chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL17640
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL17641
|
[C][S][C][=C][C][=C][C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17642
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C]
|
CHEMBL17662
|
[O][=C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][=Branch2][O][C][C][=C][Branch1][C][Cl][Cl][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][=Branch1]
|
CHEMBL17664
|
[C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@H1][C][C][C@][Branch1][C][C][Branch2][Branch1][#Branch1][C@@H1][Branch1][C][O][C][C][C@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][O][C@@H1][Branch2][Ring1][Branch1][C@][Branch1][C][C][C][C][C@@H1][Branch1][C][Br][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch2][C][C][C@][Ring1][S][Branch1][C][C][O][Ring2][Ring1][Branch1][O][Ring2][Ring2][C]
|
CHEMBL17665
|
[C][N][C][C][N][Branch2][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][=C][Ring2][Ring1][#C][C][C][Ring2][Ring2][P]
|
CHEMBL17666
|
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL17956
|
[C][C][=C][N][=C][Branch2][Ring2][=Branch2][N][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2][S][Ring2][Ring1][N]
|
CHEMBL17957
|
[C][C][Branch1][C][C][O][C][C@@H1][Branch1][O][C][/C][=C][\C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring2][Ring1][Ring2]
|
CHEMBL17958
|
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL17959
|
[C][C][N][C][C][N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL18050
|
[C][C][C][C][=C][C][=C][O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][C][C][C][Ring1][#C][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL17986
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][O][C][C][O][C][=C][Ring1][N][C][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=C]
|
CHEMBL18076
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][O][/C][=N][/C][C][=C][N][Branch1][N][C][C][S][C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=Branch1][C][=O][N][=Ring1][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL18077
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1].[Na+1]
|
CHEMBL18078
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2][Cl]
|
CHEMBL18079
|
[C][C][C][C][C][Branch1][C][C][N][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17643
|
[N][C][C@@H1][C][N][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][Ring1][O]
|
CHEMBL17644
|
[C][C][Branch1][C][C][C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL17731
|
[C][C][=N][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL17732
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17733
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL17750
|
[O][=N][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N+1][Branch1][C][O-1][=C][Ring1][#Branch1]
|
CHEMBL17751
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL17752
|
[C][N][C][C][=C][C][=C][Branch2][Ring2][#Branch2][C@H1][C][C@H1][Branch2][Ring1][#C][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C@H1][Ring1][Branch2][C@H1][Ring1][=C][C][C][N][Ring2][Ring1][Branch1][O][Ring2][Ring1][#Branch2]
|
CHEMBL17753
|
[C][C][C][=Branch1][C][=O][O][C][C][C][N][C][Ring1][Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][Ring1][O][=O]
|
CHEMBL17754
|
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][O]
|
CHEMBL17755
|
[N][C][=Branch1][C][=S][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N]
|
CHEMBL18051
|
[C][O][/N][=C][Branch1][Ring1][/C][#N][C][=C][C][C][N][Branch1][C][C][C][Ring1][#Branch1]
|
CHEMBL18052
|
[C][O][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][P][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][=C][N][Ring1][#Branch2][C][C][C][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][N][=O]
|
CHEMBL18053
|
[C][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][C][C][C][C][Branch1][C][O][C][Ring2][Ring1][#Branch1]
|
CHEMBL18054
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][=N][\O]
|
CHEMBL18055
|
[N][=C][Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2]
|
CHEMBL18056
|
[C][C][C][C][C][C][Branch1][Ring1][C][#N][O][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18080
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
|
CHEMBL18167
|
[C][C][=N][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL18168
|
[C][C][=N][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL18169
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][P][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][O][C][Branch1][C][N][=O][C][Ring2][Ring1][C][=O]
|
CHEMBL18170
|
[C][C][Branch1][C][C][O][C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Ring1][#C][=O]
|
CHEMBL17815
|
[C][C][C][C][=C][C][Branch1][C][Cl][=C][O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][C][C][C][Ring1][#C][=C][Ring2][Ring1][Ring2][O]
|
CHEMBL17816
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][O][N][C][=C][C][=C][C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL17818
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][C]
|
CHEMBL17819
|
[C][C][N][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1][N][Branch1][C][C][N][=Ring2][Ring1][Ring1]
|
CHEMBL17495
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL17496
|
[O][=C][Branch2][Ring2][Branch2][O][C@H1][C][C][C@H1][Branch2][Ring1][O][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P][C][C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17497
|
[C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]
|
CHEMBL17498
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][O][C][Branch1][Ring1][C][O][C][O][C][=C][Ring1][=C][C][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][=C]
|
CHEMBL18209
|
[C][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][Branch1][O][C][C][O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][Ring2][O][C][C][=C][Ring1][N][O][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=C]
|
CHEMBL18210
|
[C][N][C][=N][C][=C][Branch2][Ring1][Branch1][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=N]
|
CHEMBL18324
|
[C][C][Branch1][C][C][O][C][C@@H1][Branch1][O][C][/C][=C][\C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][O][Ring2][Ring1][Branch1]
|
CHEMBL18325
|
[C][C][Branch1][C][C][O][C][C@@H1][Branch1][O][C][/C][=C][\C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][O][Ring2][Ring1][Branch1]
|
CHEMBL18328
|
[C][C][C][C][S+1][Branch1][C][O-1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL18330
|
[C][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][=C][Ring2][Ring1][C][O][C][Ring2][Ring1][#C][=C][Ring2][Ring2][=Branch2]
|
CHEMBL18405
|
[C][=C][C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][N][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][S]
|
CHEMBL18407
|
[C][C][C][C][C][C][C][C][=O]
|
CHEMBL3310307
|
[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL18346
|
[O][=C][Branch1][C][O][C][C][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F]
