0  B5R0.4  CC(C)(C)C#N CM14136 [2,0,0,0,0,0|0,0,2]=4
1  B5R0.4  CC(C)(C)C=O CM10011 [2,0,0,0,0,0|1,0,1]=4
2  B5R0.4  CC(C)(CN)N CM11082 [2,0,0,0,0,0|1,0,1]=4
3  B5R0.4  CC(C)(CN)S CM13886 [2,0,0,0,0,0|0,1,1]=4