lhallee/LD50_selfies_log · Datasets at Hugging Face

labels float64 -1.23 2.32	seqs stringlengths 6 382
1.122654	[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.307251	[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][O][P][Branch1][C][C][=Branch1][C][=S][S][C][C][C]
0.998424	[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][S][C][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][O][C][C]
1.132369	[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][S][C][C][=Branch1][C][=O][O][C][C]
1.411718	[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][S][C][C][C]
0.370183	[C][Cl]
0.718815	[C][C][N]
0.606499	[C][C][N+1][=Branch1][C][=O][O-1]
0.757061	[C][C][=C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
1.302369	[C][C][N][Branch1][C][C][C][C][C][Branch1][Branch2][C][C][=C][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]
1.095608	[C][C][N][Branch1][C][C][N][=O]
0.508623	[C][=C][N][Branch1][Ring1][C][C][C][Branch1][C][C][=O]
1.117107	[C][=C][N][Branch1][Ring1][C][C][N][=O]
0.420682	[C][=C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1]
0.793445	[C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][=O]
0.752359	[C][C][#C][N][Branch1][Ring1][C][C][C][C]
0.551007	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
1.520388	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C]
1.150888	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
0.652325	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
0.689139	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
0.666803	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.788003	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
0.925449	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
1.049422	[C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C]
0.906644	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Cl]
0.831604	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0.514618	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]
0.883768	[C][=C][Branch1][C][Cl][C][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C]
1.01993	[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C]
0.817133	[C][C][N][Branch1][Ring1][C][C][C][Branch1][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
0.708528	[C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][N][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1]
1.22024	[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][=C][Ring1][O]
0.509825	[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N]
0.909065	[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][Ring1][N]
0.768255	[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O]
0.888714	[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][N]
0.870456	[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][N][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=N][Ring1][=C]
0.851005	[C][C][N][Branch1][Ring1][C][C][C][C]
0.620039	[C][#C][C][N][Branch1][Ring1][C][C][C][C]
1.053964	[C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
0.911479	[C][C][N][Branch1][Ring1][C][C][C][C][C][O][Ring1][Ring1]
1.093935	[C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1]
1.361489	[C][C][N][Branch1][Ring1][C][C][C][C][Cl]
0.675492	[C][C][N][Branch1][Ring1][C][C][C][C][C][N]
0.478096	[C][C][N][Branch1][Ring1][C][C][C][C][N]
0.988797	[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2]
1.029619	[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][N][C][=C][Ring1][Branch2][O][C]
0.95628	[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][=C][Ring1][Branch2][O][C]
0.733329	[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
0.890768	[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0.67039	[C][C][N][Branch1][Ring1][C][C][C][C][O]
0.4675	[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][N][Branch1][Ring1][C][C][C][C]
0.853138	[C][=C][C][=Branch1][C][=O][O][C][C][N][Branch1][Ring1][C][C][C][C]
1.182647	[C][C][N][Branch1][Ring1][C][C][C][C][O][C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.208064	[C][C][N][Branch1][Ring1][C][C][C][C][O][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O]
1.081127	[C][C][N][Branch1][Ring1][C][C][C][C][S][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.821101	[C][C][N][Branch1][Ring1][C][C][C][C][S][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
0.929404	[C][C][N][Branch1][Ring1][C][C][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.074661	[C][C][N][Branch1][Ring1][C][C][N][=N][C][=C][C][=C][N][=C][Ring1][=Branch1]
0.940788	[C][C][N][Branch1][Ring1][C][C][N][=O]
0.8671	[C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.575467	[C][C][N][Branch1][Ring2][C][C][Cl][C][C][Cl]
1.436274	[C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=S][N][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C]
-0.087739	[C][C][N][Branch1][=Branch2][C][C][O][C][Branch1][C][C][=O][C][Branch1][C][C][=O]
0.7807	[C][C][N][Branch1][Ring1][N][=O][C][=Branch1][C][=O][N][C][Branch1][C][N][=O]
0.952044	[C][C][N][Branch1][Ring1][N][=O][C][Branch1][C][N][=O]
0.593879	[C][C][N][C][C][O][C][C][Ring1][=Branch1]
0.286682	[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.35222	[C][C][N][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C]
0.91509	[C][C][N][C][=Branch1][C][=O][C][Branch1][N][S][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][=Branch1][C][=O][N][C][C]
-0.041864	[C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=O]
1.190584	[C][C][N][C][=Branch1][C][=O][C][S][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C]
0.694147	[C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2]
1.528445	[C][C][N][C][=Branch1][C][=O][O][C][C][S][C][S][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][Branch1][C][C][C]
0.963937	[C][C][N][C][=Branch1][C][=S][N][C][C]
0.962411	[C][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.178655	[C][C][N][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
1.104594	[C][C][N][C][Branch1][C][N][=S]
0.950499	[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][Ring1][N]
1.165648	[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][O][N][C][Branch1][C][C][Branch1][C][C][C][#N][=N][Ring1][=N]
0.739554	[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][N]
0.918688	[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O]
0.855691	[C][C][N][C][=N][C][Branch1][Branch2][N][C][Branch1][C][C][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][=N]
0.840273	[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Ring2][N][C][C][=N][Ring1][#Branch2]
0.982078	[C][C][N][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][=N]
0.769645	[C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][N]
0.942738	[C][C][N][C][=N][C][Branch1][Ring2][N][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][O]
0.728514	[C][C][N][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][=N]
0.65752	[C][C][N][C][=N][C][Branch1][O][N][C][Branch1][C][C][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][=C]
0.974937	[C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][N]
0.897719	[C][C][N][C][=N][C][Branch1][Ring2][N][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][O]
0.847584	[C][C][N][C][C][C][C][C][C][Ring1][=Branch1]
0.757061	[C][C][N][C][C]
1.163463	[C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
0.667829	[C][C][N][C][C][O]
1.273685	[C][C][N][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
-0.204567	[C][C][O]
0.689641	[C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Cl]
0.185649	[C][C][O][Si][Branch1][C][C][Branch1][C][C][O][C][C]

