chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4292620 | [C][C][C][C][=N][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N] |
CHEMBL4292621 | [C][O][C][C][C][N][C][C][N][Branch2][Branch1][Branch2][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][Branch2][=C][\C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][#Branch1] |
CHEMBL4292622 | [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][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4292623 | [C][C][C@@H1][Branch1][Ring1][C][O][N][C][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C].[Cl] |
CHEMBL4292707 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][Branch1][C][O][C][Branch1][#C][/C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][/O][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4292708 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][Branch2][O][C][=C][C][=N][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][=C][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][P][Ring2][Ring1][=N] |
CHEMBL4292709 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][Branch1][Branch1][=O] |
CHEMBL4292710 | [C][C][C@H1][Branch1][C][C][C][=C][Branch1][C][O][N@@+1][Branch1][C][O-1][O][C][=C][C][=C][Branch2][Ring2][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][=N][O][C@@][Ring2][Ring2][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring2][N][O][C] |
CHEMBL4292711 | [C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][C][C][=O][C][=C][Ring1][=Branch2][C][C][C][N][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4292712 | [N][/N][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring1] |
CHEMBL4292713 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CHEMBL4292714 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4292788 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][O][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][C][=O][C][Branch1][C][C][=C][Ring1][#Branch2][Cl] |
CHEMBL4292789 | [C][S][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4292790 | [C][C][=Branch1][C][=O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][=Branch1][=C][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][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][Ring1][=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][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Branch1][Ring1][C][C][C@][Ring2][Branch1][#Branch1][Ring2][Branch1][=N][C] |
CHEMBL4292791 | [C][C][Branch1][C][C][N][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][C][Ring1][N] |
CHEMBL4292792 | [O][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Ring2][Ring1][Branch2] |
CHEMBL4292793 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][O][=C][Ring2][Ring1][=Branch2] |
CHEMBL4292866 | [C][O][C][=C][C][Branch2][Ring1][Branch2][S][C][=C][NH1][C][=C][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring1][=C][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4292867 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4292868 | [C][C][O][/N][=C][\C][=Branch1][C][=O][N][Branch2][=Branch1][=C][C][C][C][N][C][C][N][Branch2][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch2][Ring2][C][C][=Branch1][C][=O][O][C][C][C][N][C][=Branch1][C][=O][/C][=Branch1][Branch1][=N][/O][C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][#C][=C][N][Ring2][Ring1][#C][C][C][C][Ring1][Ring1][C][C][Ring2][Ring2][#Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring2][Branch1][Branch2] |
CHEMBL4292869 | [C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][N][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][Ring2][Ring1][=Branch1] |
CHEMBL4292870 | [O][=C][Branch1][=N][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4292946 | [C][C][C][C][C][C@@H1][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][C][C@H1][C][=C][O][C][Branch1][C][C][=C][C][Ring1][#Branch1][=C][Branch1][Ring1][C][=O][C][=Branch1][C][=O][C@][Ring1][=C][Branch1][C][C][O][O][C] |
CHEMBL4292947 | [C][C][=Branch1][C][=O][O][C@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][/C][=C][/C@@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C@@][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][#C][C@H1][O][C][=Branch1][C][=O][C][C][C@@][Ring1][#Branch1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring2][O][O][C][C][Branch1][C][C][C] |
CHEMBL4292948 | [C][C][C][C][C][=C][C][=C][Branch2][Ring1][P][C][=C][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][=N][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4292949 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][Ring2][Ring1][Ring2] |
CHEMBL4292950 | [C][N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4293038 | [C][C][=C][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4293039 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4293040 | [C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][O][C@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C][C][C@@][Branch1][C][C][C@H1][Ring2][Ring1][Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#Branch2][Branch1][C][C][C][C][C@][Ring1][#C][Ring2][Ring1][Branch1][C] |
CHEMBL4293041 | [O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][=N][N][C][C][=C][C][=C][Branch1][C][I][S][Ring1][=Branch1][Branch1][Ring2][C][Ring1][#C][C][Ring2][Ring1][C] |
CHEMBL4293042 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][O] |
CHEMBL4293043 | [N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C] |
