0  B10R1.20  CCC1=CC=CC=C1CC M10005067P [1,0,0,0,0,0|2,0,0]=3
1  B10R1.20  CCC1=NC=CN=C1OC M10190762P [1,0,0,0,0,0|1,0,0]=2
2  B10R1.20  OCC1=NC=CC=C1CO M10877017P [1,0,0,0,0,0|3,0,0]=4
3  B10R1.25  CC1=CC(Br)=CN=C1OC M10951361P [1,0,0,0,0,0|3,0,0]=4
4  B10R1.25  CC1=CN=C(CC)C(C)=N1 M10127477P [1,0,0,0,0,0|0,0,0]=1
5  B10R1.25  NCC1=CC=C(C)C=C1C M10002353P [1,0,0,0,0,0|3,0,0]=4
6  B10R1.25  OCC1=CC=C(C)C=C1C M10142035P [1,0,0,0,0,0|3,0,0]=4
7  B10R1.30  CC1=CC=C(C)C(CCl)=C1 M10021416P [1,0,0,0,0,0|3,0,0]=4
8  B10R1.30  COC1=NC(Br)=CN=C1Cl M10565199P [1,0,0,0,0,0|3,0,0]=4
9  B10R1.30  OC1=CC=C(C)N=C1CC M10122199P [1,0,0,0,0,0|2,0,0]=3
10  B10R1.30  OC1=CC=C(C)N=C1CC M10725655P [1,0,0,0,0,0|2,0,0]=3
11  B12R2.24  CC1=NC2=C(CCCC2)C=C1 M10046008P [0,0,0,1,0,0|1,0,0]=2
12  B12R2.612  NC1CCC2=C1C=CC(C)=C2 M10797512P [0,0,0,1,0,0|3,0,0]=4
13  B9R1.15  COC1=NC=CN=C1Cl M10241827P [2,0,0,0,0,0|2,0,0]=4
14  B9R1.15  CSC1=NC=CN=C1C M10428474P [2,0,0,0,0,0|1,0,0]=3
15  B9R1.15  NCC1=NC=CN=C1Cl M10007725P [2,0,0,0,0,0|2,0,0]=4
16  B9R1.1  CC1=CN=C(CCl)C=C1 M10020245P [2,0,0,0,0,0|2,0,0]=4
17  B9R1.1  CC1=NC=C(CBr)C=C1 M10944411P [2,0,0,0,0,0|2,0,0]=4
18  B9R1.1  CC1=NC=C(CCl)C=C1 M10664175P [2,0,0,0,0,0|2,0,0]=4
19  B9R1.1  CCC1=NC=C(Br)C=C1 M10237559P [2,0,0,0,0,0|2,0,0]=4
20  B9R1.1  CSC1=CN=C(Br)C=N1 M11096900P [2,0,0,0,0,0|2,0,0]=4
21  B9R1.1  NC1=CC=C(CC)N=C1 M10723729P [2,0,0,0,0,0|2,0,0]=4
22  B9R1.1  OCC1=CC=C(C)N=C1 M10222716P [2,0,0,0,0,0|2,0,0]=4
23  B9R1.69  CC1=CN=C(Br)C(C)=C1 M10612808P [2,0,0,0,0,0|2,0,0]=4
24  B9R1.69  NC1=NC(C)=CN=C1C M10121012P [2,0,0,0,0,0|1,0,0]=3
25  B9R1.69  NC1=NC(C)=CN=C1Cl M10560908P [2,0,0,0,0,0|2,0,0]=4
26  B9R1.69  NC1=NC=C(C)C=C1C M10247503P [2,0,0,0,0,0|2,0,0]=4
27  B9R1.69  NC1=NC=C(C)N=C1Br M10455195P [2,0,0,0,0,0|2,0,0]=4
28  B9R1.2  CC1=CC=CC(CC)=N1 M10027285P [2,0,0,0,0,0|1,0,0]=3
29  B9R1.2  CC1=CN=CC(CCl)=C1 M11092291P [2,0,0,0,0,0|2,0,0]=4
30  B9R1.2  CC1=CN=CC(NN)=N1 M10162979P [2,0,0,0,0,0|2,0,0]=4
31  B9R1.2  NC1=NC(OC)=CN=C1 M10097094P [2,0,0,0,0,0|2,0,0]=4
32  B9R1.2  NCC1=NC(C)=CC=C1 M10094154P [2,0,0,0,0,0|2,0,0]=4
33  B11R1.53  COC1=NC=CN=C1C(C)C M10191291P [1,1,0,0,0,0|1,0,0]=3
34  B11R1.277  CC1=C(C)N=C(C)C(CBr)=N1 M10474121P [1,1,0,0,0,0|1,0,0]=3
35  B11R1.277  O=CC1=NC(C)=C(C)N=C1C M10815573P [1,1,0,0,0,0|1,0,1]=4
36  B11R1.277  OCC1=NC(C)=C(C)N=C1C M10461399P [1,1,0,0,0,0|1,0,0]=3
37  B11R1.167  O=C(C1=NC(C)=CN=C1C)O M10043888P [1,1,0,0,0,0|1,0,1]=4
38  B11R2.1  NC1CCC2=CC=CN=C21 M10109508P [1,0,0,1,0,0|2,0,0]=4
39  B11R2.20  C12=C(N=CC=N1)CCCC2 M10223803P [1,0,0,1,0,0|0,0,0]=2
40  B11R2.20  C12=NC=CC=C1NCCC2 M10127936P [1,0,0,1,0,0|2,0,0]=4
41  B11R2.36  BrC1=CN=C2C(CCC2)=C1 M10786314P [1,0,0,1,0,0|2,0,0]=4
42  B9R1.22  CC1=CC(C)=NN1CC M10150613P [1,0,0,0,1,0|2,0,0]=4
43  B9R1.22  OCC1=C(C)OC(C)=N1 M10612235P [1,0,0,0,1,0|2,0,0]=4
44  B9R1.27  CC1=C(CCl)C(C)=NO1 M10162583P [1,0,0,0,1,0|2,0,0]=4
45  B9R1.27  CC1=CNC(C)=C1CC M10012904P [1,0,0,0,1,0|0,0,1]=3