0  B6R0.1  CCCC(C)CO 7745 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.2  C(CCO)CO 8064 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.2  C\C=C\CC#N 5324707 [1,0,0,0,0,0|1,0,2]=4
3  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,1,0,0,0,0|1,0,0]=2
4  B7R0.12  CCN(CC)CCO 7497 [0,1,0,0,0,0|3,0,0]=4
5  B6R0.2  C[C@@H](CC(=O)[O-])O 23665017 [1,1,0,0,0,0|1,0,0]=3
6  B8R0.23  CC(C)CC(=O)C(=O)[O-] 23680490 [0,2,0,0,0,0|1,0,1]=4
7  B8R0.23  CC(C)CC(=O)C(=O)[O-] 4137900 [0,2,0,0,0,0|1,0,1]=4