0  B5R0.5  C(C(=O)[O-])(Cl)Cl 2755 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.5  C[C@@H](C(=O)O)N 0205 [0,0,0,0,0,0|1,0,0]=1
2  B4R0.1  C(C(=O)O)N 0219 [1,0,0,0,0,0|1,0,0]=2
3  B4R0.1  CSC(=[NH2+])N 0776 [1,0,0,0,0,0|3,0,0]=4
4  B6R0.3  C([C@@H](C(=O)O)N)O 0227 [0,1,0,0,0,0|1,0,0]=2
5  B6R0.3  C([C@H](C(=O)O)N)O 0226 [0,1,0,0,0,0|1,0,0]=2
6  B6R0.2  CC(C)SC(=N)N 0897 [0,0,0,0,0,1|3,0,0]=4
7  B3R0.2  B(O)(O)O 3177 [2,0,0,0,0,0|1,0,1]=4
8  B3R0.2  C(=O)(N)N 5228 [2,0,0,0,0,0|2,0,0]=4
9  B3R0.2  C(=O)(O)[O-] 3152 [2,0,0,0,0,0|0,0,1]=3
10  B3R0.2  C(=O)([O-])[O-] 4740 [2,0,0,0,0,0|0,0,2]=4
11  B3R0.2  CC(=O)[O-] 3159 [2,0,0,0,0,0|0,0,1]=3
12  B3R0.2  CS(=O)C 3176 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.1  C(CN)C(=O)O 0206 [1,1,0,0,0,0|0,0,0]=2
14  B5R0.1  C(CS(=O)O)N 0208 [1,1,0,0,0,0|1,0,0]=3
15  B5R0.1  CCCC(=O)[O-] 3850 [1,1,0,0,0,0|0,0,1]=3
16  B5R0.1  CCSC(=N)N 0873 [1,1,0,0,0,0|2,0,0]=4
17  B5R0.1  CNCC(=O)O 2975 [1,1,0,0,0,0|0,0,0]=2
18  B5R0.3  C(C(CO)O)O 5220 [1,1,0,0,0,0|0,0,1]=3
19  B7R0.16  CC(C(=O)O)C(=O)O 4979 [0,1,0,0,0,1|1,0,1]=4
20  B7R0.5  CNC[C@@H](C(=O)O)N 2538 [0,2,0,0,0,0|1,0,0]=3
21  B7R0.10  C([C@H]([C@@H](CS)O)O)S 3154 [0,2,0,0,0,0|0,1,1]=4