0  B6R0.1  CCCC(C)CO 7745 [1,0,0,0,0,0|0,0,1]=2
1  B8R0.23  C(C(C(=O)O)O)C(=O)O 525 [0,1,0,0,0,0|2,0,1]=4
2  B8R0.23  CC(C)CC(=O)C(=O)[O-] 23680490 [0,1,0,0,0,0|1,0,2]=4
3  B8R0.23  CC(C)CC(=O)C(=O)[O-] 4137900 [0,1,0,0,0,0|1,0,2]=4
4  B5R0.2  C(CCO)CO 8064 [2,0,0,0,0,0|1,0,1]=4
5  B9R0.7  C(CC(=O)[O-])[C@@H](C(=O)O)N 23689119 [0,2,0,0,0,0|1,0,1]=4