C]... |
CHEMBL504214 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N+1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring... |
CHEMBL504216 | [C][C][Branch1][C][C][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][=C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Br... |
CHEMBL504397 | [C][C][Branch1][C][C][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][=Branch2][Ring2][P][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][S][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring2][C][C][C@][Ri... |
CHEMBL504398 | [O][=C][Branch2][Branch1][#Branch2][N][C][=C][C][=C][C][Branch2][Ring2][=N][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][=N][Ring2][Ring1][Ring1][=C][Ring2][Ring2][C][C][=C]... |
CHEMBL504401 | [C][C@@H1][O][C@@H1][Branch2][N][Ring1][O][C@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][=Branch2][=N][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=... |
CHEMBL506660 | [C][=C][Branch2][=Branch1][=Branch2][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C][=C][Branch1][N][C][C@H1][Branch1][C][O][C@][Ring1][O][Ring1][Branch2][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][Branc... |
CHEMBL506982 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Branch2][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][O][N][C][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL506990 | [C][O][C][=C][C][=C][Branch2][N][P][/C][=C][/C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Branch1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring2][=Branch1][O][C@@H1][O][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch... |
CHEMBL502060 | [C][C][=C][N][Branch3][Ring2][C][Ring2][C@@H1][O][C@@][Branch1][Ring1][C][O][C][O][C@@H1][Ring1][Branch2][C@@H1][Ring1][#Branch1][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@][C][O][C@H1][Branch3][Ring1][=C][N][C@@H1][Ring1][Branch1][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C]... |
CHEMBL4116107 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Ring1][Branch1][C][C][=N][C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][Branch2] |
CHEMBL502072 | [Cl].[Cl][C][=C][C][=C][C][=N][N][Branch1][=Branch2][N][=C][N][C][C][N][Ring1][Branch1][C][=C][Ring1][#C][Ring1][O] |
CHEMBL502296 | [O][=C][N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][/C][Ring1][N][=C][\C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL539383 | [C][/N][=C][Branch1][C][\S][C@][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][C][C][S+1][Ring2][Ring1][C][O-1] |
CHEMBL539392 | [C][C@][C][C][C@@H1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C@H1][Ring1][O][C@@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Branch1][S][O][C][C][C][C][O][C][C][C][C][O][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1... |
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