chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4292050 | [C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C@@H1][O][C@H1][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=Branch1][O][C][Ring2][Ring1][N][=O] |
CHEMBL4292051 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][S][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][C][Branch1][Branch2][C][C][C][C][O][Ring1][=Branch1][C][C][Ring1][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4292052 | [C][C][C][C][Branch1][C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][=N][C][Ring2][Ring1][#Branch1] |
CHEMBL4292053 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][#C][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][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C@][Ring2][Ring1][O][Ring2][Ring1][S][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][N][=O] |
CHEMBL4292128 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4292129 | [C][N][Branch1][C][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][C][#N][=C][NH1][Ring1][#Branch1][C][Branch1][#C][C][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4292130 | [C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][C][N][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][C][=Ring1][S][C][Ring2][Ring1][Ring2] |
CHEMBL4292131 | [C][N][Branch1][#C][C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1].[Cl] |
CHEMBL4292212 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][Branch2] |
CHEMBL4292213 | [C][O][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][Branch2][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][Branch1][Ring1][C][=O][=C][C@@][Branch1][C][C][Branch1][O][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C@@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][Ring1][Branch1][C][C][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C][C][Ring2][Ring2][Ring2] |
CHEMBL4292214 | [F][C][=C][C][=C][C][Branch2][Branch1][C][C][N][C][=N][C][Branch1][N][N][C][C][C][=C][C][=C][C][=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][=C][Ring2][Ring2][Ring1] |
CHEMBL4292215 | [C][=C][C][N][C][NH1][N][=C][N][=N][N][Branch1][=C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][Ring1][S] |
CHEMBL4292216 | [C][C][C][=C][Branch2][Ring2][N][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][Branch1][N][Branch1][C][C][N][=Ring2][Ring1][N] |
CHEMBL4292217 | [C][C][Branch1][C][C][=C][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4292218 | [C][O][C][=C][C][=C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][N][=C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][N][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C][C][C][C][C][C][C][=Branch1][C][=O][N][O] |
CHEMBL4292314 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1] |
CHEMBL4292315 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][N][=N][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][=C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1] |
CHEMBL4292316 | [N][#C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4292317 | [C][C][C][C][C@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][=O][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][N][=O] |
CHEMBL4292318 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][O][C][C][C][C][Branch2][Ring2][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4292319 | [C][C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][O][C][Ring1][Ring1][Branch1][C][C][C][Branch1][N][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][Ring1][S][Branch1][C][C][O][Ring2][Ring1][Branch2][C][Branch1][C][O][=C][Ring2][Ring2][C][C][=Branch1][C][=O][C][Ring2][Ring2][#Branch1][=C][Branch1][C][O][C][O][C][Ring1][Ring1][Branch1][C][C][C][Ring2][Ring2][=C][O] |
CHEMBL4292320 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch1][Ring2][N][C][#N][C][=C][C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Branch1] |
CHEMBL4292396 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][=Branch1][C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2][C][C][C][Ring2][Ring1][O] |
CHEMBL4292397 | [C][C][C][O][C@@H1][O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Branch2][Branch1][=C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C@H1][Ring2][Ring1][=C][O][C@H1][Branch2][Ring1][Ring2][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][Ring2][Branch1][#Branch1][O] |
CHEMBL4292398 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][C][=O] |
CHEMBL4292399 | [Cl].[Cl].[N][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][=N] |
CHEMBL4292400 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch2] |
CHEMBL4292484 | [C][C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][=N][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4292485 | [C][C][C][N][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] |
CHEMBL4292486 | [C][N][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][C][Ring2][Ring1][Ring1] |
CHEMBL4292487 | [N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4292488 | [O][=C][C][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][Ring1][#C][O] |
CHEMBL4292566 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4292567 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][O][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=C][C][=C][C][Branch1][N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=C][N][Ring2][Ring1][Branch2][Ring1][=N][C][C][Ring2][Ring1][#C] |
CHEMBL4292568 | [C][O][C][=C][C][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][=C] |
CHEMBL4292569 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][#Branch1][Ring1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][S][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C][C@H1][Ring2][Ring2][C][C][Ring2][Ring2][#Branch1][=C][Ring2][Branch1][C].[Cl] |
CHEMBL4292658 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch2][Ring1][Ring1][/C][=C][/C][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O] |
CHEMBL4292659 | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4292660 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N] |
CHEMBL4292661 | [O][=C][Branch2][Ring1][Branch2][N][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4292738 | [C][C][Branch1][C][C][C][C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring1][P][=C][Ring2][Ring1][O][O][Ring2][Ring1][S] |
CHEMBL4292739 | [C][C][C@H1][Branch1][C][C][/C][=C][Branch1][C][C][/C][=C][/C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][Ring1][=N][=C][O][Ring1][P] |
CHEMBL4292740 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][P][Ring1][#Branch1] |
CHEMBL4292741 | [C][C][C][C][C][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] |
CHEMBL4292816 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C@H1][C][C@H1][Branch1][N][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4292818 | [O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][S] |
CHEMBL4292819 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][Cl] |
CHEMBL4292820 | [O][=C][Branch2][Ring2][Ring1][/C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S] |
CHEMBL4292821 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][#C][S][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4292822 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4292896 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][N][=C][C][=C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][Ring2][Ring1][P] |
