Datasets:
lhallee
/
LD50_selfies

Dataset card Data Studio Files Community
labels
float64
0.29
10.2
seqs
stringlengths
6
382
1.532
[C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O]
1.143
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][C][C][Branch1][C][O][C][Ring1][=Branch1][O]
1.501
[C][C][=C][C][=C][C][=C][C][Branch1][C][C][=O]
3.356
[C][C][Branch2][Ring1][N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring1][=C][C][=Branch1][C][=O][O]
1.649
[N][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Cl]
2.248
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N][O]
1.779
[C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
1.78
[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Cl]
2.158
[C][C][=C][C][=C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][#N][C][=C][Ring1][=N]
2.629
[N][#C][C][Branch1][C][Cl][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.932
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][O][=C][Ring1][=Branch2]
2.19
[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2]
2.553
[N][#C][C][C][N][C][=Branch1][C][=O][C][Cl]
3.437
[C][S][C][C][C][Branch1][C][O][C][#N]
1.669
[O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.238
[C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O][C]
5.104
[C][=C][C][=Branch2][Ring2][C][=C][C][=C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][C][C][C][Branch1][C][O][C][C][Ring2][Ring1][N][O]
2.347
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][Ring1][O]
1.42
[C][=C][O][C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C]
2.095
[O][=S][=Branch1][C][=O][C][C][C][Branch1][#Branch1][N][C][=Branch1][C][=S][S][C][Ring1][#Branch2]
2.13
[C][C][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O]
1.5
[N][C][=Branch1][C][=NH2+1][N][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O-1]
3.303
[O][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.57
[C][=C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][=C]
2.607
[O][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.696
[C][=C][C][N][=C][=O]
1.888
[C][C][C][C][C][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
2.984
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][S][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][Cl][=C][Ring1][#C]
1.995
[O][C][=C][C][=C][Branch2][Ring1][P][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch1]
2.097
[C][C][C][P][=Branch1][C][=O][Branch1][Ring2][C][C][C][C][C][C]
2.87
[C][C][O][P][=Branch1][C][=O][Branch1][C][Cl][Cl]
5.105
[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][P][N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1]
2.36
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
2.481
[C][C][O][Si][Branch1][C][C][Branch1][#C][C][C][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C][O][C][C]
2.147
[O][=C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.462
[C][C][Branch1][C][C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
1.494
[C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][Branch1][C][Cl][Cl]
2.983
[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2][C][=Branch1][C][=O][O][C][C]
1.678
[N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
1.848
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][C][C][=O][C][=C][Ring1][#Branch2]
2.378
[C][C][O][C][=Branch1][C][=S][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
3.356
[C][O][C][=Branch1][C][=O][C][Branch2][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2][C][=Branch1][C][=O][O][C]
1.933
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
3.429
[C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2]
2.378
[C][C][O][C][=Branch1][C][=S][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
2.514
[C][P][=Branch1][C][=O][Branch1][C][O][F]
2.117
[C][C][=C][C][=C][C][#N]
3.742
[C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][Ring1][Branch2]
2.411
[C][C][O][C][=Branch1][C][=S][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2]
5.11
[F][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][Ring1][=Branch2][=C][Ring1][#C][Cl]
2.642
[C][C][Branch1][C][C][Branch1][C][C][N][=N][C][Branch1][C][C][Branch1][C][C][O]
2.461
[C][C][C][O][C][=C][C][Branch1][#Branch2][C][=C][C][=Branch1][C][=S][O][C][C][=C][C][=C][Ring1][=N][O][C]
1.836
[C][C][O][Si][Branch1][Ring2][C][C][S][Branch1][Ring2][O][C][C][O][C][C]
2.063
[C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
1.395
[C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C]
2.256
[C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=N][O][C]
2.449
[C][C][O][C][=Branch1][C][=S][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N]
2.082
[C][C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
1.929
[C][C][C][C][=C][C][Branch1][Ring1][O][C][O][C]
2.4
[C][C][O][C][=Branch1][C][=S][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
2.123
[C][C][C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
3.297
[C][=C][Branch1][C][C][C][N][C][C]
2.388
[C][C][O][C][=Branch1][C][=S][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
1.905
[C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
3.293
[C][C][O][C][=Branch1][C][=S][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2]
2.791
[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][Branch1][C][C][C]
2.248
[C][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
2.432
[C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][=N][O][C]
2.245
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
3.219
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C]
2.42
[C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][O][=S][C][Branch1][Ring1][C][C][=C][Ring1][O][O][C]
3.047
[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1]
2.792
[C][C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][Branch1][Ring1][N][=O][C][Branch1][C][C][=C][Ring1][=Branch2]
2.258
[C][C][O][C][=Branch1][C][=S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
2.746
[C][=C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][N][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][C][Ring1][=C]
2.443
[C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][C][=S][O][C][C][C][=C][Ring1][=N][O][C]
2.573
[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][C][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C]
2.11
[N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][S]
3.047
[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][Branch2][Branch1][C][C][C]
2.735
[O][=C][Branch1][Ring1][C][I][N][C][=Branch1][C][=O][C][I]
3.359
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1]
1.481
[C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C][=C][C][C][C][C][=Branch1][C][=O][O]
4.628
[C][O][P][Branch1][C][C][=Branch1][C][=O][S][C]
1.922
[C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]
3.379
[N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
1.642
[C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]
2.857
[Cl][C][C][C][C][C][C][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
2.203
[C][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][O]
2.031
[C][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.674
[C][C][C][O][C][C][Branch1][C][C][O]
1.691
[N][#C][C][C][O][C][C][C][C][O][C][C][C][#N]
3.391
[N][#C][C][=N][N][Branch2][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][Cl][C][Branch1][C][N][=C][Ring2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
1.116
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]
2.244
[C][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O]
1.898
[O][=P][Branch1][C][O][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.926
[C][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][Cl]
2.003
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.358
[N][C][C][C][C][C][Branch1][Ring1][C][N][C][C][C][N]
2.818
[C][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=C][Ring1][O]
2.405
[C][C][S][C][Branch1][Ring2][S][C][C][=C][Branch1][Ring1][C][#N][C][#N]