0  B13R2.10  NC1=CN(C2=CC=CC=C2)N=C1 B036523 [0,0,0,0,0,0|4,0,0]=4
1  B13R2.10  NC1=NC(C2=CC=CC=C2)=CS1 B000316 [0,0,0,0,0,0|0,1,2]=3
2  B13R2.10  NC1=NC(C2=CC=CC=N2)=CS1 B049714 [0,0,0,0,0,0|1,1,2]=4
3  B13R2.10  NC1=NC(C2=CC=NC=C2)=CS1 B050533 [0,0,0,0,0,0|1,1,2]=4
4  B13R2.10  NC1=NC(C2=CC=NC=C2)=NN1 B049603 [0,0,0,0,0,0|3,0,1]=4
5  B13R2.10  NC1=NC(C2=CN=CC=C2)=NN1 B050157 [0,0,0,0,0,0|3,0,1]=4
6  B13R2.10  NC1=NN=C(C2=CC=CC=C2)S1 B014342 [0,0,0,0,0,0|3,0,1]=4
7  B14R2.8  NCC1=CSC(C2=CC=CC=C2)=N1 B029457 [0,1,0,0,0,0|2,0,1]=4
8  B14R2.8  NCC1=NC(C2=CC=CC=C2)=NO1 B049095 [0,1,0,0,0,0|1,0,1]=3
9  B14R2.8  NCC1=NN(C2=CC=CC=C2)N=C1 B039532 [0,1,0,0,0,0|3,0,0]=4
10  B14R2.8  NNC1=NC(C2=CC=CC=C2)=CS1 B001427 [0,1,0,0,0,0|0,1,2]=4
11  B14R2.20  CC1=CC=C(C2=CSC(N)=N2)C=C1 B000327 [0,1,0,0,0,0|0,1,2]=4
12  B14R2.20  CC1=CC=C(C2=NOC(N)=C2)C=C1 B036463 [0,1,0,0,0,0|2,0,1]=4
13  B14R2.20  CC1=CC=C(C2=NOC(N)=C2)C=C1 B046274 [0,1,0,0,0,0|2,0,1]=4
14  B14R2.20  NC1=NC(C2=CC=C(Br)C=C2)=CS1 B000493 [0,1,0,0,0,0|0,1,2]=4
15  B14R2.20  NC1=NC(C2=CC=C(Cl)C=C2)=CS1 B000490 [0,1,0,0,0,0|0,1,2]=4
16  B14R2.20  NC1=NC(C2=CC=C(Cl)C=C2)=NN1 B049737 [0,1,0,0,0,0|2,0,1]=4
17  B14R2.20  NC1=NC(C2=CC=C(F)C=C2)=CS1 B000317 [0,1,0,0,0,0|0,1,2]=4
18  B14R2.20  NC1=NC(C2=CC=C(F)C=C2)=NN1 B050300 [0,1,0,0,0,0|2,0,1]=4
19  B14R2.22  NC1=NC(C2=CC=CC(Br)=C2)=CS1 B000319 [0,1,0,0,0,0|0,1,2]=4
20  B14R2.256  NC1=CC(C2=CC=CC=C2F)=NO1 B036462 [0,1,0,0,0,0|2,0,1]=4
21  B14R2.256  NC1=NC(C2=C(Cl)C=CC=C2)=CS1 B000318 [0,1,0,0,0,0|0,1,2]=4
22  B14R2.256  NC1=NC(C2=C(N)C=CC=C2)=NN1 B050299 [0,1,0,0,0,0|2,0,1]=4
23  B14R2.256  NC1=NC(C2=CC=CC=C2Br)=NN1 B048993 [0,1,0,0,0,0|2,0,1]=4
24  B14R2.256  NC1=NC(C2=CC=CC=C2F)=CS1 B050772 [0,1,0,0,0,0|0,1,2]=4
25  B14R2.256  NC1=NC(C2=CC=CC=C2I)=NN1 B048992 [0,1,0,0,0,0|2,0,1]=4
26  B14R2.598  CC1=C(C2=CC=CC=C2)N=C(N)S1 B000315 [0,1,0,0,0,0|0,1,2]=4
27  B14R2.598  NC1=NN(C2=CC=CC=C2)C(=O)C1 B051579 [0,1,0,0,0,0|2,0,1]=4
28  B14R2.598  NC1=NN(C2=CC=CC=C2)C(=S)N1 B049936 [0,1,0,0,0,0|2,0,1]=4
29  B14R2.19  NC1=NN(CC2=CC=CC=C2)C=C1 B014376 [0,0,0,0,0,1|2,0,1]=4
30  B14R2.19  NC1=NN(CC2=CC=CC=C2)C=N1 B018723 [0,0,0,0,0,1|2,0,1]=4
31  B11R1.16  CC(N=C=O)C1=CC=CC=C1 B028614 [1,0,1,0,0,0|0,0,2]=4
32  B13R1.14  COC(=O)CCC1=CC=C(Cl)C=C1 B050273 [0,1,1,0,0,0|2,0,0]=4
33  B15R2.15  NCC1=NC(CC2=CC=CC=C2)=NO1 B050446 [0,1,0,0,0,1|1,0,1]=4
34  B15R2.66  CNCC1=NC(C2=CC=CC=C2)=NO1 B036295 [0,2,0,0,0,0|1,0,1]=4
35  B15R2.66  NCCC1=NC(C2=CC=CC=C2)=NO1 B046328 [0,2,0,0,0,0|1,0,1]=4
36  B13R2.423  O=C(O)C1CC1C2=CC=CC=C2 B022610 [0,0,1,1,0,0|2,0,0]=4