0  B4R0.1  CC(=O)CN AC511171 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.1  CC(=O)NN AC130308 [0,0,0,0,0,0|3,1,0]=4
2  B4R0.1  CC(=O)NO AC130286 [0,0,0,0,0,0|2,1,1]=4
3  B4R0.1  CC(=O)NO HY-B1235 [0,0,0,0,0,0|2,1,1]=4
4  B4R0.1  NC(=O)CBr AC500017 [0,0,0,0,0,0|4,0,0]=4
5  B4R0.1  NC(=O)NO HY-B0313 [0,0,0,0,0,0|2,1,1]=4
6  B4R0.1  NCC(N)=O AC511550 [0,0,0,0,0,0|4,0,0]=4
7  B4R0.1  NNC(N)=O AC131764 [0,0,0,0,0,0|3,1,0]=4
8  B3R0.2  CC(=O)[O-] LN00194400 [1,0,0,0,0,0|2,0,1]=4
9  B3R0.2  CC([O-])=O AC180064 [1,0,0,0,0,0|2,0,1]=4
10  B3R0.2  CC([O-])=O AC180277 [1,0,0,0,0,0|2,0,1]=4
11  B3R0.2  CC([O-])=O AC511050 [1,0,0,0,0,0|2,0,1]=4
12  B3R0.2  CP(C)=O AC130246 [1,0,0,0,0,0|2,1,0]=4
13  B5R0.3  BrC(C=O)C=O AC181018 [0,1,0,0,0,0|3,0,0]=4
14  B5R0.4  CCS(N)(=O)=O AC181603 [0,1,0,0,0,0|3,0,0]=4
15  B5R0.4  CNS(=O)(=O)N LN01477704 [0,1,0,0,0,0|2,1,0]=4
16  B5R0.4  COS(C)(=O)=O AC511052 [0,1,0,0,0,0|3,0,0]=4
17  B5R0.4  CSS(C)(=O)=O AC280012 [0,1,0,0,0,0|3,0,0]=4
18  B5R0.4  NOS(O)(=O)=O AC130279 [0,1,0,0,0,0|3,0,0]=4
19  B5R0.5  CC(=O)C(O)=O AC500188 [0,1,0,0,0,0|2,0,1]=4
20  B4R0.3  O=[Mo-2](=O)(=O)=O HY-D0851 [1,1,0,0,0,0|1,0,0]=3
21  B4R0.3  OS(O)(=O)=O AC500295 [1,1,0,0,0,0|1,0,1]=4