lhallee/LD50_selfies · Datasets at Hugging Face

labels float64 0.29 10.2	seqs stringlengths 6 382
3.968	[C][C][Branch1][C][C][C][O][P][Branch1][C][C][=Branch1][C][=S][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]
1.858	[C][C][Branch1][C][C][N]
2.093	[C][C][Branch1][C][C][N+1][=Branch1][C][=O][O-1]
2.474	[C][C][Branch1][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.581	[C][C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][S][C][C][Branch1][C][Cl][=C][Branch1][C][Cl][Cl][C][Branch1][C][C][C]
2.835	[C][C][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][S][C][C][Branch1][C][Cl][=C][Cl][C][Branch1][C][C][C]
2.133	[C][C][Branch1][C][C][N][Branch1][Ring2][C][C][O][C][Branch1][C][C][C]
2.185	[C][C][Branch1][C][C][N][Branch1][Ring1][N][=O][C][Branch1][C][C][C]
1.861	[C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][O][Br]
1.656	[C][C][Branch1][C][C][N][C][C][N][C][C][Ring1][=Branch1]
4.291	[C][C][C][=C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=Ring1][=C]
2.552	[C][C][Branch1][C][C][N][C][=Branch1][C][=S][N][C][Branch1][C][C][C]
2.497	[C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
1.777	[C][C][Branch1][C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O]
1.797	[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]
2.775	[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
2.406	[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
2.594	[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
2.975	[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1]
1.948	[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2]
1.887	[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C]
2.045	[C][C][Branch1][C][C][N][C][C][C][N][Branch1][C][C][C]
2.691	[C][C][Branch1][C][C][N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1]
2.645	[C][C][Branch1][C][C][N][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
4.033	[C][C][Branch1][C][C][N][P][Branch1][C][O][=Branch1][C][=S][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
1.076	[C][C][Branch1][C][C][O]
1.832	[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
1.79	[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
1.644	[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.67	[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][N]
2.846	[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
1.844	[C][C][=Branch1][C][=O][O][N][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.251	[C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
2.253	[C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.532	[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
1.081	[C][C][Branch1][C][C][O][C][Branch1][C][C][C]
2.059	[C][C][Branch1][C][C][O][C][=Branch1][C][=O][Cl]
1.442	[C][C][Branch1][C][C][O][C][C][C][O][Ring1][Ring1]
1.47	[C][C][Branch1][C][C][O][C][C][C][O]
1.265	[C][C][Branch1][C][C][O][C][C][O]
4.292	[C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][O][P][=Branch1][C][=S][Branch1][Ring1][C][Cl][O][C][Branch1][C][C][C]
2.77	[C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
4.194	[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][Ring1][C][Cl][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
3.16	[C][C][=C][C][=C][Branch1][S][S][P][=Branch1][C][=S][Branch1][Ring1][C][Cl][O][C][Branch1][C][C][C][C][=C][Ring1][#C]
4.084	[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][Ring1][C][Cl][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
3.884	[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][Ring1][C][Cl][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
3.166	[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][#Branch1][O][C][Branch1][C][C][C][S][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
4.782	[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][#Branch1][O][C][Branch1][C][C][C][S][C][S][C][Branch1][C][C][C]
2.339	[C][C][Branch1][C][C][O][P][Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
3.714	[C][C][Branch1][C][C][O][P][Branch1][C][C][=Branch1][C][=S][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Cl]
5.406	[C][C][Branch1][C][C][O][P][Branch1][C][C][=Branch1][C][=O][F]
4.566	[C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][F][O][C][Branch1][C][C][C]
2.223	[C][C][Branch1][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][C][C]
1.958	[C][=C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][Branch1][C][C][O]
1.297	[C][=C][C][Branch1][C][C][C][Branch1][C][C][C][=O]
2.156	[C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][=C][C][O]
2.185	[C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O]
1.853	[C][C][Branch1][Ring1][C][=O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.627	[C][C][=C][C][=C][Branch1][#Branch1][C][Branch1][C][C][C][=O][C][=C][Ring1][#Branch2]
1.681	[C][C][Branch1][Ring1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.4	[C][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]
2.151	[C][=C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]
1.78	[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][C][C][=O]
1.642	[C][C][Branch1][Ring2][C][C][=O][C][C][Branch1][C][C][Branch1][C][C][C]
2.165	[C][C][Branch1][Ring2][C][C][=O][C][C][=O]
1.742	[C][C][Branch1][Ring1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]
1.698	[C][C][Branch1][Ring1][C][=O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2]
3.645	[C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N]
2.212	[C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][N][=O]
1.429	[C][C][Branch1][Ring1][C][=O][C][C][C][Branch1][C][C][Branch1][C][O][C][=O]
1.455	[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][#N]
1.814	[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
1.638	[C][=C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O]
2.853	[C][C][Branch1][Ring1][C][Cl][O][C][Branch1][C][C][C][Cl]
2.284	[C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][N][Branch1][C][C][C]
1.656	[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O]
1.748	[C][=C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C]
1.341	[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O][C][=O]
1.94	[C][C][Branch1][C][Cl][Branch1][Ring1][C][=O][C][Cl]
2.564	[C][C][Branch1][C][Cl][Branch1][C][Cl][C][=Branch1][C][=O][O][C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
2.168	[C][C][Branch1][C][Cl][Branch1][C][Cl][C][=Branch1][C][=O][O]
2.079	[C][C][Branch1][C][Cl][Branch1][C][Cl][C][Cl]
1.112	[C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
1.744	[C][C][Branch1][C][Cl][=C][Cl]
1.936	[C][C][=Branch1][C][=O][Cl]
2.079	[C][C][Branch1][C][Cl][C][Branch1][C][Cl][Cl]
2.337	[C][C][Branch1][C][Cl][C][=Branch1][C][=O][O]
1.764	[C][C][Branch1][C][Cl][C][Cl]
2.135	[C][C][Branch1][C][Cl][Cl]
2.637	[C][C][Branch1][C][Cl][C][O]
3.333	[C][C][Branch1][C][Cl][C][O][P][=Branch1][C][=O][Branch1][Branch2][O][C][C][Branch1][C][C][Cl][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
2.811	[C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][=Branch1][O][P][=Branch1][C][=O][Branch1][Branch2][O][C][C][Branch1][C][C][Cl][O][C][C][Branch1][C][C][Cl][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring1]
3.153	[C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
1.381	[C][C][Branch1][Ring1][C][N][N][C][C][O]
3.029	[C][C][Branch2][Ring1][C][C][N][C][C][N][Branch1][#Branch1][C][C][O][C][C][O][C][C][Ring1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
1.791	[C][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O]
1.28	[C][C][Branch1][Ring1][C][O][C][C][O]
1.618	[C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.073	[C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][O][C][Branch1][C][C][=O]
1.934	[C][C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][O][S][=Branch1][C][=O][O][C][C][Cl]

