0  B3R0.1  C(C[O-])[O-] 2446 [1,0,0,0,0,0|1,0,2]=4
1  B3R0.2  C(=O)(N)N 5228 [1,0,0,0,0,0|2,0,1]=4
2  B3R0.2  C(=O)(O)[O-] 3152 [1,0,0,0,0,0|2,0,1]=4
3  B3R0.2  C(=O)([O-])[O-] 4740 [1,0,0,0,0,0|2,0,1]=4
4  B3R0.2  CC(=O)[O-] 3159 [1,0,0,0,0,0|1,0,1]=3
5  B3R0.2  CS(=O)C 3176 [1,0,0,0,0,0|1,0,0]=2
6  B5R0.3  C(C(CO)O)O 5220 [0,1,0,0,0,0|1,0,2]=4
7  B5R0.5  C(C(=O)[O-])(Cl)Cl 2755 [0,1,0,0,0,0|2,0,0]=3
8  B5R0.5  C[C@@H](C(=O)O)N 0205 [0,1,0,0,0,0|1,0,0]=2
9  B6R0.2  CC(C)SC(=N)N 0897 [0,2,0,0,0,0|1,0,0]=3
10  B6R0.3  C([C@@H](C(=O)O)N)O 0227 [0,2,0,0,0,0|1,0,0]=3
11  B6R0.3  C([C@H](C(=O)O)N)O 0226 [0,2,0,0,0,0|1,0,0]=3