0  B6R0.2  CC(O)CC([O-])=O H0080 [1,0,0,0,0,0|0,0,1]=2
1  B6R0.3  OC[C@H](C)C([O-])=O H0292 [1,0,0,0,0,0|1,0,1]=3
2  B8R0.27  CC(C)(O)C(O)C([O-])=O S0055 [0,1,0,0,0,0|1,0,1]=3
3  B8R0.37  C(C(C(=O)O)(F)F)(F)F F0086 [0,1,0,0,0,0|3,0,0]=4
4  B8R0.23  O=C(O)[C@H](N)CC(O)=O A0326 [0,0,0,0,0,1|1,0,1]=3
5  B5R0.1  CNCC(O)=O S0121 [2,0,0,0,0,0|1,0,0]=3
6  B5R0.3  OCC(Cl)CO C0752 [2,0,0,0,0,0|1,0,1]=4
7  B7R0.2  COC(=O)C[C@@H](C)O H0102 [1,1,0,0,0,0|0,0,0]=2
8  B7R0.5  [NH3+]CCC([NH3+])C(O)=O D0154 [1,1,0,0,0,0|0,0,1]=3
9  B7R0.10  OCC(C)C(O[Na])=O H0085 [1,1,0,0,0,0|1,0,0]=3
10  B9R0.27  C([C@H]([C@H]([C@@H](C=O)O)O)O)O A0200 [0,2,0,0,0,0|1,0,1]=4
11  B9R0.27  O=C[C@@H]([C@@H]([C@@H](CO)O)O)O R0065 [0,2,0,0,0,0|1,0,1]=4
12  B7R1.4  O=C1NOC[C@H]1N D0356 [1,0,0,1,0,0|1,0,0]=3
13  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [1,0,0,1,0,0|0,0,1]=3
14  B7R1.18  OC([C@@H]1CCN1)=O A0051 [1,0,0,1,0,0|0,0,0]=2
15  B9R1.35  O[C@H]1CN[C@H](C(O)=O)C1 T0254 [0,0,0,1,0,1|0,0,0]=2