CHEMBL4293131 | [O][=C][Branch1][C][O][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293132 | [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][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4293133 | [C][#C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293134 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4293216 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][\C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] |
CHEMBL4293217 | [C][C][Branch1][C][C][=C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch2][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4293218 | [O][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Branch2][C][C][=C][C][=C][C][Branch2][#Branch1][=Branch1][O][C][C][O][C][C][N][C][=C][Branch2][=Branch1][Branch1][C][=C][C][=C][C][Branch2][Branch1][=Branch2][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=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][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][=C][Ring2][Ring2][#Branch2][N][=N][Ring2][Ring2][#C][=C][Ring2][Branch1][O][O][C][=C][C][=C][C][=C][Ring2][=Branch1][=N][Ring1][=Branch1] |
CHEMBL4293219 | [O][=C][C][=N+1][Branch1][C][O-1][C][=C][NH1][Ring1][#Branch1] |
CHEMBL4293220 | [C][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Ring1][#Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N].[Cl] |
CHEMBL4293222 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Branch1][S][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][Branch1][/C][=N][/N][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][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2][C][Branch1][C][F][=C][Ring2][Ring1][P][C][=Branch1][C][=O][O][Ring2][Ring2][#Branch1] |
CHEMBL4293301 | [O][=C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][N][Ring2][Ring1][=N] |
CHEMBL4293302 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring2][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][O][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][=Branch2][Ring2][Ring1][#C] |
CHEMBL4293303 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][C][O][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4293304 | [C][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][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] |
CHEMBL4293305 | [O][=C][Branch1][C][O][C][S][C][Branch2][Ring1][Branch1][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][=N][C][=Ring1][P][O][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] |
CHEMBL4293306 | [Cl].[C][N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][=N][Ring2][Ring1][O] |
CHEMBL4293383 | [C][O][C][C][N][C@H1][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=C][C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][=N][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O] |
CHEMBL4293384 | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Br][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Br][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=C][C][C][C@][Ring2][Ring1][C][Ring2][Ring1][N][C] |
CHEMBL4293385 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][=C][C][=N][Ring2][Ring1][Branch1] |
CHEMBL4293386 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch1][#Branch1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][C][C][Ring1][N] |
CHEMBL4293387 | [C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][N][C][C][N][C][C][N][C][C][Ring1][=Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][=C] |
CHEMBL4293475 | [O][=C][Branch2][Ring1][#Branch2][C][S][C][=N][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][#C][Ring1][N][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4293476 | [C][O][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][#C][C@@H1][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][O][O][Ring1][S][C][=C][Ring2][Ring1][#Branch1][O] |
CHEMBL4293477 | [C][O][C][=C][C][=C][NH1][C][=C][Branch2][=Branch1][O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][Ring2][Branch1][Ring2][=C][Ring2][Branch1][Branch2] |
CHEMBL4293478 | [C][O][C][=C][C][=C][Branch2][#Branch1][=N][C][C][C][Branch2][=Branch1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][Branch2][Ring2][=Branch1][C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=N][N][=C][Ring2][Ring1][P][Ring2][Ring2][Branch2][=N][N][Ring2][Ring2][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Branch1][N] |
CHEMBL4293479 | [F][C][=C][C][=C][Branch2][Ring2][#Branch2][C][Branch2][Ring1][Branch2][C][N][C][=N+1][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=N][Ring1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][F][=C][Ring2][Ring1][P].[Cl-1] |
CHEMBL4293561 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][P][O][C][=C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][S][Ring2][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][N][=O] |
CHEMBL4293562 | [C][O][C][=C][C][Branch1][Branch2][/C][=C][/C][Branch1][C][C][=O][=C][C][=C][Ring1][O][O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][Ring1][N] |
CHEMBL4293563 | [C][C][Branch1][C][C][C][C][=N][N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][=N][C][Branch2][#Branch2][Ring1][N][C@H1][C][C][C@H1][Branch2][=Branch2][=Branch1][N][C][=Branch1][C][=O][O][C][Branch2][=Branch1][C][C][C][=C][N][Branch2][Branch1][=Branch1][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][N][=N][Ring2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch1][C][C][Ring2][#Branch1][=Branch1][=N][C][=Ring2][Branch2][=C][Ring2][Branch2][O] |
