0  B10R1.17  CCCCC1=CC=CC=N1 180367 [0,0,0,0,0,0|3,0,1]=4
1  B10R1.17  N#CCCC1=CC=NC=C1 024695 [0,0,0,0,0,0|3,0,1]=4
2  B10R1.17  O\N=C\CC1=CC=CC=C1 180100 [0,0,0,0,0,0|2,1,0]=3
3  B9R1.8  CCC[N+]1=CC=CC=C1 243010 [1,0,0,0,0,0|2,0,1]=4
4  B9R1.8  N#CC[N+]1=CC=CC=C1 181003 [1,0,0,0,0,0|2,0,1]=4
5  B9R1.8  O=C=NC1=CC=CN=C1 022077 [1,0,0,0,0,0|1,1,0]=3
6  B9R1.8  S=C=NC1=NC=CC=C1 101031 [1,0,0,0,0,0|1,0,0]=2
7  B11R1.1  CCCCC1=CC=C(S)C=C1 023116 [0,1,0,0,0,0|2,0,1]=4
8  B11R1.1  CC\N=C\C1=CC=C(C)C=C1 180176 [0,1,0,0,0,0|1,0,2]=4
9  B11R1.1  OCCCC1=CC=C(O)C=C1 209107 [0,1,0,0,0,0|1,1,1]=4
10  B11R1.28  CCCSCC1=CC=CC=C1 094802 [0,1,0,0,0,0|2,0,1]=4
11  B11R1.28  COCCOC1=CC=CC=C1 336003 [0,1,0,0,0,0|3,0,0]=4
12  B11R1.40  CC[C@H](N)CC1=CC=CC=C1 048350 [0,1,0,0,0,0|2,0,1]=4
13  B11R1.91  CC(C)SCC1=CC=CC=C1 095090 [0,1,0,0,0,0|2,0,1]=4
14  B11R1.91  NC(=S)NCC1=CC=CN=C1 025062 [0,1,0,0,0,0|1,0,2]=4
15  B11R2.1  BrC1=NNC2=C1C=CC=C2 079923 [0,0,0,1,0,0|2,0,1]=4
16  B10R1.4  CNCC1=CC=CC=C1Cl 060304 [1,1,0,0,0,0|0,0,2]=4
17  B10R1.10  C=CCC1=CC(Br)=CC=C1 200068 [1,1,0,0,0,0|1,0,1]=4
18  B10R1.10  CC1=CC=CC(CCBr)=C1 020899 [1,1,0,0,0,0|1,0,1]=4
19  B10R1.10  CNCC1=CC=CC(Cl)=C1 222557 [1,1,0,0,0,0|0,0,2]=4
20  B10R1.10  [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [1,1,0,0,0,0|0,0,2]=4
21  B10R1.10  [N-]=[N+]=NC1=CC(Cl)=CC=C1 101265 [1,1,0,0,0,0|2,0,0]=4
22  B10R1.15  C\C(=N\O)C1=CC=CC=C1 184803 [1,1,0,0,0,0|0,1,1]=4
23  B10R1.15  OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|1,0,1]=4
24  B10R1.15  [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|0,0,2]=4
25  B12R1.69  FC1=CC(F)=C(CN=C=S)C=C1 034874 [0,2,0,0,0,0|0,0,0]=2
26  B12R1.1631  FC1=C(CN=C=S)C(Cl)=CC=C1 037312 [0,2,0,0,0,0|0,0,0]=2
27  B10R2.7  C1=CC2=C(C=C1)[N-]N=N2 180580 [1,0,0,1,0,0|2,0,0]=4