0  B3R0.2  O=[N+]([O-])[O-] 21413 [0,0,0,0,0,0|2,0,1]=3
1  B2R0.1  Cl[Pd]Cl 21411 [1,0,0,0,0,0|3,0,0]=4
2  B2R0.1  N#C[S-] 22075 [1,0,0,0,0,0|1,1,1]=4
3  B2R0.1  [Na]S[Na] 19338 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.1  C=C(F)CBr 100838 [0,1,0,0,0,0|2,0,0]=3
5  B4R0.1  C=C(F)CO 100837 [0,1,0,0,0,0|1,0,1]=3
6  B4R0.1  CC(F)CO 9967 [0,1,0,0,0,0|1,0,1]=3
7  B4R0.1  NCC(=O)O 21671 [0,1,0,0,0,0|0,0,0]=1
8  B4R0.1  NNC(N)=S 22068 [0,1,0,0,0,0|2,1,0]=4
9  B4R0.3  CC(C)(F)F 9975 [0,1,0,0,0,0|2,0,1]=4
10  B4R0.3  O=Cl(=O)(=O)[O-] 21378 [0,1,0,0,0,0|2,0,1]=4
11  B4R0.3  O=Cl(=O)(=O)[O-] 21481 [0,1,0,0,0,0|2,0,1]=4
12  B4R0.3  O=Cl(=O)(=O)[O-] 22148 [0,1,0,0,0,0|2,0,1]=4
13  B4R0.3  O=Cl(=O)(=O)[O-] 22152 [0,1,0,0,0,0|2,0,1]=4
14  B1R0.1  [S-][S-] 19337 [2,0,0,0,0,0|0,2,0]=4
15  B3R0.1  CNNC 16369 [1,1,0,0,0,0|2,0,0]=4
16  B3R0.1  NCCN 21369 [1,1,0,0,0,0|1,0,1]=4
17  B3R0.1  NCCN 21544 [1,1,0,0,0,0|1,0,1]=4
18  B3R0.1  NCCS 21729 [1,1,0,0,0,0|0,1,1]=4
19  B3R0.1  OCCF 9966 [1,1,0,0,0,0|0,0,1]=3
20  B5R0.1  CC(F)CCO 9969 [0,2,0,0,0,0|1,0,1]=4
21  B5R0.1  C\C(Br)=C/CO 103149 [0,2,0,0,0,0|1,0,0]=3
22  B5R0.1  C\C(I)=C\CO 103135 [0,2,0,0,0,0|1,0,0]=3
23  B5R0.1  N#CCC(N)=O 462 [0,2,0,0,0,0|1,0,0]=3
24  B5R0.1  O=C(O)\C=C\I 103159 [0,2,0,0,0,0|0,0,1]=3
25  B5R0.3  COC(=O)NN 16671 [0,2,0,0,0,0|1,0,0]=3
26  B5R0.3  C\C=C(/F)CBr 100835 [0,2,0,0,0,0|2,0,0]=4
27  B5R0.3  C\C=C(/F)CO 100834 [0,2,0,0,0,0|1,0,0]=3
28  B5R0.3  NCC(=O)NO 456 [0,2,0,0,0,0|0,0,0]=2
29  B5R0.3  OC(CF)CF 9971 [0,2,0,0,0,0|1,0,1]=4
30  B5R0.3  OCC(Cl)CF 9968 [0,2,0,0,0,0|1,0,1]=4
31  B5R0.4  CC(C)(C)N=O 15082 [0,2,0,0,0,0|1,0,1]=4
32  B5R0.4  CC(C)(C)OCl 102264 [0,2,0,0,0,0|1,0,1]=4