0  B3R0.1  C#CCC 009072 [0,0,0,0,0,0|1,0,3]=4
1  B3R0.1  C=CC=O 103755 [0,0,0,0,0,0|0,0,0]=0
2  B3R0.1  CNNC 371949 [0,0,0,0,0,0|3,0,1]=4
3  B3R0.1  O=CCBr 105198 [0,0,0,0,0,0|1,0,1]=2
4  B2R0.1  C[Zn]Cl 102551 [1,0,0,0,0,0|2,0,1]=4
5  B2R0.1  ClCCl 102413 [1,0,0,0,0,0|2,0,1]=4
6  B2R0.1  F[Xe]F 003343 [1,0,0,0,0,0|3,0,0]=4
7  B2R0.1  O=S=O 099645 [1,0,0,0,0,0|2,0,0]=3
8  B2R0.1  [C-]#[N+]C 477126 [1,0,0,0,0,0|1,0,2]=4
9  B4R0.1  C=NN(C)C 062220 [0,1,0,0,0,0|3,0,0]=4
10  B4R0.1  O=CC(Cl)Cl 103095 [0,1,0,0,0,0|1,0,1]=3
11  B4R0.1  [2H]OC([2H])=O 102711 [0,1,0,0,0,0|2,0,0]=3
12  B4R0.2  C=CCC=C 102032 [0,1,0,0,0,0|1,0,0]=2
13  B1R0.1  ClCl 099142 [2,0,0,0,0,0|2,0,0]=4
14  B1R0.1  [2H][2H] 104155 [2,0,0,0,0,0|2,0,0]=4
15  B1R0.1  [H][H] 101507 [2,0,0,0,0,0|2,0,0]=4
16  B3R0.2  O=[N+]([O-])O 102497 [1,1,0,0,0,0|2,0,0]=4
17  B3R0.2  O=[N+]([O-])[O-] 195368 [1,1,0,0,0,0|2,0,0]=4
18  B3R0.2  S=C([S-])[S-] 099620 [1,1,0,0,0,0|1,1,0]=4
19  B5R0.1  C=COC(=O)Cl 101273 [0,2,0,0,0,0|0,0,0]=2
20  B5R0.1  NC(=O)NCO 101312 [0,2,0,0,0,0|1,0,1]=4
21  B5R0.1  NC(=O)\C=C\Cl 180013 [0,2,0,0,0,0|0,0,0]=2
22  B5R0.1  O=C(O)\C=C\Cl 180014 [0,2,0,0,0,0|0,0,0]=2
23  B5R0.5  C[C@H](N)C(N)=O 094668 [0,2,0,0,0,0|0,0,2]=4
24  B5R0.2  C=CCCCCl 097807 [0,2,0,0,0,0|1,0,1]=4
25  B5R0.2  CC\C=C\CBr 104983 [0,2,0,0,0,0|1,0,1]=4
26  B5R1.1  C1=CN[NH+]=C1 180087 [0,1,0,1,0,0|1,0,0]=3