CHEMBL4293564 | [C][C][C@H1][Branch1][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][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch2][=Branch1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4293565 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][O][C][C][O][C][C][O][C][C][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][S][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4293566 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][N][C][C] |
CHEMBL4293567 | [O][=C][Branch1][S][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][S][Ring1][Branch2][N][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][O] |
CHEMBL4293643 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][=N][O][C][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C] |
CHEMBL4293644 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Branch1][Ring1][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=N][/N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][F][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O][Ring2][Ring2][C] |
CHEMBL4293645 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C][C][C][S][C] |
CHEMBL4293646 | [C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C].[I-1] |
CHEMBL4293647 | [C][C][N][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring2][C] |
CHEMBL4293648 | [C][C][=C][C][=C][C][=Branch1][=C][=C][Ring1][=Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][C][C][C][Ring1][=N][Branch1][C][C][C] |
CHEMBL4293649 | [C][O][C][=C][C][=C][Branch2][Branch1][P][/C][=C][/C][=Branch1][C][=O][O][C][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][N][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4293735 | [C][C][Branch1][C][C][Branch1][C][C][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] |
CHEMBL4293736 | [C][C][C][C][C][C][C][C][C][C][N+1][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
CHEMBL4293737 | [C][C@@H1][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring1] |
CHEMBL4293738 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][S][C][N][C][Branch1][C][C][=O] |
CHEMBL4293739 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][Ring1][S][O][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4293740 | [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@][C][C@@H1][Branch1][C][C][C@][C][=C][Branch1][C][C][C@H1][Branch1][#C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][C][C][C@@][Ring1][=C][Branch1][C][O][C@H1][Branch1][C][O][C][Branch1][Ring1][C][O][=C][C@H1][Branch1][=Branch1][C][Ring2][Ring1][#Branch1][=O][C@@H1][Ring2][Ring1][=N][C][Ring2][Ring1][=C][Branch1][C][C][C] |
CHEMBL4293741 | [C][C][C][C][C][C][C][Ring1][=Branch1][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][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4293826 | [C][C][=C][C][Branch2][Ring1][Branch2][O][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][=N] |
CHEMBL4293827 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][Ring1][#Branch1][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][=C][NH1][N][=N][Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S] |
CHEMBL4293828 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][P][Ring1][#Branch1][=N][NH1][Ring2][Ring1][#Branch1] |
CHEMBL4293829 | [C][N][Branch1][C][C][C][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL4277800 | [O][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][Cl][Cl] |
CHEMBL4283369 | [O][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4288860 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][S][=O] |
CHEMBL4288861 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
CHEMBL4288862 | [O][=C][Branch2][Ring2][P][N][C][=Branch1][C][=Se][N][C][=C][C][=C][Branch2][Ring1][#C][Se][Se][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=Se][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=N][O][Ring1][Branch1] |
CHEMBL4288954 | [O][=C][N][C][=Branch1][C][=S][S][/C][Ring1][=Branch1][=C][\C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Ring1] |
CHEMBL4288955 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][=C][C][=C][N][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4288956 | [C][C][=C][C][=C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P][C] |
CHEMBL4288957 | [C][O][C][=C][C][=C][C][Branch2][Branch1][Ring1][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch1][S][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][=Branch1][S][=C][C][=Branch1][#Branch1][=C][Ring1][=Branch1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch1][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][S][O][C].[Br-1] |
CHEMBL4288958 | [N][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4288959 | [C][O][C][=C][C][=C][C][Branch2][Ring2][N][C][=N+1][C][=C][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=Branch1][#C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][P][C][C][Ring2][Ring1][Ring2][O][C][O][Ring1][#Branch2][=C][Ring2][Ring1][=C][O][C].[Br-1] |
CHEMBL4289042 | [C][C][=C][C][=C][Branch2][Ring2][=N][/N][=C][/N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=C][=C][/C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4289043 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][Ring2][C][=C][N][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] |
CHEMBL4289044 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][P] |
CHEMBL4289045 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Ring1][Branch1][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][C][=C][Ring2][Ring1][N][O][C] |
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