0  B4R0.1  CC=C(C)Br CM14455 [1,0,0,0,0,0|1,0,2]=4
1  B4R0.1  C[C@@H](CN)N CM14368 [1,0,0,0,0,0|2,0,1]=4
2  B4R0.1  C[C@H](CN)N CM14342 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.2  COCC#N CM13130 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.3  CCC(C(=O)N)N CM11025 [0,1,0,0,0,0|2,0,0]=3
5  B6R1.2  C1C=CCC1O CM14094 [0,0,0,1,0,0|0,0,2]=3
6  B6R1.2  C1COCC1Br CM10289 [0,0,0,1,0,0|2,0,1]=4
7  B6R1.6  C1CC(C1)CBr CM14105 [0,0,0,1,0,0|2,0,1]=4
8  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,2]=4
9  B3R0.2  CC(=S)O CM13905 [2,0,0,0,0,0|1,0,1]=4
10  B5R0.1  CC(CCO)N CM14429 [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|2,0,0]=4
12  B5R0.5  CC(C(=O)O)F CM13749 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.2  C(CC#N)CBr CM12994 [1,1,0,0,0,0|1,0,1]=4
14  B5R1.2  C1C(CN1)O CM14096 [1,0,0,1,0,0|1,0,1]=4
15  B5R1.2  C1C(CO1)O CM14219 [1,0,0,1,0,0|1,0,1]=4
16  B5R1.1  C1C=CCN1 CM14480 [1,0,0,1,0,0|1,0,0]=3
17  B7R1.2  C1=CC(=O)OC1O CM11011 [0,1,0,1,0,0|1,0,1]=4
18  B7R1.2  C1C[C@H](C[C@@H]1N)O CM10407 [0,1,0,1,0,0|0,0,2]=4
19  B7R1.3  C1COCCC1O CM14273 [0,1,0,1,0,0|0,0,2]=4
20  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,1,0,1,0,0|2,0,0]=4