0  B4R0.1  C(C(=O)O)N 0219 [1,0,0,0,0,0|1,0,1]=3
1  B4R0.1  CSC(=[NH2+])N 0776 [1,0,0,0,0,0|2,1,0]=4
2  B4R0.1  [O]OP(=O)=O 3150 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  [O]OP(=O)=O 5226 [1,0,0,0,0,0|3,0,0]=4
4  B3R0.2  C(=O)(N)N 5228 [2,0,0,0,0,0|2,0,0]=4
5  B3R0.2  C(=O)(O)[O-] 3152 [2,0,0,0,0,0|1,0,0]=3
6  B3R0.2  C(=O)([O-])[O-] 4740 [2,0,0,0,0,0|1,0,1]=4
7  B3R0.2  CC(=O)[O-] 3159 [2,0,0,0,0,0|1,0,0]=3
8  B3R0.2  CS(=O)C 3176 [2,0,0,0,0,0|1,0,1]=4
9  B5R0.1  C(CN)C(=O)O 0206 [1,1,0,0,0,0|0,0,2]=4
10  B5R0.1  CCCC(=O)[O-] 3850 [1,1,0,0,0,0|2,0,0]=4
11  B5R0.1  CNCC(=O)O 2975 [1,1,0,0,0,0|0,0,2]=4
12  B5R0.5  C[C@@H](C(=O)O)N 0205 [1,1,0,0,0,0|0,0,2]=4