chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL8896 | [C][=C][C][S][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL8898 | [C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O].[Br-1].[Br-1] |
CHEMBL8903 | [O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl] |
CHEMBL8825 | [O][=C][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL8921 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][N] |
CHEMBL8922 | [C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL8943 | [O][=C][Branch2][Ring2][Ring2][C][C@@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][O][N][O] |
CHEMBL8944 | [C][C][C][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][Branch1] |
CHEMBL8946 | [C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring2][O] |
CHEMBL8947 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL8948 | [C][N][N][=N][N][=C][Ring1][Branch1][C][Branch2][Ring1][C][C][C][C][Branch1][C][O][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[Na+1] |
CHEMBL8965 | [C][C][C@H1][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][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@@H1][Branch1][Ring2][C][C][=O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C@][Branch1][C][C][O][C@H1][Ring1][Ring2][C@@H1][Ring2][Ring2][=Branch1][C] |
CHEMBL8966 | [C][C][O][C][=Branch1][C][=O][C][N][=C][C][Branch1][C][N][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][N][=Ring1][#C] |
CHEMBL8967 | [C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] |
CHEMBL8968 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CHEMBL8972 | [C][=C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O] |
CHEMBL9124 | [C][C][C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][Branch1] |
CHEMBL8991 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL8992 | [O][=C][Branch1][C][O][C][=N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring1][=C] |
CHEMBL8995 | [O][=C][Branch1][C][O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL8923 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][N][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL9012 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C@@H1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][Ring1][P][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL14758 | [C][C][=C][C@H1][C][=Branch1][C][=O][O][C@H1][C][C@@H1][Branch2][Ring2][Ring2][C][/C][=C][Branch1][C][\C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][/C][=C][\C][O][C@H1][Branch1][=Branch1][C@@H1][Ring2][Ring1][=Branch2][O][C@@][Ring1][#Branch1][Ring2][Ring1][=Branch2][O][O][C@@][Branch2][Ring1][C][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][#Branch2][C][Ring2][Ring2][C] |
CHEMBL9035 | [C][O][C][=C][C][Branch2][Ring1][#C][C@@H1][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][C@@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][Ring1][=C][O][C][O][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4553547 | [C][O][C][C][N][C][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][S] |
CHEMBL4553548 | [O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Ring1][=Branch2][=N][Ring1][=N] |
CHEMBL4553549 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4553550 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C] |
CHEMBL4553551 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][S] |
CHEMBL9037 | [C][O][C][=Branch1][C][=O][C][=N][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][Ring1][#C] |
CHEMBL9038 | [N][C][Branch1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL9039 | [O][=C][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][Ring1][=C] |
CHEMBL8760 | [C][=C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O] |
CHEMBL17936 | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][Branch1][C][N][=O] |
CHEMBL9125 | [C][N][C][C][C][Branch2][Ring2][Ring2][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Ring2][Ring1][Ring2][=Ring1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][O] |
CHEMBL9126 | [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL9127 | [C][C][O][N][=C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][S][Ring2][Ring1][=N] |
CHEMBL9128 | [C][C][O][C][=Branch1][C][=O][C][N][=C][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][N][=Ring1][#C] |
CHEMBL8781 | [C][C@@][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][=N][=O][C][C][C][=Branch1][C][=O][N][C][Ring2][Ring1][Branch1][=O] |
CHEMBL9084 | [C][O][C][=C][C][=C][Branch2][Ring2][P][C@@H1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][Ring1][P][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][C] |
CHEMBL9085 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL9086 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#C][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL9014 | [C][C][#C][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL9015 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL9016 | [C][C][C][C][/C][=C][Branch1][C][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2] |
CHEMBL9017 | [C][N+1][Branch1][C][C][Branch2][Ring2][N][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=C][=O].[Br-1].[Br-1] |
CHEMBL8761 | [C][C][C][C][C@@H1][Branch2][Branch1][O][C][C@@H1][Branch2][Ring1][S][C][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][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL463 | [N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N] |
CHEMBL8762 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][C][C][C][C][C][C][=C][C][C][Branch1][C][O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C] |
CHEMBL8763 | [C][N+1][Branch1][C][C][Branch2][Ring2][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O].[Br-1].[Br-1] |
CHEMBL8764 | [C][N+1][Branch1][C][C][Branch2][Branch1][Branch1][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Ring1][S][C][Ring2][Ring1][Ring2][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O].[Br-1].[Br-1] |
CHEMBL8765 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][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][O][C][=Branch1][C][=O][O] |