1.122654

[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

1.307251

[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][O][P][Branch1][C][C][=Branch1][C][=S][S][C][C][C]

0.998424

[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][S][C][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][O][C][C]

1.132369

[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][S][C][C][=Branch1][C][=O][O][C][C]

1.411718

[C][C][C][S][P][Branch1][C][C][=Branch1][C][=S][S][C][C][C]

0.370183

[C][Cl]

0.718815

[C][C][N]

0.606499

[C][C][N+1][=Branch1][C][=O][O-1]

0.757061

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

1.302369

[C][C][N][Branch1][C][C][C][C][C][Branch1][Branch2][C][C][=C][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]

1.095608

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

0.508623

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

1.117107

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

0.420682

[C][=C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1]

0.793445

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

0.752359

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

0.551007

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

1.520388

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

1.150888

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

0.652325

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

0.689139

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

0.666803

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

0.788003

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

0.925449

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

1.049422

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

0.906644

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

0.831604

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

0.514618

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

0.883768

[C][=C][Branch1][C][Cl][C][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C]

1.01993

[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C]

0.817133

[C][C][N][Branch1][Ring1][C][C][C][Branch1][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]

0.708528

[C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][N][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1]

1.22024

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

0.509825

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

0.909065

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

0.768255

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

0.888714

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

0.870456

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

0.851005

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

0.620039

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

1.053964

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

0.911479

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

1.093935

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

1.361489

[C][C][N][Branch1][Ring1][C][C][C][C][Cl]

0.675492

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

0.478096

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

0.988797

[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2]

1.029619

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

0.95628

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

0.733329

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

0.890768

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

0.67039

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

0.4675

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

0.853138

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

1.182647

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

1.208064

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

1.081127

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

0.821101

[C][C][N][Branch1][Ring1][C][C][C][C][S][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]

0.929404

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

1.074661

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

0.940788

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

0.8671

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

1.575467

[C][C][N][Branch1][Ring2][C][C][Cl][C][C][Cl]

1.436274

[C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=S][N][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C]

-0.087739

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

0.7807

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

0.952044

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

0.593879

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

0.286682

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

1.35222

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

0.91509

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

-0.041864

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

1.190584

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

0.694147

[C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2]

1.528445

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

0.963937

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

0.962411

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

1.178655

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

1.104594

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

0.950499

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

1.165648

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

0.739554

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

0.918688

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

0.855691

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

0.840273

[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Ring2][N][C][C][=N][Ring1][#Branch2]

0.982078

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

0.769645

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

0.942738

[C][C][N][C][=N][C][Branch1][Ring2][N][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][O]

0.728514

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

0.65752

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

0.974937

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

0.897719

[C][C][N][C][=N][C][Branch1][Ring2][N][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][O]

0.847584

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

0.757061

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

1.163463

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

0.667829

[C][C][N][C][C][O]

1.273685

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

-0.204567

[C][C][O]

0.689641

[C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Cl]

0.185649

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