0  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,0,1,0,0,0|2,0,0]=3
1  B6R0.1  CCCC(C)CO 7745 [1,0,1,0,0,0|0,0,1]=3
2  B6R0.2  C[C@@H](CC(=O)[O-])O 23665017 [1,0,1,0,0,0|2,0,0]=4
3  B8R0.23  CC(C)CC(=O)C(=O)[O-] 23680490 [0,1,1,0,0,0|1,0,1]=4
4  B8R0.23  CC(C)CC(=O)C(=O)[O-] 4137900 [0,1,1,0,0,0|1,0,1]=4