CHEMBL4292897 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4292898 | [O][=C][/C][=Branch1][=N][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL4292899 | [C][C][=N][N][Branch2][Ring1][=Branch1][C][C][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1] |
CHEMBL4292985 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4292986 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4292987 | [N][#C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=C] |
CHEMBL4292988 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL4293075 | [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C@H1][Branch1][C][C][N][C@@H1][Ring1][Branch2][C] |
CHEMBL4293076 | [N][=C][Branch1][C][N][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][C][N][C][=Branch1][C][=N][N][C][=C][Branch2][Ring1][=Branch1][C][Branch1][O][N][C][C][C][N][C][=Branch1][C][=N][N][=C][Ring2][Ring1][=Branch1][O][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4293077 | [O][=C][C@H1][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293078 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] |
CHEMBL4293079 | [C][O][C@H1][C][C@@H1][C][C][=C][C@@H1][Branch2][O][Branch2][C][C@@H1][Branch1][C][O][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][C][C@H1][C][C@H1][Branch1][Ring1][O][C][C][C@H1][Branch1][C][C][O][Ring1][=Branch2][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][O][C][C][C@@H1][C][C][=C][C@@H1][Branch2][=Branch1][Ring2][C][C@@H1][Branch1][C][O][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][C][C@H1][C][C@H1][Branch1][Ring1][O][C][C][C@H1][Branch1][C][C][O][Ring1][=Branch2][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C@@H1][Ring2][#Branch1][=Branch2][C][O][Ring2][Ring2][O][O][Ring2][#Branch1][#Branch2] |
CHEMBL4293080 | [C][O][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C][=Branch1][C][=O][/C][=C][/C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C@H1][Ring2][Ring1][#Branch1][C] |
CHEMBL4293081 | [C][C][O][C][N][C][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring1][=C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4293082 | [C][C][Branch1][C][C][C@@H1][C][C][=C][C@H1][Branch2][Ring1][P][C][C][C@][Branch1][C][C][C@@H1][Branch1][N][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C@@H1][Branch1][C][Cl][C][C@][Ring2][Ring1][C][Ring1][=C][O][C@@][Ring2][Ring1][#Branch1][Branch1][Ring1][C][=O][C@@H1][O][C@@H1][Ring1][Ring1][C@@H1][Ring2][Ring1][#C][O][C][Branch1][C][N][=O] |
CHEMBL4293165 | [C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][C][C][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4293166 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][S][Ring1][N] |
CHEMBL4293167 | [C][/N][=C][Branch2][#Branch1][=Branch2][/N][C][C][C][C][C@H1][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][N][Branch1][C][C][C] |
CHEMBL4293168 | [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][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4293169 | [2H][C][Branch1][C][2H][Branch1][C][2H][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][S][C][C][C@][Branch1][C][C][Branch1][C][O][C][C][C][C@H1][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][2H][Branch1][C][2H][2H][C][Ring2][Ring1][P][=O] |
CHEMBL4293170 | [C][C][C][C][=N][C][Branch1][C][C][=C][Branch1][O][C][C][=Branch1][C][=S][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
CHEMBL4293171 | [O][C][C@H1][O][C@@H1][Branch2][Ring1][P][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][=C][N][=C][Ring1][O][Ring2][Ring1][Ring1][C@@H1][Branch1][C][F][C@@H1][Ring2][Ring1][=Branch2][O] |
CHEMBL4293247 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch1][#C][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][O][C@@H1][Ring1][#C][C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4293248 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][=C][O][C][Ring2][Ring1][O][=C][Ring2][Ring1][P] |
CHEMBL4293249 | [N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][=Branch2] |
CHEMBL4293250 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][#Branch1] |
CHEMBL4293337 | [C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][C][I][=C][Ring1][S][O][C] |
CHEMBL4293338 | [C][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][N+1][C][C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Branch1][C][C][Ring1][=Branch2][C][C][Ring1][O][=N][Ring2][Ring1][#Branch1] |
CHEMBL4293339 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4293340 | [C][C][N][C][C][N][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=N][C][=C][Branch1][C][F][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][Ring1][C][C][C][Branch1][C][C][=N][Ring1][#Branch2][=N][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P] |
CHEMBL4293413 | [O][=C][N][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][Ring2][Ring1][Ring1][=O] |
CHEMBL4293414 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4293415 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL4293416 | [C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\S][C][C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4293509 | [C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][C][Branch1][N][N][C][C][C][O][C][C][Ring1][Branch1][Ring1][=Branch1][=N][C][Branch1][N][N][C][C][C][O][C][C][Ring1][Branch1][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4293510 | [N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Branch2][N][C@H1][C][C@H1][Ring1][Ring1][F][=C][C][Branch2][Ring1][S][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][F][=C][Ring1][P][=N][N][Ring2][Ring1][S][Ring2][Ring1][=N] |
CHEMBL4293511 | [N][#C][/C][=Branch1][S][=C][\C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1] |
CHEMBL4293512 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][C][C][C][=N][NH1][C][=Branch1][C][=S][N][Ring1][=Branch1][/N][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4293513 | [Cl].[N][#C][C][=C][N][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][C][C][C][C][Ring1][=Branch1][NH1][Ring2][Ring1][O] |
CHEMBL4293593 | [C][C][=C][C][=C][Branch1][S][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1][C][=C][Ring1][P] |
CHEMBL4293594 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=S][N][C][Ring1][=Branch1][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4293595 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=C][/C][=Branch1][C][=O][N][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=N][N][C][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4293596 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][N][=C][C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][=C][Ring1][P] |
CHEMBL4293680 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
CHEMBL4293681 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][O][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][Cl][C@][Ring2][Branch1][=C][Branch1][C][C][O] |
CHEMBL4293682 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][=C][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] |
CHEMBL4293683 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4293685 | [O][=C][N][/C][=Branch1][Ring1][=N][\O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2] |
CHEMBL4293686 | [C][O][C][=C][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][=Branch1][N][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring1][S][O][C] |
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