0  B6R0.1  CCCC(C)CO 7745 [0,1,0,0,0,0|1,0,2]=4
1  B6R0.2  C[C@@H](CC(=O)[O-])O 23665017 [0,1,0,0,0,0|2,0,0]=3
2  B3R0.2  C(=O)([O-])[O-] 5458168 [2,0,0,0,0,0|1,0,1]=4
3  B5R0.2  C\C=C\CC#N 5324707 [1,1,0,0,0,0|1,0,1]=4
4  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,2,0,0,0,0|0,0,0]=2