chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4203282 | [C][C][=C][N][Branch2][Ring2][#C][C@H1][C][=C][C@@H1][Branch2][Ring2][Ring2][C][O][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][N][=N+1][=N-1][O][Ring2][Ring1][N][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][Ring1][=O] |
CHEMBL4203389 | [C][C][C@@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][O][C@@H1][Branch1][O][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][O-1][C][C][C@@H1][Ring1][N][C][C@H1][O][C@][Branch2][Branch1][O][C][=C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=... |
CHEMBL4203390 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C@@H1][O][C@@H1][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C@@H1][Branch1][C][C][C@H1][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1][O] |
CHEMBL4203391 | [C][O][C][=C][C][=C][C][=C][Branch1][P][C][=N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4203392 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][=N][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring1][P][=N][Ring2][Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S] |
CHEMBL4203473 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4203474 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][N][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][N][=Ring1][=C][=N][O][Ring2][Ring1][Ring1] |
CHEMBL4203475 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][=C][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4203476 | [C][C][Branch1][C][C][=C][C][C][=C][C][Branch2][Ring1][#C][C][O][C][=C][Branch1][P][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][P][O][=C][C][=C][Ring2][Ring1][Branch2][O] |
CHEMBL4203477 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch2][#Branch1][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Br... |
CHEMBL4203478 | [C][C][=C][C][=C][N][=C][Branch2][Ring2][S][S][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring1][NH1][C][=Branch1][C][=O][C... |
CHEMBL4203578 | [C][C][=C][C][Branch2][Ring2][Branch2][C][N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][C][=C][Branch1][#Branch2][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=C][Branch1][C][Cl][C][=C][Ring1][=C][Ring2][Ring1][#Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][#C][F] |
CHEMBL4203579 | [C][C][=C][C][Branch1][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][N][C][=C][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4203580 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL4203581 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][O][C][C][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4203666 | [C][C@][C][C][C][C@][Branch1][#Branch1][C][O][C][Ring1][Branch2][=O][C@@H1][Ring1][#Branch2][C][C][C@@][C][C@@H1][Branch1][Branch2][C][C][C@H1][Ring1][=Branch1][Ring1][=C][C@][Branch1][C][C][Branch1][C][O][C][Ring1][#Branch2] |
CHEMBL4203667 | [O][C][=C][C][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] |
CHEMBL4203668 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][O][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL4203669 | [C][O][C][=C][C][=C][Branch2][Branch1][S][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring2][O][O][C@@H1][O][C@H1][Branch1][O][C][O][SH1+1][Branch1][C][O-1][Branch1][C][O][O][C@@H1][Branch1][#Branch2][O][SH1+1][Branch1][C][O-1][Branch1][C][O][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][C][N][C][Branch1][C]... |
CHEMBL4203670 | [C][C][=C][N][C][=Branch1][C][=O][NH1][N][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][C][Branch1][P][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][C][Ring1][S] |
CHEMBL4203768 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][O][C][C] |
CHEMBL4203769 | [C][O][C][=C][C][=C][Branch2][=Branch1][Branch2][C][=N][C][Branch2][Ring2][=C][C][N][C][C][C][C][N][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][#Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1][=C][C][C][=C][C][=C][C][=C]... |
CHEMBL4203771 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C@@H1][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][F][F][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4203772 | [O][=C][Branch2][Ring1][Branch1][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4203773 | [F][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][Cl] |
CHEMBL4203867 | [O][=C][Branch1][O][N][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4203868 | [C][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][Ring1][=C] |
CHEMBL4203869 | [C][C@H1][C@H1][C@H1][Branch2][Branch1][#Branch2][C][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][C@][Ring2][Ring1][C][Branch1][C][C][C@H1][Ring2][Ring1][#Branch1][C][C][=Branch1][C][=O][C@@][... |
CHEMBL4203870 | [O][=C][Branch2][=Branch1][Branch1][O][C][C@H1][O][C@@H1][Branch2][Ring1][N][N][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][N][=N][Ring1][S][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][=C][O][C][=Branch1... |
CHEMBL4203871 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1] |
CHEMBL4203872 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][N][C][C][C][N][Branch2][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4203873 | [C][C][=C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring2][S][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C@H1][O][C@][Ring1][Ring1][C@@H1][Branch1][C][O][C@H1][O][C@H1][Ring1][Ring1][C][=Branch1][C][=O][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][Ring1][Ring2... |
