0  B5R0.3  C(C(CO)O)O 5220 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  C(C(=O)O)N 0219 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.3  C([C@@H](C(=O)O)N)O 0227 [0,1,0,0,0,0|2,0,0]=3
3  B6R0.3  C([C@H](C(=O)O)N)O 0226 [0,1,0,0,0,0|2,0,0]=3
4  B3R0.1  C(C[O-])[O-] 2446 [2,0,0,0,0,0|1,0,1]=4
5  B3R0.2  CC(=O)[O-] 3159 [2,0,0,0,0,0|1,0,1]=4
6  B3R0.2  CS(=O)C 3176 [2,0,0,0,0,0|1,0,0]=3
7  B5R0.1  C(CN)C(=O)O 0206 [1,1,0,0,0,0|1,0,1]=4
8  B5R0.1  C(CS(=O)O)N 0208 [1,1,0,0,0,0|2,0,0]=4
9  B5R0.1  CCCC(=O)[O-] 3850 [1,1,0,0,0,0|1,0,1]=4
10  B5R0.1  CNCC(=O)O 2975 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.5  C(C(=O)[O-])(Cl)Cl 2755 [1,1,0,0,0,0|2,0,0]=4
12  B5R0.5  C[C@@H](C(=O)O)N 0205 [1,1,0,0,0,0|1,0,0]=3
13  B7R0.5  CNC[C@@H](C(=O)O)N 2538 [0,2,0,0,0,0|1,0,0]=3
14  B7R0.16  CC(C(=O)O)C(=O)O 4979 [0,2,0,0,0,0|1,0,1]=4