0  B12R2.315  CNc1ncnc2c1cc[nH]2 WXVL_AK00442LP0055 [0,1,0,0,0,0|2,0,0]=3
1  B12R2.315  CNc1ncnc2c1cc[nH]2 WXVL_AK00442LP0055 [0,1,0,0,0,0|2,0,0]=3
2  B12R2.315  CNc1ncnc2c1cco2 WXVL_AK00442LP0417 [0,1,0,0,0,0|3,0,0]=4
3  B12R2.315  CNc1ncnc2c1cco2 WXVL_AK00442LP0417 [0,1,0,0,0,0|3,0,0]=4
4  B12R2.315  CNc1ncnc2c1ccs2 WXVL_AK00442LP0097 [0,1,0,0,0,0|3,0,0]=4
5  B12R2.315  CNc1ncnc2c1ccs2 WXVL_AK00442LP0097 [0,1,0,0,0,0|3,0,0]=4
6  B12R2.315  CNc1ncnc2c1cn[nH]2 WXVL_AK00442PY0172 [0,1,0,0,0,0|1,0,1]=3
7  B12R2.315  CNc1ncnc2c1cn[nH]2 WXVL_AK00442PY0172 [0,1,0,0,0,0|1,0,1]=3
8  B10R1.2  CNc1ncnc(c1Br)C WXVL_AK00442LQ2336 [0,0,1,0,0,0|3,0,0]=4
9  B10R1.2  CNc1ncnc(c1Br)C WXVL_AK00442LQ2336 [0,0,1,0,0,0|3,0,0]=4
10  B10R1.10  CCNc1cc(ncn1)C WXVL_AK00476LP0109 [0,0,1,0,0,0|2,0,1]=4
11  B10R1.10  CCNc1cc(ncn1)C WXVL_AK00476LP0109 [0,0,1,0,0,0|2,0,1]=4
12  B9R1.2  CNc1cc(ncn1)C WXVL_AK00442LP0109 [1,0,1,0,0,0|1,0,1]=4
13  B9R1.2  CNc1cc(ncn1)C WXVL_AK00442LP0109 [1,0,1,0,0,0|1,0,1]=4
14  B9R1.15  CNc1ncncc1Br WXVL_AK00442LQ2111 [1,0,1,0,0,0|2,0,0]=4
15  B9R1.15  CNc1ncncc1Br WXVL_AK00442LQ2111 [1,0,1,0,0,0|2,0,0]=4
16  B9R1.15  CNc1ncncc1C WXVL_AK00442LP0053 [1,0,1,0,0,0|1,0,1]=4
17  B9R1.15  CNc1ncncc1C WXVL_AK00442LP0053 [1,0,1,0,0,0|1,0,1]=4
18  B9R1.15  CNc1ncncc1F WXVL_AK00442LP0435 [1,0,1,0,0,0|2,0,0]=4
19  B9R1.15  CNc1ncncc1F WXVL_AK00442LP0435 [1,0,1,0,0,0|2,0,0]=4
20  B9R1.15  CNc1ncncc1I WXVL_AK00442LP3348 [1,0,1,0,0,0|2,0,0]=4
21  B9R1.15  CNc1ncncc1I WXVL_AK00442LP3348 [1,0,1,0,0,0|2,0,0]=4
22  B9R1.8  CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,1,0,0,0|1,0,1]=4
23  B9R1.8  CCNc1ccncn1 WXVL_AK00476LP3358 [1,0,1,0,0,0|1,0,1]=4
24  B11R1.222  CNC(=O)c1cncnc1C WXVL_AK00442SC0515 [0,1,1,0,0,0|2,0,0]=4
25  B11R1.222  CNC(=O)c1cncnc1C WXVL_AK00442SC0515 [0,1,1,0,0,0|2,0,0]=4
26  B11R1.24  C=CCNc1cc(ncn1)C WXVL_AK00561LP0109 [0,1,1,0,0,0|2,0,0]=4
27  B11R1.24  C=CCNc1cc(ncn1)C WXVL_AK00561LP0109 [0,1,1,0,0,0|2,0,0]=4
28  B13R2.573  CNc1ncnc2c1ccn2C WXVL_AK00442LP0456 [0,2,0,0,0,0|2,0,0]=4
29  B13R2.573  CNc1ncnc2c1ccn2C WXVL_AK00442LP0456 [0,2,0,0,0,0|2,0,0]=4
