0  B4R0.1  CC=C(C)Br CM14455 [0,0,0,0,0,0|1,0,1]=2
1  B4R0.1  C[C@@H](CN)N CM14368 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  C[C@H](CN)N CM14342 [0,0,0,0,0,0|2,0,1]=3
3  B3R0.1  C=CC=O CM11306 [1,0,0,0,0,0|0,0,2]=3
4  B3R0.2  CC(=S)O CM13905 [1,0,0,0,0,0|1,0,1]=3
5  B3R0.2  CS(=O)[O-] CM13899 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.1  C(C#N)C(=O)O CM10060 [0,1,0,0,0,0|1,0,1]=3
7  B5R0.1  CC#CC(=O)O CM10024 [0,1,0,0,0,0|1,0,1]=3
8  B5R0.1  CC(CCO)N CM14429 [0,1,0,0,0,0|1,0,1]=3
9  B5R0.4  CC(C)(CN)N CM11082 [0,1,0,0,0,0|2,0,1]=4
10  B5R0.4  CC(C)(CN)S CM13886 [0,1,0,0,0,0|1,1,1]=4
11  B5R0.5  CC(C(=O)O)F CM13749 [0,1,0,0,0,0|1,0,0]=2
12  B5R1.2  C1C(=O)CO1 CM14220 [0,0,0,1,0,0|1,0,0]=2
13  B5R1.2  C1C(CN1)F CM14271 [0,0,0,1,0,0|2,0,1]=4
14  B5R1.2  C1C(CN1)O CM14096 [0,0,0,1,0,0|1,0,2]=4
15  B5R1.2  C1C(CO1)I CM14229 [0,0,0,1,0,0|2,0,1]=4
16  B5R1.2  C1C(CO1)N CM14221 [0,0,0,1,0,0|2,0,1]=4
17  B5R1.2  C1C(CO1)O CM14219 [0,0,0,1,0,0|1,0,2]=4
18  B5R1.2  C1CC(=O)C1 CM14132 [0,0,0,1,0,0|0,0,0]=1
19  B5R1.3  C1CC1CBr CM13343 [0,0,0,1,0,0|2,0,1]=4
20  B2R0.1  C[Mg]Br CM14390 [2,0,0,0,0,0|2,0,0]=4
21  B4R0.2  COCC#N CM13130 [1,1,0,0,0,0|1,0,1]=4
22  B6R0.3  CCC(C(=O)N)N CM11025 [0,2,0,0,0,0|1,0,0]=3
23  B6R0.4  CC(=O)C=COC CM11079 [0,2,0,0,0,0|0,0,1]=3
24  B6R0.5  CS(=O)(=O)CC#N CM13898 [0,2,0,0,0,0|1,0,1]=4
25  B6R1.2  C1COCC1Br CM10289 [0,1,0,1,0,0|1,0,1]=4
26  B6R1.3  C1CC1CCO CM13498 [0,1,0,1,0,0|1,0,1]=4
27  B6R1.11  C1CC1C(=O)Cl CM13883 [0,1,0,1,0,0|1,0,0]=3
28  B6R1.6  C1CC(C1)CBr CM14105 [0,1,0,1,0,0|1,0,1]=4