0  B7R1.3  NC1=CC=NC=C1 c08484 [0,0,0,0,0,0|0,0,0]=0
1  B8R1.2  N#CC1=CC=CN=C1 c08847 [0,1,0,0,0,0|2,0,1]=4
2  B8R1.3  CC1=CC=C(I)C=C1 a06235 [0,1,0,0,0,0|2,0,0]=3
3  B8R1.4  BrC1=CC=CC(Br)=N1 c08614 [0,1,0,0,0,0|3,0,0]=4
4  B8R1.4  CC1=CC(N)=NC=C1 c08163 [0,1,0,0,0,0|1,0,0]=2
5  B8R1.4  OC1=CC=CC(O)=N1 c08627 [0,1,0,0,0,0|3,0,0]=4
6  B8R1.5  C[N+]1=C(I)C=CC=C1 a01511 [0,1,0,0,0,0|3,0,0]=4
7  B6R1.2  CC1=NC=CN1 c08341 [0,0,0,0,1,0|3,0,0]=4
8  B6R1.2  NC1=NC=CN1 e00621 [0,0,0,0,1,0|2,0,0]=3
9  B7R1.1  Cl[Hg]C1=CC=CO1 a01510 [0,1,0,0,1,0|2,0,0]=4
10  B7R1.1  NCC1=CSC=C1 a02714 [0,1,0,0,1,0|1,0,0]=3
11  B7R1.2  CC1=CC(N)=NO1 e00676 [0,1,0,0,1,0|2,0,0]=4
12  B7R1.2  CC1=NNC(O)=C1 a07322 [0,1,0,0,1,0|2,0,0]=4
13  B7R1.4  NC1=NON=C1N a05068 [0,1,0,0,1,0|2,0,0]=4
14  B9R1.1  OCC1=CC=C(O)C=C1 c08578 [0,2,0,0,0,0|2,0,0]=4
15  B9R1.2  NNC1=NC(Cl)=NC=C1 e00622 [0,2,0,0,0,0|1,0,0]=3
16  B9R1.6  CC(=O)C1=CC=CC=C1 c08846 [0,2,0,0,0,0|2,0,0]=4
17  B9R1.6  NC(=O)C1=CC=CC=C1 a03942 [0,2,0,0,0,0|1,0,0]=3
18  B9R1.6  NC(=S)C1=NC=CC=C1 a01427 [0,2,0,0,0,0|2,0,0]=4
19  B9R1.6  O=C(O)C1=CC=CC=C1 e00688 [0,2,0,0,0,0|2,0,0]=4
20  B9R1.6  OB(O)C1=CC=CC=C1 c00853 [0,2,0,0,0,0|2,0,0]=4
21  B9R1.69  CC1=C(N)C=C(N)C=C1 a09035 [0,2,0,0,0,0|1,0,0]=3
22  B9R1.69  CC1=C(N)C=CC(I)=C1 e00843 [0,2,0,0,0,0|1,0,0]=3
23  B9R1.69  CC1=C(O)C=CC(Br)=C1 a00144 [0,2,0,0,0,0|2,0,0]=4
24  B9R1.69  CC1=CC(=O)C=CC1=O a03614 [0,2,0,0,0,0|2,0,0]=4
25  B9R1.69  CC1=CC=C(Br)C(C)=C1 a03938 [0,2,0,0,0,0|2,0,0]=4
26  B9R1.69  NC1=CC=C(Br)C(Cl)=C1 c07779 [0,2,0,0,0,0|1,0,0]=3
27  B9R1.69  OC1=C(Br)C=C(Cl)C=C1 c01122 [0,2,0,0,0,0|2,0,0]=4
28  B9R1.69  OC1=CC=C(Br)C=C1Br m09466 [0,2,0,0,0,0|2,0,0]=4
29  B9R1.69  OC1=CC=C(Br)C=C1Cl a03355 [0,2,0,0,0,0|2,0,0]=4
30  B9R1.34  CC1=NC(N)=NC(O)=C1 c07798 [0,2,0,0,0,0|2,0,0]=4
31  B9R1.34  NC1=CC(=O)NC(=O)N1 c08333 [0,2,0,0,0,0|1,0,1]=4
32  B9R1.34  NC1=NC(O)=CC(O)=N1 c07219 [0,2,0,0,0,0|2,0,0]=4