chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL563
|
[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N]
|
CHEMBL15477
|
[C][=C][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Ring1][Branch2]
|
CHEMBL15553
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=C][Ring2][Ring1][=Branch1]
|
CHEMBL15554
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL15246
|
[C][C][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][C][Branch1][C][O][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][S][=C][Ring2][Ring1][=Branch1]
|
CHEMBL15247
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][Branch2][C][=C][Branch1][C][F][C][Branch1][C][N][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][F][C][Ring2][Ring1][=Branch2]
|
CHEMBL15248
|
[C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15249
|
[C][C][C][C][C][N][Branch1][=Branch1][C][C][C][C][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][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@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL14985
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][O].[O][C][=C][C][=C][Branch1][=Branch2][C][C][C][N][C][=N][Ring1][Branch1][C][=C][Ring1][N][O]
|
CHEMBL15434
|
[C][=C][Branch2][Ring1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15511
|
[C][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL15512
|
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C]
|
CHEMBL555
|
[N][C@H1][Branch2][Ring1][=C][C][C][=C][C][Branch1][C][I][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][I][=C][Ring1][S][C][=Branch1][C][=O][O]
|
CHEMBL15455
|
[C][C][C][C][=C][C][=C][Branch2][Ring1][P][O][C][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N]
|
CHEMBL15456
|
[C][N][C][=Branch1][C][=O][S][C][=C][C][Branch2][Ring1][=C][C][C][C][C][N][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][=N]
|
CHEMBL15457
|
[C][N+1][=C][C][=C][Branch2][Branch1][=Branch2][S][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][/C][=Branch1][#Branch2][=N][/O][C][C][C][C][C][Ring1][Branch1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C@H1][Ring2][Ring1][=Branch1][C][O][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Branch1].[O][=S][=Branch1][C][=O][Branch1][C][O-1][O]
|
CHEMBL15458
|
[C][C][O][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][Ring1][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring2][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15531
|
[C][C][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][N][Ring2][Ring1][Branch2]
|
CHEMBL15555
|
[C][C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O]
|
CHEMBL15556
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][#C][Ring2][Ring1][#Branch1]
|
CHEMBL15557
|
[N][C@H1][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]
|
CHEMBL15558
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch2]
|
CHEMBL15645
|
[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14986
|
[Cl].[O][C][=C][C][=C][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][O]
|
CHEMBL14987
|
[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][N][C@H1][C][C][C@@H1][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][N][O][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL14988
|
[C][O][C][=C][C][=C][Branch2][Branch1][Branch2][N][Branch2][Ring2][#C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2][C][Branch1][C][C][C][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL15075
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][/C][=Branch1][Ring1][=N][\O][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][Br]
|
CHEMBL15076
|
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][C@@][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch2][C][=C][Branch1][Ring1][C][O][C][C@][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@@H1][Ring1][S][Ring1][Branch2][C@@H1][C][Branch1][C][C][Branch1][C][C][C@][Ring2][Ring1][Branch2][Ring1][Branch1][O][C][Branch1][C][C][=O]
|
CHEMBL15077
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][=C][O][C][C][C][Ring1][=Branch1]
|
CHEMBL15513
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch2][S][C][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1].[Na+1]
|
CHEMBL15606
|
[C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C]
|
CHEMBL15607
|
[C][N][Branch1][C][C][C][C][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL15608
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][S][Ring2][Ring1][Branch2]
|
CHEMBL3310099
|
[O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S]
|
CHEMBL15532
|
[C][O][C][=C][Branch1][N][N][C][C][C][Branch1][Ring1][C][N][C][Ring1][#Branch1][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch2][=Ring1][=N]
|
CHEMBL15533
|
[C][C][C][C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15534
|
[C][O][/N][=C][Branch2][Ring2][=N][/C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][=C][C][S][C][=C][C][=N+1][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][C@H1][Ring2][Ring1][Branch1][Ring2][Ring1][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1].[O][=S][=Branch1][C][=O][Branch1][C][O-1][O]
|
CHEMBL3310104
|
[C][C][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring2][Ring1][C]
|
CHEMBL15646
|
[C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][N][C][C][N][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][C@@][Branch1][C][O][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@@][Ring1][S][Ring2][Ring1][Ring2][C][C][C][Ring2][Ring1][=C][=N][Ring2][Ring2][Ring2]
|
CHEMBL15648
|
[C][C][C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][C][=C][C][=C][Ring2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][O]
|
CHEMBL556
|
[C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N]
|
CHEMBL15078
|
[C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][O][C][C][C][Ring1][N]
