0  B5R0.1  CC(CCO)N CM14429 [0,0,0,0,0,0|1,0,2]=3
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|2,0,0]=3
3  B4R0.1  C[C@H](CN)N CM14342 [1,0,0,0,0,0|2,0,0]=3
4  B4R0.2  COCC#N CM13130 [1,0,0,0,0,0|2,0,1]=4
5  B6R1.2  C1C=CCC1O CM14094 [0,0,0,1,0,0|2,0,0]=3
6  B6R1.2  C1COCC1Br CM10289 [0,0,0,1,0,0|1,0,2]=4
7  B6R1.3  C1CC1CC#N CM13687 [0,0,0,1,0,0|1,0,1]=3
8  B6R1.3  C1CC1CCO CM13498 [0,0,0,1,0,0|0,0,2]=3
9  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,2]=4
10  B3R0.2  CS(=O)[O-] CM13899 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.4  CC(C)(C)C#N CM14136 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.4  CC(C)(C)C=O CM10011 [1,1,0,0,0,0|0,0,0]=2
13  B5R0.4  CC(C)(CN)N CM11082 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.4  CC(C)(CN)S CM13886 [1,1,0,0,0,0|1,0,0]=3
15  B5R0.5  CC(C(=O)O)F CM13749 [1,1,0,0,0,0|1,0,0]=3
16  B5R0.2  C(CC#N)CBr CM12994 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.6  CC(C)CO[N+](=O)[O-] CM13895 [0,2,0,0,0,0|1,0,0]=3
18  B7R0.6  CN(C)C=C[N+](=O)[O-] CM10970 [0,2,0,0,0,0|1,0,1]=4
19  B5R1.2  C1C(CN1)F CM14271 [1,0,0,1,0,0|2,0,0]=4
20  B5R1.2  C1C(CN1)O CM14096 [1,0,0,1,0,0|2,0,0]=4
21  B5R1.2  C1C(CO1)I CM14229 [1,0,0,1,0,0|1,0,1]=4
22  B5R1.2  C1C(CO1)N CM14221 [1,0,0,1,0,0|1,0,1]=4
23  B5R1.2  C1C(CO1)O CM14219 [1,0,0,1,0,0|1,0,1]=4
24  B5R1.3  C1CC1CBr CM13343 [1,0,0,1,0,0|1,0,0]=3
25  B5R1.1  C1C=CCN1 CM14480 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.20  C1CC1CC(=O)O CM13686 [0,1,0,1,0,0|0,0,0]=2