30  B13R2.573  CNc1ncnc2c1cnn2C WXVL_AK00442LP3353 [0,2,0,0,0,0|1,0,1]=4
31  B13R2.573  CNc1ncnc2c1cnn2C WXVL_AK00442LP3353 [0,2,0,0,0,0|1,0,1]=4
32  B13R2.581  CNc1ncnc2c1cc([nH]2)Br WXVL_AK00442LR0533 [0,2,0,0,0,0|2,0,0]=4
33  B13R2.581  CNc1ncnc2c1cc([nH]2)Br WXVL_AK00442LR0533 [0,2,0,0,0,0|2,0,0]=4
34  B13R2.581  CNc1ncnc2c1cc([nH]2)C WXVL_AK00442LP0780 [0,2,0,0,0,0|2,0,0]=4
35  B13R2.581  CNc1ncnc2c1cc([nH]2)C WXVL_AK00442LP0780 [0,2,0,0,0,0|2,0,0]=4
36  B13R2.582  CNc1ncnc2c1c([nH]n2)Br WXVL_AK00442PY0042 [0,2,0,0,0,0|1,0,1]=4
37  B13R2.582  CNc1ncnc2c1c([nH]n2)Br WXVL_AK00442PY0042 [0,2,0,0,0,0|1,0,1]=4
38  B13R2.582  CNc1ncnc2c1c(c[nH]2)C WXVL_AK00442LP0065 [0,2,0,0,0,0|2,0,0]=4
39  B13R2.582  CNc1ncnc2c1c(c[nH]2)C WXVL_AK00442LP0065 [0,2,0,0,0,0|2,0,0]=4
40  B13R2.582  CNc1ncnc2c1c(c[nH]2)I WXVL_AK00442LR0005 [0,2,0,0,0,0|2,0,0]=4
41  B13R2.582  CNc1ncnc2c1c(c[nH]2)I WXVL_AK00442LR0005 [0,2,0,0,0,0|2,0,0]=4
42  B13R2.582  CNc1ncnc2c1c(n[nH]2)I WXVL_AK00442PY1247 [0,2,0,0,0,0|1,0,1]=4
43  B13R2.582  CNc1ncnc2c1c(n[nH]2)I WXVL_AK00442PY1247 [0,2,0,0,0,0|1,0,1]=4
44  B13R2.623  CNc1nc(nc2c1cn[nH]2)C WXVL_AK00442PY0466 [0,2,0,0,0,0|1,0,1]=4
45  B13R2.623  CNc1nc(nc2c1cn[nH]2)C WXVL_AK00442PY0466 [0,2,0,0,0,0|1,0,1]=4
46  B13R2.292  CCNc1ncnc2c1cc[nH]2 WXVL_AK00476LP0055 [0,2,0,0,0,0|2,0,0]=4
47  B13R2.292  CCNc1ncnc2c1cc[nH]2 WXVL_AK00476LP0055 [0,2,0,0,0,0|2,0,0]=4
48  B13R2.292  CCNc1ncnc2c1cn[nH]2 WXVL_AK00476PY0172 [0,2,0,0,0,0|1,0,1]=4
49  B13R2.292  CCNc1ncnc2c1cn[nH]2 WXVL_AK00476PY0172 [0,2,0,0,0,0|1,0,1]=4
50  B13R2.5569  CN(C)c1ncnc2c1cc[nH]2 WXVL_AN0032LP0055 [0,2,0,0,0,0|2,0,0]=4
51  B13R2.5569  CN(C)c1ncnc2c1cc[nH]2 WXVL_AN0032LP0055 [0,2,0,0,0,0|2,0,0]=4
52  B13R2.5569  CN(C)c1ncnc2c1cn[nH]2 WXVL_AN0032PY0172 [0,2,0,0,0,0|1,0,1]=4
53  B13R2.5569  CN(C)c1ncnc2c1cn[nH]2 WXVL_AN0032PY0172 [0,2,0,0,0,0|1,0,1]=4
54  B13R2.5569  NC(=O)c1nccc2c1cc[nH]2 WXVL_AK0084SE1801 [0,2,0,0,0,0|2,0,0]=4
55  B13R2.5569  NC(=O)c1nccc2c1cc[nH]2 WXVL_AK0084SE1801 [0,2,0,0,0,0|2,0,0]=4
56  B11R2.2  c1nsc(n1)c2cc[nH]c2 WXVL_LR0623BT5115 [0,0,1,1,0,0|1,1,0]=4
57  B11R2.2  c1nsc(n1)c2cn[nH]c2 WXVL_LR0623BT0829 [0,0,1,1,0,0|0,1,1]=4