|
CHEMBL15079
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
CHEMBL15080
|
[C][=C][C][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][O][C][Ring1][Branch2][=O]
|
CHEMBL15081
|
[C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N]
|
CHEMBL15157
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch1]
|
CHEMBL15158
|
[C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL110
|
[O][=C][Branch1][=C][C][N][C][=C][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15350
|
[C][C][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL15351
|
[O][=C][Branch1][#C][C][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15352
|
[C][C][Branch1][C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch2]
|
CHEMBL3310100
|
[O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][#C]
|
CHEMBL15622
|
[C][C][O][C][=C][Branch1][C][I][C][=C][Branch1][O][C][C@@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][Ring1][=N][I]
|
CHEMBL15623
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][#C][N][C][C][Branch1][C][C][N][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][C][Cl][=C][Ring1][S][Ring2][Ring1][Branch2]
|
CHEMBL15624
|
[C][C][S][C][=C][Branch1][Branch1][C][=Ring1][Branch1][Br][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][Ring1][S]
|
CHEMBL15625
|
[C][C][N+1][=Branch1][C][=O][O-1]
|
CHEMBL15626
|
[C][C][Branch1][C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][N][C][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Ring2]
|
CHEMBL15371
|
[C][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][Branch1][C][C][C][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL3310105
|
[O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL15920
|
[O][=C][Branch2][Ring1][=N][N][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][S]
|
CHEMBL15921
|
[C][O][C][=C][C][=C][C][=C][NH1][N][=C][Ring1][=Branch2][Ring1][Branch1]
|
CHEMBL16005
|
[C][N][Branch1][C][C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C]
|
CHEMBL16007
|
[O][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][S][Ring1][N]
|
CHEMBL16008
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][S][Ring1][N]
|
CHEMBL15940
|
[C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][C][=N][Ring1][Branch1]
|
CHEMBL15941
|
[C][N][C][=Branch1][C][=O][S][C][=C][C][Branch2][Ring1][Branch2][C][C][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][O]
|
CHEMBL15942
|
[C][O][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL15944
|
[C][S][C][=N][S][N][=C][Ring1][Branch1][C][=C][C][C][N][Branch1][C][C][C][Ring1][#Branch1]
|
CHEMBL16031
|
[C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#C]
|
CHEMBL15331
|
[C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL15332
|
[C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Branch1][C][C][=O]
|
CHEMBL15333
|
[C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O]
|
CHEMBL15416
|
[N][C][C][C][N][Branch2][Ring2][N][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][O]
|
CHEMBL15417
|
[C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch2]
|
CHEMBL15695
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
|
CHEMBL15696
|
[C][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C]
|
CHEMBL15698
|
[C][=N][C][=N][C][=N][Ring1][=Branch1]
|
CHEMBL15699
|
[C][O][C][=C][C][Branch2][Ring1][N][C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL15700
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3310301
|
[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][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]
|
CHEMBL16010
|
[O][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring2][C][Ring2][Ring1][=Branch2]
|
CHEMBL15721
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Ring2][/C][=N][/O][O][Ring1][Branch2]
|
CHEMBL15722
|
[C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL15723
|
[O][=C][Branch2][Ring1][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][N][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL16032
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=C][S][Ring2][Ring1][C]
|
CHEMBL16035
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL16037
|
[C][C][Branch1][C][C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15418
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL15419
|
[C][C][Branch2][Branch1][Ring2][C][S][C][Branch1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL4543481
|
[C][C][=C][C][=C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][C][Ring1][S][=Ring1][N]
|
CHEMBL15496
|
[C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][N][Branch2][Ring1][#Branch1][C][Branch1][N][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL15497
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=N][N+1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][N]
|
CHEMBL15701
|
[N][C@@H1][Branch2][Ring1][P][C][C][=C][C][Branch1][C][I][=C][Branch1][#C][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][I][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O]
|
CHEMBL15793
|
[C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][Ring1][C][C][C][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL15794
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1][Ring1][#C]
|
CHEMBL15795
|
[C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][Cl].[Br-1]
|
CHEMBL15796
|
[C][C][C][C][C][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][S]
|
CHEMBL15724
|
[O][=C][Branch2][Ring1][=C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][N][N][C][=N][N][=C][Ring1][Branch1]
|
CHEMBL15725
|
[O][C][=C][C][=C][C][Branch1][P][C][C][N][C][C][S][C][Branch1][C][Cl][=C][C][=Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][S]
|
CHEMBL15815
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1]
|
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