3.968

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

1.858

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

2.093

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

2.474

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

2.581

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

2.835

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

2.133

[C][C][Branch1][C][C][N][Branch1][Ring2][C][C][O][C][Branch1][C][C][C]

2.185

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

1.861

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

1.656

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

4.291

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

2.552

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

2.497

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

1.777

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

1.797

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

2.775

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

2.406

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

2.594

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

2.975

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

1.948

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

1.887

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

2.045

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

2.691

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

2.645

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

4.033

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

1.076

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

1.832

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

1.79

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

1.644

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

1.67

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

2.846

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

1.844

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

2.251

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

2.253

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

1.532

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

1.081

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

2.059

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

1.442

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

1.47

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

1.265

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

4.292

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

2.77

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

4.194

[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][Ring1][C][Cl][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]

3.16

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

4.084

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

3.884

[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][Ring1][C][Cl][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]

3.166

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

4.782

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

2.339

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

3.714

[C][C][Branch1][C][C][O][P][Branch1][C][C][=Branch1][C][=S][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Cl]

5.406

[C][C][Branch1][C][C][O][P][Branch1][C][C][=Branch1][C][=O][F]

4.566

[C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][C][F][O][C][Branch1][C][C][C]

2.223

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

1.958

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

1.297

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

2.156

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

2.185

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

1.853

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

1.627

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

1.681

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

2.4

[C][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]

2.151

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

1.78

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

1.642

[C][C][Branch1][Ring2][C][C][=O][C][C][Branch1][C][C][Branch1][C][C][C]

2.165

[C][C][Branch1][Ring2][C][C][=O][C][C][=O]

1.742

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

1.698

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

3.645

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

2.212

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

1.429

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

1.455

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

1.814

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

1.638

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

2.853

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

2.284

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

1.656

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

1.748

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

1.341

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

1.94

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

2.564

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

2.168

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

2.079

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

1.112

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

1.744

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

1.936

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

2.079

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

2.337

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

1.764

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

2.135

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

2.637

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

3.333

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

2.811

[C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][=Branch1][O][P][=Branch1][C][=O][Branch1][Branch2][O][C][C][Branch1][C][C][Cl][O][C][C][Branch1][C][C][Cl][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring1]

3.153

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

1.381

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

3.029

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

1.791

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

1.28

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

1.618

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

1.073

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

1.934

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