0  B3R0.2  B(O)(O)O 3177 [0,0,0,0,0,0|2,0,1]=3
1  B3R0.2  C(=N)(N)N 5221 [0,0,0,0,0,0|3,0,0]=3
2  B3R0.2  C(=O)(N)N 5228 [0,0,0,0,0,0|2,0,0]=2
3  B3R0.2  C(=O)(O)[O-] 3152 [0,0,0,0,0,0|1,0,0]=1
4  B3R0.2  C(=O)([O-])[O-] 4740 [0,0,0,0,0,0|1,0,1]=2
5  B3R0.2  CC(=O)[O-] 3159 [0,0,0,0,0,0|0,0,1]=1
6  B3R0.2  CS(=O)C 3176 [0,0,0,0,0,0|2,0,0]=2
7  B3R0.2  Cl[Gd](Cl)Cl 4741 [0,0,0,0,0,0|4,0,0]=4
8  B2R0.1  Cl[Ca]Cl 3148 [1,0,0,0,0,0|3,0,0]=4
9  B2R0.1  Cl[Sr]Cl 4749 [1,0,0,0,0,0|3,0,0]=4
10  B4R0.1  C(=N)(N)NN 0787 [0,1,0,0,0,0|3,0,0]=4
11  B4R0.1  C(C(=O)O)N 0219 [0,1,0,0,0,0|0,0,0]=1
12  B4R0.1  CSC(=[NH2+])N 0776 [0,1,0,0,0,0|2,0,0]=3
13  B4R0.1  [O]OP(=O)=O 3150 [0,1,0,0,0,0|2,0,0]=3
14  B4R0.1  [O]OP(=O)=O 5226 [0,1,0,0,0,0|2,0,0]=3
15  B4R0.3  [O-][V](=O)([O-])[O-] 2821 [0,1,0,0,0,0|2,0,1]=4
16  B4R0.3  [O-][W](=O)(=O)[O-] 2689 [0,1,0,0,0,0|2,0,1]=4
17  B1R0.1  Cl[Cs] 4739 [2,0,0,0,0,0|2,0,0]=4
18  B1R0.1  Cl[K] 3147 [2,0,0,0,0,0|2,0,0]=4
19  B1R0.1  [Na]Cl 3146 [2,0,0,0,0,0|2,0,0]=4
20  B3R0.1  C(C[O-])[O-] 2446 [1,1,0,0,0,0|0,0,2]=4
21  B5R0.1  C(CN)C(=O)O 0206 [0,2,0,0,0,0|0,0,0]=2
22  B5R0.1  C(CS(=O)O)N 0208 [0,2,0,0,0,0|1,0,0]=3
23  B5R0.1  CCCC(=O)[O-] 3850 [0,2,0,0,0,0|0,0,1]=3
24  B5R0.1  CCSC(=N)N 0873 [0,2,0,0,0,0|2,0,0]=4
25  B5R0.1  CNCC(=O)O 2975 [0,2,0,0,0,0|0,0,0]=2
26  B5R0.3  C(C(CO)O)O 5220 [0,2,0,0,0,0|0,0,2]=4
27  B5R0.5  C(C(=O)[O-])(Cl)Cl 2755 [0,2,0,0,0,0|0,0,1]=3
28  B5R0.5  C[C@@H](C(=O)O)N 0205 [0,2,0,0,0,0|0,0,0]=2