Datasets:
lhallee
/
LD50_selfies

Dataset card Viewer Files Community
labels
float64
0.29
10.2
seqs
stringlengths
6
382
1.687
[C][C][=N][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][S]
1.914
[C][C][C][=C][NH1][N][=Ring1][Branch1]
1.571
[C][C][C][C][Branch1][Ring1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2]
1.641
[C][C][C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
1.341
[C][C][C][C][=C][C][C][Ring1][=Branch1][C][=O]
2.594
[C][=C][C][O][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Ring1][C][C][Ring1][#Branch1][C]
0.818
[C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2]
2.147
[C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]
1.056
[C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
1.415
[C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C]
1.959
[C][C][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][N]
1.719
[C][C][C][C][C][C][C][Ring1][=Branch1][=O]
2.33
[C][C][C][C][C][C][N][Ring1][=Branch1][N][=O]
1.555
[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O][Ring1][#Branch1]
1.558
[C][C][C][N][C][Branch1][C][C][C][N][Ring1][#Branch1]
1.61
[C][C][C][N][C][C][Branch1][C][C][O][Ring1][#Branch1]
2.184
[C][C][C][O][Ring1][Ring1]
2.475
[C][C][C][O][C][Branch1][#Branch1][C][Branch1][C][Cl][C][Cl][O][Ring1][=Branch2]
2.108
[C][=C][C][O][C][C][Branch1][C][C][O][Ring1][=Branch1]
2.372
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][N][Branch1][C][C][C]
1.468
[C][C][O][C][C][O][Ring1][Branch1]
1.907
[C][C][Br]
3.15
[C][C][C][#N]
2.482
[C][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][Cl][=C][Ring1][N][Cl]
1.523
[C][C][C][=Branch1][C][=O][C][Branch1][C][C][=O]
3.556
[C][C][C][=Branch1][C][=O][C][Branch1][O][C][C][Branch1][C][C][N][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.926
[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
1.475
[C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.605
[C][C][C][=Branch1][C][=O][C][C]
2.774
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
1.246
[C][C][C][=Branch1][C][=O][O][C]
1.742
[C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][C]
1.535
[C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.323
[C][=C][O][C][=Branch1][C][=O][C][C]
1.748
[C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.875
[C][C][C][Branch1][C][Br][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][N][=O]
3.034
[C][C][C][Branch2][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]
2.139
[C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]
1.44
[C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][O][Ring1][Branch2]
2.098
[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Ring1][N][O]
3.533
[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][Ring1][N]
1.953
[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
2.786
[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][N][O][P][=Branch1][C][=O][Branch1][Ring1][N][C][O][C][C][Branch1][C][Cl][=C][Ring1][=C]
1.554
[C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]
1.642
[C][C][C][Branch1][C][C][Branch1][C][C][C][O]
2.711
[C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][N][=N][C][#N]
1.945
[C][C][C][Branch1][C][C][Branch1][C][C][O]
3.016
[C][C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][O][Ring1][Branch1]
2.515
[C][#C][C][Branch1][C][C][Branch1][C][O][C][C]
2.158
[C][C][C][Branch1][C][C][Branch1][C][O][C][C]
1.781
[C][C][C][Branch1][C][C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.402
[C][C][C][Branch1][C][C][=N][C][C][C][C][C][C][N][=C][Branch1][C][C][C][C]
1.421
[C][C][C][Branch1][C][C][=O]
2.302
[C][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][Branch1][C][N][=O]
1.509
[C][C][C][Branch1][C][C][C][Branch1][C][C][C][=O]
1.689
[C][C][C][Branch1][C][C][C][Branch1][C][C][C][O]
2.275
[C][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][Branch1][C][N][=O]
1.129
[C][C][C][Branch1][C][C][C][=O]
3.983
[C][C][C][Branch1][C][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]
3.745
[C][C][C][Branch1][C][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][C][=C][Branch1][C][C][C]
3.743
[C][C][C][Branch1][C][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][C][Branch1][C][C][C]
3.196
[C][C][C][Branch1][C][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][S][C]
3.672
[C][C][C][Branch1][C][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][C][=O]
3.684
[C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][Ring1][N]
4.317
[C][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][Ring1][O]
3.801
[C][C][C][Branch1][C][C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Ring1][O][C]
1.778
[C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.772
[C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C]
1.307
[C][C][C][Branch1][C][C][C][C][C][C][Cl]
0.724
[C][C][C][Branch1][C][C][Cl]
1.945
[C][C][C][Branch1][C][C][C][O]
2.284
[C][C][C][Branch1][C][C][N]
1.446
[C][C][C][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C]
2.61
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=O]
2.072
[C][C][C][Branch1][C][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1]
1.058
[C][C][C][Branch1][C][C][O]
2.175
[C][C][C][Branch1][C][C][O][C][C][O]
1.577
[C][C][=C][Branch1][Ring1][C][=O][C][C]
2.589
[C][=C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][Branch1][C][N][=O]
2.192
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O]
1.979
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Br][Branch1][C][Br][Br]
2.439
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
1.723
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O]
1.401
[C][C][C][Branch1][Ring1][C][=O][C][C]
1.742
[C][C][C][Branch1][Ring1][C][C][C][O]
1.335
[C][C][C][Branch1][Ring1][C][C][C][O][Si][Branch1][#Branch2][O][C][C][Branch1][Ring1][C][C][C][C][Branch1][#Branch2][O][C][C][Branch1][Ring1][C][C][C][C][O][C][C][Branch1][Ring1][C][C][C][C]
1.381
[C][=C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C]
1.748
[C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C]
1.8
[C][C][C][Branch1][Ring1][C][C][C][O][C][C][C][#N]
1.669
[C][C][C][Branch1][Ring1][C][C][C][O][C][C][C][=Branch1][C][=O][O]
1.884
[C][C][C][Branch1][Ring1][C][C][C][O][C][C][O]
2.055
[C][C][C][Branch1][Ring1][C][C][C][O][C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][Branch1][Ring1][C][C][C][C]
2.093
[C][C][C][Branch1][Ring1][C][C][C][O][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][Branch1][Ring1][C][C][C][C]
2.352
[C][C][C][Branch1][Ring1][C][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1]
2.569
[C][C][C][Branch2][Ring1][Ring2][C][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][C][N][=C][Ring1][=Branch2][I][C][=Branch1][C][=O][O]
2.149
[C][C][C][Branch1][C][Cl][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
1.296
[C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
1.24
[C][C][C][Branch1][C][Cl][Cl]
1.548
[C][=C][C][O][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O]
1.482
[C][C][C][Branch1][Ring1][C][O][C][C][Branch1][C][C][C]