lhallee/LD50_selfies_log · Datasets at Hugging Face

labels float64 -1.23 2.32	seqs stringlengths 6 382
0.522952	[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]
0.649195	[C][C][C][=C][NH1][N][=Ring1][Branch1]
0.451712	[C][C][C][C][Branch1][Ring1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2]
0.495306	[C][C][C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
0.293416	[C][C][C][C][=C][C][C][Ring1][=Branch1][C][=O]
0.953201	[C][=C][C][O][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Ring1][C][C][Ring1][#Branch1][C]
-0.200893	[C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2]
0.764072	[C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]
0.054488	[C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
0.34713	[C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C]
0.672434	[C][C][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][N]
0.541743	[C][C][C][C][C][C][C][Ring1][=Branch1][=O]
0.845868	[C][C][C][C][C][C][N][Ring1][=Branch1][N][=O]
0.441476	[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O][Ring1][#Branch1]
0.443403	[C][C][C][N][C][Branch1][C][C][C][N][Ring1][#Branch1]
0.476234	[C][C][C][N][C][C][Branch1][C][C][O][Ring1][#Branch1]
0.781158	[C][C][C][O][Ring1][Ring1]
0.90624	[C][C][C][O][C][Branch1][#Branch1][C][Branch1][C][Cl][C][Cl][O][Ring1][=Branch2]
0.74574	[C][=C][C][O][C][C][Branch1][C][C][O][Ring1][=Branch1]
0.863733	[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][N][Branch1][C][C][C]
0.383901	[C][C][O][C][C][O][Ring1][Branch1]
0.645531	[C][C][Br]
1.147402	[C][C][C][#N]
0.909065	[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]
0.420682	[C][C][C][=Branch1][C][=O][C][Branch1][C][C][=O]
1.268636	[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]
1.073636	[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
0.388658	[C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.473124	[C][C][C][=Branch1][C][=O][C][C]
1.02029	[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
0.219938	[C][C][C][=Branch1][C][=O][O][C]
0.555034	[C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][C]
0.42853	[C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.279902	[C][=C][O][C][=Branch1][C][=O][C][C]
0.558472	[C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.056053	[C][C][C][Branch1][C][Br][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][N][=O]
1.109882	[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]
0.760338	[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]
0.364643	[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]
0.740985	[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]
1.262147	[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]
0.669367	[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
1.024607	[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]
0.440832	[C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]
0.495915	[C][C][C][Branch1][C][C][Branch1][C][C][C][O]
0.997318	[C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][N][=N][C][#N]
0.665262	[C][C][C][Branch1][C][C][Branch1][C][C][O]
1.103931	[C][C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][O][Ring1][Branch1]
0.922273	[C][#C][C][Branch1][C][C][Branch1][C][O][C][C]
0.769182	[C][C][C][Branch1][C][C][Branch1][C][O][C][C]
0.577175	[C][C][C][Branch1][C][C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.876302	[C][C][C][Branch1][C][C][=N][C][C][C][C][C][C][N][=C][Branch1][C][C][C][C]
0.351361	[C][C][C][Branch1][C][C][=O]
0.833778	[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]
0.411447	[C][C][C][Branch1][C][C][C][Branch1][C][C][C][=O]
0.524137	[C][C][C][Branch1][C][C][C][Branch1][C][C][C][O]
0.82198	[C][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][Branch1][C][N][=O]
0.121332	[C][C][C][Branch1][C][C][C][=O]
1.382035	[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]
1.320422	[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]
1.319887	[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]
1.1619	[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]
1.300736	[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]
1.303999	[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]
1.462561	[C][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][Ring1][O]
1.335264	[C][C][C][Branch1][C][C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Ring1][O][C]
0.575489	[C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.019569	[C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C]
0.267734	[C][C][C][Branch1][C][C][C][C][C][C][Cl]
-0.322964	[C][C][C][Branch1][C][C][Cl]
0.665262	[C][C][C][Branch1][C][C][C][O]
0.825928	[C][C][C][Branch1][C][C][N]
0.368801	[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]
0.95935	[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=O]
0.728514	[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]
0.05638	[C][C][C][Branch1][C][C][O]
0.777029	[C][C][C][Branch1][C][C][O][C][C][O]
0.455524	[C][C][=C][Branch1][Ring1][C][=O][C][C]
0.951272	[C][=C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][Branch1][C][N][=O]
0.784814	[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O]
0.682592	[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Br][Branch1][C][Br][Br]
0.891588	[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
0.544067	[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O]
0.337186	[C][C][C][Branch1][Ring1][C][=O][C][C]
0.555034	[C][C][C][Branch1][Ring1][C][C][C][O]
0.288931	[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]
0.322808	[C][=C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C]
0.558472	[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]
0.587787	[C][C][C][Branch1][Ring1][C][C][C][O][C][C][C][#N]
0.512225	[C][C][C][Branch1][Ring1][C][C][C][O][C][C][C][=Branch1][C][=O][O]
0.633397	[C][C][C][Branch1][Ring1][C][C][C][O][C][C][O]
0.720276	[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]
0.738598	[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]
0.855266	[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]
0.943517	[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]
0.765003	[C][C][C][Branch1][C][Cl][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
0.259283	[C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
0.215111	[C][C][C][Branch1][C][Cl][Cl]
0.436964	[C][=C][C][O][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O]
0.393393	[C][C][C][Branch1][Ring1][C][O][C][C][Branch1][C][C][C]

