0  B6R0.1  CCCC(C)CO 7745 [0,1,0,0,0,0|0,0,2]=3
1  B6R0.2  C[C@@H](CC(=O)[O-])O 23665017 [0,1,0,0,0,0|2,0,1]=4
2  B5R0.2  C\C=C\CC#N 5324707 [1,1,0,0,0,0|0,0,1]=3
3  B7R0.14  CCC(C(C)(C)C)O 19871 [0,2,0,0,0,0|0,0,2]=4