0  B4R0.2  C=CCC=C 102032 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.2  CC[Zn]CC 105051 [0,0,0,0,0,0|2,0,1]=3
2  B3R0.1  C#CCC 009072 [1,0,0,0,0,0|1,0,1]=3
3  B3R0.1  C=CC=O 103755 [1,0,0,0,0,0|0,0,2]=3
4  B3R0.1  CNNC 371949 [1,0,0,0,0,0|2,0,1]=4
5  B3R0.1  O=CCBr 105198 [1,0,0,0,0,0|1,0,0]=2
6  B5R0.1  C=COC(=O)Cl 101273 [0,1,0,0,0,0|0,0,2]=3
7  B5R0.1  CCCS(=O)[O-] 035598 [0,1,0,0,0,0|2,0,0]=3
8  B5R0.1  C\C=N\N(C)C 101274 [0,1,0,0,0,0|3,0,0]=4
9  B5R0.1  NC(=O)NCO 101312 [0,1,0,0,0,0|2,0,0]=3
10  B5R0.1  NC(=O)\C=C\Cl 180013 [0,1,0,0,0,0|2,0,1]=4
11  B5R0.1  O=C(O)\C=C\Cl 180014 [0,1,0,0,0,0|2,0,1]=4
12  B5R0.2  C#CCCCBr 099558 [0,1,0,0,0,0|2,0,1]=4
13  B5R0.2  C=CCCCCl 097807 [0,1,0,0,0,0|2,0,0]=3
14  B5R0.2  CC\C=C\CBr 104983 [0,1,0,0,0,0|2,0,0]=3
15  B5R1.1  C1CCNC1 106070 [0,0,0,1,0,0|2,0,1]=4
16  B5R1.1  C1CCOC1 102404 [0,0,0,1,0,0|1,0,1]=3
17  B5R1.3  SCC1CC1 099822 [0,0,0,1,0,0|1,1,1]=4
18  B5R1.3  [C-]#[N+]C1CC1 021033 [0,0,0,1,0,0|3,0,0]=4
19  B2R0.1  C[Zn]Cl 102551 [2,0,0,0,0,0|2,0,0]=4
20  B2R0.1  ClCCl 102413 [2,0,0,0,0,0|2,0,0]=4
21  B2R0.1  O=S=O 099645 [2,0,0,0,0,0|1,0,1]=4
22  B2R0.1  [C-]#[N+]C 477126 [2,0,0,0,0,0|1,0,1]=4
23  B4R0.1  C=NN(C)C 062220 [1,1,0,0,0,0|2,0,0]=4
24  B4R0.1  O=CC(Cl)Cl 103095 [1,1,0,0,0,0|1,0,0]=3
25  B4R0.1  [2H]OC([2H])=O 102711 [1,1,0,0,0,0|1,0,0]=3
26  B4R0.1  [C-]#[N+]C(C)C 480961 [1,1,0,0,0,0|1,0,1]=4
27  B6R0.1  CNC(=O)CCCl 310786 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.3  O=C(O)C(=O)CF 104062 [0,2,0,0,0,0|2,0,0]=4
29  B6R0.4  CCCCS(=O)[O-] 044582 [0,2,0,0,0,0|1,0,1]=4
30  B6R0.4  COCNC(N)=O 101307 [0,2,0,0,0,0|1,0,0]=3
31  B6R0.4  NCCCC(N)=O 373559 [0,2,0,0,0,0|1,0,0]=3
32  B6R0.4  O=C=NCC(F)F 214429 [0,2,0,0,0,0|1,0,1]=4
33  B6R0.6  C=CCCCNC 104140 [0,2,0,0,0,0|2,0,0]=4
34  B6R0.6  CCOCCNC 104271 [0,2,0,0,0,0|1,0,1]=4
35  B6R1.2  BrC1CCOC1 079615 [0,1,0,1,0,0|1,0,1]=4
36  B6R1.2  CC1CCCO1 105578 [0,1,0,1,0,0|1,0,1]=4
37  B6R1.2  O=C1OCCO1 075946 [0,1,0,1,0,0|0,0,0]=2
38  B6R1.1  C1=NCCCC1 403930 [0,1,0,1,0,0|2,0,0]=4