0  B9R1.69  CC1=NN=C(S)NC1=O B049263 [0,0,0,0,0,0|3,1,0]=4
1  B9R1.69  NC1=CC(Br)=C(F)C=C1 B049228 [0,0,0,0,0,0|4,0,0]=4
2  B9R1.69  NC1=CC(N)=C(N)C=C1 B050159 [0,0,0,0,0,0|4,0,0]=4
3  B8R1.3  BrC1=CC=C(I)C=N1 B050029 [1,0,0,0,0,0|2,1,0]=4
4  B8R1.3  CC1=CN=C(O)N=C1 B038992 [1,0,0,0,0,0|1,0,2]=4
5  B8R1.3  CC1=CN=C(S)N=C1 B016326 [1,0,0,0,0,0|1,1,1]=4
6  B8R1.3  CC1=CN=C(S)N=C1 B029371 [1,0,0,0,0,0|1,1,1]=4
7  B8R1.3  ClC1=CC=C(Br)C=N1 B050028 [1,0,0,0,0,0|2,1,0]=4
8  B8R1.3  ClC1=CC=C(I)C=N1 B050030 [1,0,0,0,0,0|2,1,0]=4
9  B8R1.4  BrC1=CC(I)=CC=N1 B050026 [1,0,0,0,0,0|3,0,0]=4
10  B8R1.4  BrC1=CC=NC(Br)=C1 B050031 [1,0,0,0,0,0|3,0,0]=4
11  B8R1.4  ClC1=CC=NC(Cl)=C1 B050033 [1,0,0,0,0,0|3,0,0]=4
12  B8R1.4  FC1=CC=NC(Cl)=C1 B050032 [1,0,0,0,0,0|3,0,0]=4
13  B8R1.5  NC1=C(Br)C=CC=N1 B049992 [1,0,0,0,0,0|1,1,1]=4
14  B10R1.25  N#CC1=C(N)N=C(N)N=C1 B049002 [0,1,0,0,0,0|2,0,1]=4
15  B10R1.25  N#CC1=CN=C(S)N=C1N B030595 [0,1,0,0,0,0|1,1,1]=4
16  B10R1.25  N#CC1=CNC(=O)N=C1N B049654 [0,1,0,0,0,0|1,0,2]=4
17  B8R1.50  CC1=C(N)N(C)N=C1 B051840 [0,0,0,0,1,0|3,0,0]=4
18  B8R1.50  CC1=C(N)N(C)N=C1 B051841 [0,0,0,0,1,0|3,0,0]=4
19  B8R1.50  CC1=NNC(C)=C1N B018722 [0,0,0,0,1,0|3,0,0]=4
20  B8R1.50  CC1=NOC(C)=C1N B029429 [0,0,0,0,1,0|3,0,0]=4
21  B8R1.50  CN1N=CC(I)=C1N B051675 [0,0,0,0,1,0|2,1,0]=4
22  B9R1.2  CC1=NC=CC(CN)=N1 B059729 [1,1,0,0,0,0|1,0,1]=4
23  B9R1.15  NC1=C(C=O)C=NC=C1 B050347 [1,1,0,0,0,0|2,0,0]=4
24  B7R1.4  CC1=NNC=C1N B020740 [1,0,0,0,1,0|2,0,0]=4
25  B7R1.4  CC1=NNC=C1N B047500 [1,0,0,0,1,0|2,0,0]=4
26  B7R1.4  CN1N=CC=C1N B024266 [1,0,0,0,1,0|2,0,0]=4
27  B7R1.4  CN1N=CC=C1N B029997 [1,0,0,0,1,0|2,0,0]=4
28  B7R1.4  NC1=CNN=C1N B036753 [1,0,0,0,1,0|2,0,0]=4