0  B5R0.1  C(C#N)C(=O)O CM10060 [1,0,0,0,0,0|2,0,0]=3
1  B5R0.1  CC#CC(=O)O CM10024 [1,0,0,0,0,0|1,0,1]=3
2  B7R1.3  C1COC(=O)CN1 CM10412 [0,0,0,1,0,0|1,0,0]=2
3  B7R1.3  C1COCCC1=O CM14255 [0,0,0,1,0,0|3,0,0]=4
4  B7R1.22  C1CC1C(=O)CBr CM11136 [0,0,0,1,0,0|3,0,0]=4
5  B4R0.1  CC=C(C)Br CM14455 [2,0,0,0,0,0|1,0,1]=4
6  B4R0.2  COCC#N CM13130 [2,0,0,0,0,0|2,0,0]=4
7  B6R0.3  CCC(C(=O)N)N CM11025 [1,1,0,0,0,0|2,0,0]=4
8  B6R0.4  CC(=O)C=COC CM11079 [1,1,0,0,0,0|0,1,1]=4
9  B8R0.6  CCCSCC(=O)OC CM13897 [0,2,0,0,0,0|0,0,0]=2
10  B6R1.11  C1CC1C(=O)Cl CM13883 [1,0,0,1,0,0|2,0,0]=4
11  B6R1.1  C1CSCCN1 CM13980 [1,0,0,1,0,0|1,0,1]=4
12  B8R1.1  C1[C@@H](COC1=O)CF CM14414 [0,1,0,1,0,0|1,0,0]=3