0  B3R0.1  C(C[O-])[O-] 2446 [1,0,0,0,0,0|1,0,1]=3
1  B5R0.1  C(CN)C(=O)O 0206 [0,1,0,0,0,0|1,0,1]=3
2  B5R0.1  C(CS(=O)O)N 0208 [0,1,0,0,0,0|2,0,0]=3
3  B5R0.1  CCCC(=O)[O-] 3850 [0,1,0,0,0,0|0,0,2]=3
4  B5R0.1  CCSC(=N)N 0873 [0,1,0,0,0,0|2,0,1]=4
5  B5R0.1  CNCC(=O)O 2975 [0,1,0,0,0,0|1,0,1]=3
6  B5R0.3  C(C(CO)O)O 5220 [0,1,0,0,0,0|1,0,0]=2
7  B4R0.1  C(C(=O)O)N 0219 [1,1,0,0,0,0|1,0,1]=4
8  B6R0.3  C([C@@H](C(=O)O)N)O 0227 [0,2,0,0,0,0|1,0,1]=4
9  B6R0.3  C([C@H](C(=O)O)N)O 0226 [0,2,0,0,0,0|1,0,1]=4
10  B6R0.4  C(CC(=O)O)CN 0344 [0,2,0,0,0,0|0,0,1]=3
11  B6R0.5  C(CS(=O)(=O)O)N 0209 [0,2,0,0,0,0|2,0,0]=4