0  B5R0.2  C(CCO)CO 8064 [0,0,1,0,0,0|0,0,2]=3
1  B6R0.1  CCCC(C)CO 7745 [0,1,1,0,0,0|1,0,1]=4
2  B6R0.2  C[C@@H](CC(=O)[O-])O 23665017 [0,1,1,0,0,0|0,0,1]=3