chembl_id
stringlengths
7
13
selfies
stringlengths
3
6.7k
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]