0  B6R0.2  C[C@@H](CC(=O)[O-])O 23665017 [1,0,0,0,0,0|1,0,1]=3
1  B8R0.23  CC(C)CC(=O)C(=O)[O-] 23680490 [0,0,0,0,0,1|1,0,2]=4
2  B8R0.23  CC(C)CC(=O)C(=O)[O-] 4137900 [0,0,0,0,0,1|1,0,2]=4