0  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,0,0,0,0,0|1,0,1]=2
1  B5R0.1  CC(OCBr)=O B0074 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.1  CNCC(O)=O S0121 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.3  OCC(Cl)CO C0752 [1,0,0,0,0,0|1,0,1]=3
4  B7R0.5  [NH3+]CCC([NH3+])C(O)=O D0154 [0,1,0,0,0,0|1,0,1]=3
5  B7R0.10  OCC(C)C(O[Na])=O H0085 [0,1,0,0,0,0|1,0,0]=2
6  B7R1.4  O=C1NOC[C@H]1N D0356 [0,0,0,1,0,0|1,0,0]=2
7  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [0,0,0,1,0,0|1,0,1]=3
8  B7R1.18  OC([C@@H]1CCN1)=O A0051 [0,0,0,1,0,0|1,0,0]=2
9  B6R0.2  CC(O)CC([O-])=O H0080 [1,1,0,0,0,0|0,0,1]=3
10  B6R0.4  OC(CCCN)=O G0043 [1,1,0,0,0,0|1,0,0]=3
11  B6R0.5  O=S(O)(CCN)=O T0187 [1,1,0,0,0,0|2,0,0]=4
12  B8R0.23  O=C(O)[C@H](N)CC(O)=O A0326 [0,1,0,0,0,1|0,0,1]=3
13  B8R0.8  N[C@H](C(O)=O)CCSC M0524 [0,2,0,0,0,0|0,1,0]=3
14  B8R0.8  O=C(O)C(N)CCSC D0444 [0,2,0,0,0,0|0,1,0]=3
15  B8R0.37  C(C(C(=O)O)(F)F)(F)F F0086 [0,2,0,0,0,0|2,0,0]=4
16  B8R0.27  CC(C)(O)C(O)C([O-])=O S0055 [0,2,0,0,0,0|1,0,1]=4
17  B8R1.7  O=C(O)[C@H]1NCCC1 P0446 [0,1,0,1,0,0|1,0,0]=3