CHEMBL8782 | [C][O][C][C][O][C][C][O][C][C][N][C][C][C][C][Ring1][Branch1][C][O][C][C][O][C][C][O][C] |
CHEMBL8783 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][Ring1] |
CHEMBL8784 | [O][=C][Branch1][O][C][C][C][C][C][C][C][C][C][Br][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O] |
CHEMBL8785 | [C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O] |
CHEMBL8786 | [O][=C][Branch1][C][O][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] |
CHEMBL8879 | [O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Branch1][C][Br][=C][Branch1][C][Br][S][Ring1][#Branch1] |
CHEMBL9087 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL57 | [C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][N][C][C][C][Ring1][Ring1] |
CHEMBL8806 | [C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL8807 | [C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][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][O][C][=Branch1][C][=O][O] |
CHEMBL8809 | [C][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][O][C] |
CHEMBL9109 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring2][#C][N][P][=Branch1][C][=O][Branch2][Ring1][=C][O][C][C][O][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C][Ring1][=C][N][=N+1][=N-1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL9110 | [O][=C][Branch2][Ring2][=N][N][C][=C][C][=C][Branch2][Ring1][S][C][C@H1][Branch2][Ring1][=Branch1][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl] |
CHEMBL8827 | [C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C] |
CHEMBL8828 | [C][C][C][C][C@@H1][Branch2][Branch1][Ring1][C][C@@H1][Branch2][Ring1][Branch2][C][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL8851 | [C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][S][C][Ring2][Ring2][Ring2] |
CHEMBL8853 | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL8854 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][=Branch1] |
CHEMBL8855 | [C][N+1][Branch1][C][C][Branch2][Ring2][Branch2][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][Ring1][N][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][Ring1][N][=O].[Br-1].[Br-1] |
CHEMBL8856 | [C][C][C@H1][O][C][=Branch1][C][=O][C][C][Branch1][C][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@@H1][Branch1][S][C][C][N][C][C][Branch1][C][O][C][C][C][C][Ring1][#Branch1][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][=N][C] |
CHEMBL8858 | [C][C][N][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][S][Ring2][Ring2][=Branch1][=Branch1][C][=O][=O][O][C][C][O][Ring1][O] |
CHEMBL8880 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1] |
CHEMBL8883 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][S][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL8973 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring1][#C][O][C@@H1][C][C@@H1][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring2][Branch2] |
CHEMBL1163254 | [C][C][C@H1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][N][Ring2][Ring1][Ring2] |
CHEMBL8810 | [C][C][C][C][N][C][=Branch1][C][=O][NH1][C][NH1][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][=N][C][=Ring2][Ring1][Branch2][C][Ring2][Ring1][=N][=O] |
CHEMBL8905 | [C][C][=C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][N][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][=C][Ring2][Ring1][N] |
CHEMBL8906 | [C][C][C][/N][=C][\C][Branch1][C][O][=C][Branch1][C][O][\C][Ring1][=Branch1][=N][/C@@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][=C][C][=Branch1][C][=O][O] |
CHEMBL8907 | [C][C][O][C][=Branch1][C][=O][C][N][=C][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][Ring1][#C][N][=Ring2][Ring1][C] |
CHEMBL8908 | [C][O][C][C][O][C][C][O][C][C][C][C][C][N][Ring1][Branch1][C] |
CHEMBL8829 | [O][=C][C][C][=C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][=C][Branch1][C][O][N][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][S][Ring1][Branch2][C][=Ring2][Ring1][#Branch1] |
CHEMBL8830 | [O][=C][Branch1][O][C][C][C][C][C][C][C][C][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][=O] |
CHEMBL8831 | [C][=C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=C][C][Ring1][S][Ring1][N] |
CHEMBL8925 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Ring1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL8926 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][/C][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O] |
CHEMBL8949 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL8950 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][#C][N][/C][Branch1][C][S][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] |
CHEMBL8951 | [C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL8952 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] |
CHEMBL8953 | [C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] |
CHEMBL438554 | [C][O][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][Branch2][Ring2][#Branch1][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1][Cl][=C][Branch1][C][O][C][=Branch1][Branch1][=C][Ring2][Ring1][#C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][Ring2][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Ring2][Branch1][S][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch1][C][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][O] |
CHEMBL8974 | [C][=C][=C][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL8976 | [C][C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][Branch1] |
CHEMBL1163255 | [C][C][C][C][C@@H1][N][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][C] |
CHEMBL1163251 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring2][C] |
CHEMBL3309262 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch2][#Branch1][O][C][N][C][C][N][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][O][C][C][Ring2][Ring2][P][=C][Ring2][Branch1][#C] |
CHEMBL8910 | [O][=C][Branch1][C][O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] |
CHEMBL8996 | [O][=C][C][C@@H1][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][Ring2][Ring1][Ring2] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.