0  B11R1.37  CCC1=CC(=O)NN=C1CC F1911-2965 [0,0,0,0,0,0|3,0,0]=3
1  B11R1.37  CNC1=C(OC)C=NC(C)=N1 F2147-1560 [0,0,0,0,0,0|4,0,0]=4
2  B10R1.20  C#CC1=C(OC)N=CC=N1 F8885-4902 [1,0,0,0,0,0|1,0,2]=4
3  B10R1.20  COC1=CC=CN=C1CN F2147-1532 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.25  CCC1=C(C)C=C(N)N=N1 F8883-3485 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.30  C#CC1=NC(C)=CN=C1C F2197-7960 [1,0,0,0,0,0|0,0,2]=3
6  B12R1.57  CC1=CN=C(C(F)F)C(CN)=C1 F1913-0535 [0,1,0,0,0,0|3,0,0]=4
7  B12R1.57  CC1=CN=C(C(F)F)C(CO)=C1 F1913-0534 [0,1,0,0,0,0|3,0,0]=4
8  B12R1.112  CCOC1=CN=C(C)N=C1NC F2147-5279 [0,1,0,0,0,0|3,0,0]=4
9  B12R1.234  CCC1=C(CN)N=C(C)N=C1C F1911-7274 [0,1,0,0,0,0|3,0,0]=4
10  B10R1.257  CCC1=NNC(C)=C1C#N F2198-3921 [0,0,0,0,1,0|2,0,1]=4
11  B10R1.257  CCC1=NNC(C)=C1CCl F2198-3913 [0,0,0,0,1,0|2,0,0]=3
12  B10R1.257  CCC1=NNC(C)=C1CN F2198-3937 [0,0,0,0,1,0|2,0,0]=3
13  B9R1.1  C#CC1=NC=C(C)N=C1 F2197-7911 [2,0,0,0,0,0|0,0,2]=4
14  B9R1.2  C#CC1=CN=CC(C)=N1 F2167-5042 [2,0,0,0,0,0|0,0,2]=4
15  B11R1.464  CCC1=C(Br)N=C(C)N=C1C F1911-6441 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.464  CCC1=C(N)N=C(C)N=C1C F8882-8559 [1,1,0,0,0,0|2,0,0]=4
17  B11R1.64  CC1=C(CBr)C(C(C)C)=NN1 F2198-1515 [0,1,0,0,1,0|2,0,0]=4
18  B11R1.64  CC1=C(CCl)C(C(C)C)=NN1 F2198-4337 [0,1,0,0,1,0|2,0,0]=4
19  B11R1.64  CC1=C(CN)C(C(C)C)=NN1 F2198-4361 [0,1,0,0,1,0|2,0,0]=4
20  B11R1.303  CCC1=C(CCCl)C(C)=NN1 F2198-3869 [0,1,0,0,1,0|1,0,1]=4
21  B11R1.303  CCC1=C(CCN)C(C)=NN1 F2198-3848 [0,1,0,0,1,0|1,0,1]=4
22  B11R1.303  CCC1=C(CCO)C(C)=NN1 F2198-3855 [0,1,0,0,1,0|1,0,1]=4
23  B11R1.303  CCC1=C(CNC)C(C)=NN1 F2198-3875 [0,1,0,0,1,0|1,0,1]=4
24  B11R1.303  CCC1=NN=C(C)N1CCN F1917-0224 [0,1,0,0,1,0|2,0,0]=4
25  B11R1.303  CCC1=NNC(C)=C1CCCl F2198-4017 [0,1,0,0,1,0|1,0,0]=3
26  B11R1.303  CCC1=NNC(C)=C1CCN F2198-3996 [0,1,0,0,1,0|1,0,0]=3
27  B11R1.303  CCC1=NNC(C)=C1CCO F2198-4004 [0,1,0,0,1,0|1,0,0]=3
28  B11R1.303  CCC1=NNC(C)=C1CNC F2198-4025 [0,1,0,0,1,0|1,0,0]=3
29  B11R1.380  CCC1=NNC(CC)=C1CBr F2198-1492 [0,1,0,0,1,0|2,0,0]=4
30  B11R1.380  CCC1=NNC(CC)=C1CCl F2198-3914 [0,1,0,0,1,0|2,0,0]=4
31  B11R1.380  CCC1=NNC(CC)=C1CN F2198-3938 [0,1,0,0,1,0|2,0,0]=4
32  B11R1.380  CCC1=NNC(CC)=C1CO F2198-3898 [0,1,0,0,1,0|2,0,0]=4
33  B13R1.356  CNCC1=CC(C)=CN=C1C(F)F F1913-0536 [0,2,0,0,0,0|2,0,0]=4
34  B11R2.10  NC1=CN2CCCCC2=N1 F8881-3918 [0,0,0,1,1,0|2,0,0]=4
35  B11R2.10  NC1=NC2=C(CCCC2)N1 F1913-0048 [0,0,0,1,1,0|1,0,1]=4
36  B11R2.10  NC1=NN2CCCCC2=N1 F8881-0016 [0,0,0,1,1,0|2,0,0]=4
37  B11R2.191  ClCC1=NNC2=C1CCC2 F8880-3088 [0,0,0,1,1,0|2,0,0]=4
38  B11R2.191  OCC1=NNC2=C1CCC2 F1905-0274 [0,0,0,1,1,0|2,0,0]=4
39  B13R2.57  COC1=CN=C2NCCCC2=C1 F1957-0206 [0,1,0,1,0,0|2,0,0]=4
40  B9R1.14  CCC1=NNC=C1CCl F2198-3912 [1,0,0,0,1,0|2,0,0]=4
41  B9R1.14  CCC1=NNC=C1CN F2198-3936 [1,0,0,0,1,0|2,0,0]=4
42  B9R1.14  CCC1=NNC=C1CO F2198-3896 [1,0,0,0,1,0|2,0,0]=4
43  B9R1.27  CC1=NNC(C)=C1CBr F2198-1483 [1,0,0,0,1,0|2,0,0]=4
44  B9R1.27  CC1=NNC(C)=C1CCl F2198-3766 [1,0,0,0,1,0|2,0,0]=4
45  B9R1.27  CC1=NNC(C)=C1CN F1443-1283 [1,0,0,0,1,0|2,0,0]=4