CHEMBL4203963 | [O][C][Branch2][Ring1][Ring2][C][N][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch2][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4203964 | [C][O][C][=C][C][Branch2][Ring1][O][C][=C][C][C][=C][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C].[Na+1].[Na+1] |
CHEMBL4203965 | [O][=P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Rin... |
CHEMBL4203966 | [C][N][C][C][C][Branch2][Branch1][Branch1][C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O][C][C][Ring2][Ring2][Ring1] |
CHEMBL4203967 | [C][=C][Branch1][C][C][C][Branch1][C][O][C][C][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][N][=C][Ring1][P][O] |
CHEMBL4203968 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][S].[Na+1] |
CHEMBL4204052 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][N][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4204053 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] |
CHEMBL4204054 | [C][C][C][C][N][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1].[Cl] |
CHEMBL4204055 | [C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][C][=C][C][=Branch1][C][=S][S][S][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4204056 | [C][C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][Ring1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][N][C][=C][Ring1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=C][C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branc... |
CHEMBL4204152 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][#C] |
CHEMBL4204153 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4204154 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][Ring1][=Branch1][O][C][=C][C][Branch1][C][F][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=N][S][Ring1][Branch1][C][=C][Ring1][S][F] |
CHEMBL4204156 | [C][C][=C][C][=C][Branch2][Branch2][#Branch1][C][Branch2][Branch1][C][C][=C][NH1][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][N][C][=Branch1][C][=S][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][#B... |
CHEMBL4204157 | [I][C][=C][C][=C][Branch1][S][N][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][=C][Ring1][P] |
CHEMBL4204251 | [C][C][=C][NH1][C][=N][C][=N][C][Branch2][Ring1][#Branch1][O][C@H1][C][C][C@H1][Branch1][N][N][C][C@H1][C][C@@H1][Ring1][Branch1][C][O][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2] |
CHEMBL4204252 | [C][C][Branch1][C][C][Branch1][C][F][C][N][C][C][C][Branch2][Ring2][Branch1][C][=N][C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][Branch1][=N][/C][=C][\C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][F][=C][S][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N] |
CHEMBL4204253 | [O][=C][Branch2][Ring1][=Branch2][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][N][C][=C][C][=C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][O] |
CHEMBL4204254 | [C][C][=C][Branch2][Ring2][#Branch1][C][N][C][C][C][Branch2][Ring1][#Branch2][N][C][=N][C][=N][C][S][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][=C][C][Ring1][=C][=Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][N][C][=C][Branch1][Ring1][C][#N][N][Ring1][#Branch1][C][C][N][C][... |
CHEMBL4204341 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C][C] |
CHEMBL4204342 | [C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][N] |
CHEMBL4204343 | [C][C][Branch1][C][C][N][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][O] |
CHEMBL4204344 | [C][C][C@][Branch1][C][O][C][=Branch1][C][=O][O][C@@H1][C@@H1][O][C@][Ring1][Ring1][Branch1][C][C][C][C][/C][=C][Branch1][C][\C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][P][Ring2][Ring1][=Branch1] |
CHEMBL4204345 | [C][C][#C][C@@H1][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=C][O][C][C][=C][C][Branch1][C][F][=C][S][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4204346 | [C][O][C][C@H1][Branch1][C][C][O][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][C][=C][Ring1][N][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][N][C][C][=C][NH1][C][=Branch1][C][=O][C][=Rin... |
CHEMBL4204347 | [C][O][C][=C][C][Branch2][Ring1][N][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring1][P][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C]... |
CHEMBL4204440 | [N][#C][C][/N][=N][/N][C][NH1][C][=N][C][=Ring1][Branch1][C][Branch1][C][N][=O] |
CHEMBL4204441 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][/C][Ring1][=Branch2][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N] |
CHEMBL4204442 | [N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#C][F] |
CHEMBL4204443 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4204541 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][C][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][=C][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4204542 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4204543 | [O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][/C][=N][/C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4204544 | [N][C][=N][C][C][Branch1][C][I][=C][Branch2][Ring2][Ring1][C][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][NH1][C][=Ring2][Ring1][#Branch2][C][=Branch1][C][=O][NH1][Ring2][Ring1][#C] |
