0  B5R0.1  CC(CCO)N CM14429 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  CC=C(C)Br CM14455 [1,0,0,0,0,0|2,0,1]=4
2  B4R0.1  C[C@@H](CN)N CM14368 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  C[C@H](CN)N CM14342 [1,0,0,0,0,0|2,0,1]=4
4  B6R1.2  C1C=CCC1O CM14094 [0,0,0,1,0,0|3,0,0]=4
5  B6R1.3  C1CC1CC#N CM13687 [0,0,0,1,0,0|2,0,1]=4
6  B6R1.3  C1CC1CCO CM13498 [0,0,0,1,0,0|1,0,2]=4
7  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,2]=4
8  B3R0.2  CC(=S)O CM13905 [2,0,0,0,0,0|1,0,1]=4
9  B3R0.2  CS(=O)[O-] CM13899 [2,0,0,0,0,0|2,0,0]=4
10  B5R0.4  CC(C)(C)C#N CM14136 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.4  CC(C)(C)C=O CM10011 [1,1,0,0,0,0|0,0,0]=2
12  B5R0.4  CC(C)(CN)N CM11082 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.4  CC(C)(CN)S CM13886 [1,1,0,0,0,0|1,0,1]=4
14  B5R0.5  CC(C(=O)O)F CM13749 [1,1,0,0,0,0|1,0,0]=3
15  B7R0.6  CC(C)CO[N+](=O)[O-] CM13895 [0,2,0,0,0,0|1,0,0]=3
16  B7R0.6  CN(C)C=C[N+](=O)[O-] CM10970 [0,2,0,0,0,0|2,0,0]=4
17  B5R1.3  C1CC1CBr CM13343 [1,0,0,1,0,0|1,0,1]=4
18  B7R1.2  C1=CC(=O)OC1O CM11011 [0,1,0,1,0,0|1,0,1]=4
19  B7R1.20  C1CC1CC(=O)O CM13686 [0,1,0,1,0,0|1,0,0]=3