0.522952

[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]

0.649195

[C][C][C][=C][NH1][N][=Ring1][Branch1]

0.451712

[C][C][C][C][Branch1][Ring1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2]

0.495306

[C][C][C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]

0.293416

[C][C][C][C][=C][C][C][Ring1][=Branch1][C][=O]

0.953201

[C][=C][C][O][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Ring1][C][C][Ring1][#Branch1][C]

-0.200893

[C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2]

0.764072

[C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]

0.054488

[C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]

0.34713

[C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C]

0.672434

[C][C][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][N]

0.541743

[C][C][C][C][C][C][C][Ring1][=Branch1][=O]

0.845868

[C][C][C][C][C][C][N][Ring1][=Branch1][N][=O]

0.441476

[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O][Ring1][#Branch1]

0.443403

[C][C][C][N][C][Branch1][C][C][C][N][Ring1][#Branch1]

0.476234

[C][C][C][N][C][C][Branch1][C][C][O][Ring1][#Branch1]

0.781158

[C][C][C][O][Ring1][Ring1]

0.90624

[C][C][C][O][C][Branch1][#Branch1][C][Branch1][C][Cl][C][Cl][O][Ring1][=Branch2]

0.74574

[C][=C][C][O][C][C][Branch1][C][C][O][Ring1][=Branch1]

0.863733

[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][N][Branch1][C][C][C]

0.383901

[C][C][O][C][C][O][Ring1][Branch1]

0.645531

[C][C][Br]

1.147402

[C][C][C][#N]

0.909065

[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]

0.420682

[C][C][C][=Branch1][C][=O][C][Branch1][C][C][=O]

1.268636

[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]

1.073636

[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]

0.388658

[C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]

0.473124

[C][C][C][=Branch1][C][=O][C][C]

1.02029

[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]

0.219938

[C][C][C][=Branch1][C][=O][O][C]

0.555034

[C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][C]

0.42853

[C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

0.279902

[C][=C][O][C][=Branch1][C][=O][C][C]

0.558472

[C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]

1.056053

[C][C][C][Branch1][C][Br][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][N][=O]

1.109882

[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]

0.760338

[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]

0.364643

[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]

0.740985

[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]

1.262147

[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]

0.669367

[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

1.024607

[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]

0.440832

[C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1]

0.495915

[C][C][C][Branch1][C][C][Branch1][C][C][C][O]

0.997318

[C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][N][=N][C][#N]

0.665262

[C][C][C][Branch1][C][C][Branch1][C][C][O]

1.103931

[C][C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][O][Ring1][Branch1]

0.922273

[C][#C][C][Branch1][C][C][Branch1][C][O][C][C]

0.769182

[C][C][C][Branch1][C][C][Branch1][C][O][C][C]

0.577175

[C][C][C][Branch1][C][C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

0.876302

[C][C][C][Branch1][C][C][=N][C][C][C][C][C][C][N][=C][Branch1][C][C][C][C]

0.351361

[C][C][C][Branch1][C][C][=O]

0.833778

[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]

0.411447

[C][C][C][Branch1][C][C][C][Branch1][C][C][C][=O]

0.524137

[C][C][C][Branch1][C][C][C][Branch1][C][C][C][O]

0.82198

[C][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][Branch1][C][N][=O]

0.121332

[C][C][C][Branch1][C][C][C][=O]

1.382035

[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]

1.320422

[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]

1.319887

[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]

1.1619

[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]

1.300736

[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]

1.303999

[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]

1.462561

[C][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][Ring1][O]

1.335264

[C][C][C][Branch1][C][C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Ring1][O][C]

0.575489

[C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

1.019569

[C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C]

0.267734

[C][C][C][Branch1][C][C][C][C][C][C][Cl]

-0.322964

[C][C][C][Branch1][C][C][Cl]

0.665262

[C][C][C][Branch1][C][C][C][O]

0.825928

[C][C][C][Branch1][C][C][N]

0.368801

[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]

0.95935

[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=O]

0.728514

[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]

0.05638

[C][C][C][Branch1][C][C][O]

0.777029

[C][C][C][Branch1][C][C][O][C][C][O]

0.455524

[C][C][=C][Branch1][Ring1][C][=O][C][C]

0.951272

[C][=C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][Branch1][C][N][=O]

0.784814

[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O]

0.682592

[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Br][Branch1][C][Br][Br]

0.891588

[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]

0.544067

[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O]

0.337186

[C][C][C][Branch1][Ring1][C][=O][C][C]

0.555034

[C][C][C][Branch1][Ring1][C][C][C][O]

0.288931

[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]

0.322808

[C][=C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C]

0.558472

[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]

0.587787

[C][C][C][Branch1][Ring1][C][C][C][O][C][C][C][#N]

0.512225

[C][C][C][Branch1][Ring1][C][C][C][O][C][C][C][=Branch1][C][=O][O]

0.633397

[C][C][C][Branch1][Ring1][C][C][C][O][C][C][O]

0.720276

[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]

0.738598

[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]

0.855266

[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]

0.943517

[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]

0.765003

[C][C][C][Branch1][C][Cl][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]

0.259283

[C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]

0.215111

[C][C][C][Branch1][C][Cl][Cl]

0.436964

[C][=C][C][O][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O]

0.393393

[C][C][C][Branch1][Ring1][C][O][C][C][Branch1][C][C][C]