|
CHEMBL18347
|
[C][O][C][=C][C][=C][Branch2][Ring2][=C][C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=Ring1][O][O][C][=C][Ring2][Ring1][S]
|
CHEMBL18430
|
[C][N][C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C]
|
CHEMBL4543436
|
[C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][C][N]
|
CHEMBL4543437
|
[C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch2][S][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch2][#Branch2][#Branch1][C][S][S][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch2][P][=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][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring2][#Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][Ring2][O][S][=O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][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][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][#C][Ring2]
|
CHEMBL18431
|
[C][C][C][C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][O][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL18194
|
[C][N][C][C][=C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N]
|
CHEMBL18195
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch2][Ring1][=Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][=O]
|
CHEMBL18196
|
[C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][Ring1][#C][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]
|
CHEMBL18197
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL18198
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O].[Na+1]
|
CHEMBL18126
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][N][C][C][=C][C][=C][O][Ring1][Branch1].[K+1]
|
CHEMBL17843
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
|
CHEMBL4543444
|
[C][C][N][C][C][C][=C][C][=C][Branch1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][Ring1][N][Ring1][#C]
|
CHEMBL4543445
|
[C][N][Branch1][C][C][C][C][C][C][=C][C][=C][C][=Branch2][#Branch1][N][=C][Branch2][Branch1][O][N][C][C][C][N][C][=C][Branch2][Ring2][N][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][N][=N][Ring2][Ring1][=C][C][=C][C][Ring2][Ring2][Branch2][=C][Ring2][Ring2][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][Ring1][=N][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][Ring2][Branch1][#C][=O]
|
CHEMBL17844
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][O]
|
CHEMBL3310182
|
[C][O][C][=C][C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C@@H1][N][C@@H1][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C@@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C@H1][Ring2][Ring1][Ring2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][=C][C][=C][Ring2][Ring2][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL18408
|
[C][N][C][=Branch1][C][=O][O][C][C][C][N][C][=C][Branch1][S][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][=C][Ring1][#Branch2][Ring1][=N][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][=C][Branch1][C][C][C][Ring1][P][=O]
|
CHEMBL18409
|
[C][S][C][C][C@H1][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][C][C][C][C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O]
|
CHEMBL18410
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring1][=N]
|
CHEMBL18555
|
[N][C][C][C][=C][NH1][C][=N][Ring1][Branch1].[N][C@@H1][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL18556
|
[N][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][C][C][C][Ring1][#C]
|
CHEMBL18432
|
[C][C][=C][N+1][Branch1][Ring2][C][C][O][=C][C][=C][Ring1][=Branch2][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1].[Cl-1]
|
CHEMBL18433
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=N][S][=C][Ring1][Branch2]
|
CHEMBL18434
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL1163494
|
[C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL18518
|
[C][=C][C][=C][Branch1][=Branch2][C][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch2][Ring1][=C][C][O][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][S]
|
CHEMBL17914
|
[C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17915
|
[C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][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@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][N][C][Ring1][=Branch1][=O]
|
CHEMBL17916
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=N][S][N][=C][Ring1][Branch1][N][Branch1][Ring2][C][C][O][C][C][=Branch1][C][=O][O]
|
CHEMBL17917
|
[C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][=C][S][C@@H1][C][N][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][N][C][=C][Ring1][#Branch2][C][Ring1][#C][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]
|
CHEMBL17918
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][F][NH1][C][=Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][O]
|
CHEMBL17845
|
[N][C][=N][C][Branch2][Branch1][#Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][=C][NH1][Ring2][Ring2][Ring2]
|
CHEMBL17847
|
[C][C][N][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][Branch2][Ring1][N][O][C][C][=C][C][=C][Branch1][S][C][N+1][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2][C][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring2][Branch1][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2].[Cl-1]
|
CHEMBL17848
|
[C][O][C][C][=Branch1][C][=O][C][C][C][N][C][Ring1][Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][=Branch1][N][C][C][Ring1][Ring1][C][Ring1][O][=O]
|
CHEMBL17937
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring2][N][C][=C][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18441
|
[C][=C][Branch1][C][C][C@][C][C@@H1][Branch1][C][C][C@@][O][C@][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Branch1][Branch2][O][C@@H1][Ring1][S][C@@H1][Ring1][=N][C][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][I][C][C@][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@H1][Ring1][Branch2][Ring2][Ring2][#Branch1][O][Ring2][Ring2][N]
|
CHEMBL18557
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@][C][C][C][C][C@H1][Ring1][=Branch1][C@@H1][Branch1][Ring2][C][Ring1][O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][#C]
|
CHEMBL18559
|
[C][C][C][C][=C][C][Branch1][C][Cl][=C][O][C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][Branch1][C][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1][O]
|
CHEMBL18239
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]
|
CHEMBL3310308
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=N][/N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL1178061
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][C][C][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL4543469
|
[C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][N][=C][Ring1][S]
|
CHEMBL4543470
|
[C][C][Branch1][C][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][N][C][Ring1][=Branch1][=N][N][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C]
|
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