0  B6R0.2  CC(O)CC([O-])=O H0080 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.1  CNCC(O)=O S0121 [1,0,0,0,0,0|1,0,0]=2
2  B7R0.2  COC(=O)C[C@@H](C)O H0102 [0,1,0,0,0,0|3,0,0]=4
3  B6R0.4  OC(CCCN)=O G0043 [1,1,0,0,0,0|2,0,0]=4
4  B8R0.27  CC(C)(O)C(O)C([O-])=O S0055 [0,2,0,0,0,0|2,0,0]=4