CHEMBL4204545 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Branch1][C][C][=O][C][Bran... |
CHEMBL4204625 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][#Branch1][C][C][=C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][N][Ring1][#Branch2][C][=Ring1][=C][=C][N][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4204626 | [O][=C][Branch2][Ring1][=C][N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][N][Ring1][S][Ring1][Branch2][C][=C][C][=C][Branch1][Branch1][O][C][C][F][C][=C][Ring1][#Branch2] |
CHEMBL4204627 | [O][=C][N][C][=Branch1][C][=S][S][/C][Ring1][=Branch1][=C][\C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] |
CHEMBL4204628 | [C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][=C][Ring2][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][N] |
CHEMBL4204718 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][=N][N][Ring1][P][Ring1][=C][=C][Ring2][Ring1][N] |
CHEMBL4204719 | [C][C][N][C][=C][Branch2][Branch1][Branch2][N][C][=N][C][Branch1][C][N][=C][C][Branch2][Ring2][Branch2][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Branch1][C][F][=C][Ring1][#Branch2][C][Ring1][=C][=O][=C][Ring2][Ring1][Branch1][C][O][=N][Ring2][Ring1]... |
CHEMBL4204720 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][N] |
CHEMBL4204721 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1] |
CHEMBL4204722 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Ring1][Branch2] |
CHEMBL4204809 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][/C][Ring1][#Branch2][=C][/C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4204810 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4204811 | [N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch2][Ring1][=N][N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=N][Ring1][#C][=C][Ring2][Ring1][Branch2][O... |
CHEMBL4204812 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][Branch1][C][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring2][Ring1][=C] |
CHEMBL4204813 | [C][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] |
CHEMBL4204814 | [C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Br][/C][=Branch1][Branch2][=N][/N][C][Branch1][C][N][=S][C][=Branch1][C][=O][N][Ring1][=N] |
CHEMBL4204815 | [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring2][Branch1][=C][\C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][C][=C][Ring2][Ring1][Branch1][S][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch... |
CHEMBL4204892 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][Cl] |
CHEMBL4204893 | [Cl][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1] |
CHEMBL4204894 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch2][#... |
CHEMBL4204895 | [C][S][C][=C][C][Branch2][Ring1][Ring1][O][C][=C][C][=N][C][NH1][C][=Branch1][C][=O][C][=N][C][Ring1][O][=Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4204896 | [O][=C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][Ring2][N][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4204897 | [C][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=C][Ring1][O][C@@H1][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C][C][C@@][Ring2][Ring1][=C][Ring2][Ring2][C][C] |
CHEMBL4204898 | [C][C][=Branch1][C][=O][O][C@H1][Branch1][=C][C@@H1][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1][C@@H1][Branch1][C][C][C][C@@H1][C@@][Branch1][C][O][O][C@@][Branch1][=Branch2][C][C][C@][Ring1][=Branch2][Ring1][Branch2][C][C][Branch1][C][O][C@][O][C][=Branch1][C][=O][C][C@H1][Ring1][=Branch1][O][C][Bra... |
CHEMBL4204899 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] |
CHEMBL4204995 | [C][#C][C][O][C@@H1][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C@@H1][Ring1][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4204996 | [C][C][C][C][C][C@][Branch1][C][C][Branch1][C][O][C][/C][=C][/C@H1][C][C][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][S][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][S][Ring1][Branch2] |
CHEMBL4204997 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][C][C@H1][Branch2][Ring2][S][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][Cl][C@][Branch1][C][O][C@@H1][Branch1][C][O][C][=C][C][=Branch1][C][=O][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][Ring... |
CHEMBL4204998 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][C] |
CHEMBL4204999 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C@H1][Ring1][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][C][=C][Ring1][=N] |
CHEMBL4205000 | [C][C][C@@H1][C][C@@H1][Branch2][=Branch1][Branch2][C][C@@H1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][N][Ring1][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C... |
CHEMBL4205001 | [O][C][C@H1][O][C@@H1][Branch2][Branch1][Ring1][N][C][=N][C][=C][Branch2][Ring1][=C][N][C][C][N][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][N][=C][Branch1][C][Cl][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C@H1][Branch1... |
CHEMBL4205002 | [C][O][C][=C][C][Branch2][Branch1][O][C@@H1][C][=C][C][=C][Branch2][Ring2][=N][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch2][N][C][=N][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][S][Ring1][=C][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][=N][O][C][O][R... |
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