0  B4R0.1  C(C(=O)O)N 0219 [0,0,0,0,0,0|2,0,1]=3
1  B3R0.1  C(C[O-])[O-] 2446 [1,0,0,0,0,0|0,0,2]=3
2  B3R0.2  B(O)(O)O 3177 [1,0,0,0,0,0|2,0,0]=3
3  B3R0.2  C(=O)(O)[O-] 3152 [1,0,0,0,0,0|1,0,2]=4
4  B3R0.2  CC(=O)[O-] 3159 [1,0,0,0,0,0|0,0,3]=4
5  B3R0.2  CS(=O)C 3176 [1,0,0,0,0,0|1,0,1]=3
6  B5R0.1  C(CN)C(=O)O 0206 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.1  C(CS(=O)O)N 0208 [0,1,0,0,0,0|3,0,0]=4
8  B5R0.1  CNCC(=O)O 2975 [0,1,0,0,0,0|2,0,1]=4
9  B5R0.3  C(C(CO)O)O 5220 [0,1,0,0,0,0|0,0,0]=1
10  B5R0.5  C[C@@H](C(=O)O)N 0205 [0,1,0,0,0,0|1,0,1]=3
11  B6R0.3  C([C@@H](C(=O)O)N)O 0227 [0,2,0,0,0,0|1,0,0]=3
12  B6R0.3  C([C@H](C(=O)O)N)O 0226 [0,2,0,0,0,0|1,0,0]=3
13  B6R0.4  C(\C=C\C(=O)O)O 0538 [0,2,0,0,0,0|1,0,1]=4