0  B12R2.44  CNc1cc2ncnn2cn1 WXVL_AK00442LP3351 [0,1,0,0,0,0|3,0,0]=4
1  B12R2.44  CNc1cc2ncnn2cn1 WXVL_AK00442LP3351 [0,1,0,0,0,0|3,0,0]=4
2  B12R2.44  CNc1ccn2nccc2n1 WXVL_AK00442LP3345 [0,1,0,0,0,0|3,0,0]=4
3  B12R2.44  CNc1ccn2nccc2n1 WXVL_AK00442LP3345 [0,1,0,0,0,0|3,0,0]=4
4  B12R2.44  CNc1ncc2[nH]ccc2n1 WXVL_AK00442LP0228 [0,1,0,0,0,0|1,0,1]=3
5  B12R2.44  CNc1ncc2[nH]ccc2n1 WXVL_AK00442LP0228 [0,1,0,0,0,0|1,0,1]=3
6  B12R2.44  CNc1ncc2[nH]ncc2n1 WXVL_AK00442PY0749 [0,1,0,0,0,0|2,0,1]=4
7  B12R2.44  CNc1ncc2[nH]ncc2n1 WXVL_AK00442PY0749 [0,1,0,0,0,0|2,0,1]=4
8  B12R2.44  CNc1ncc2ccsc2n1 WXVL_AK00442LP0600 [0,1,0,0,0,0|3,0,0]=4
9  B12R2.44  CNc1ncc2ccsc2n1 WXVL_AK00442LP0600 [0,1,0,0,0,0|3,0,0]=4
10  B12R2.44  CNc1ncc2sccc2n1 WXVL_AK00442LP0123 [0,1,0,0,0,0|2,0,0]=3
11  B12R2.44  CNc1ncc2sccc2n1 WXVL_AK00442LP0123 [0,1,0,0,0,0|2,0,0]=3
12  B10R1.66  NC(=O)/C=C/c1c[nH]cn1 WXVL_AK0084SA0730 [0,0,1,0,0,0|2,0,1]=4
13  B10R1.66  NC(=O)/C=C/c1c[nH]cn1 WXVL_AK0084SA0730 [0,0,1,0,0,0|2,0,1]=4
14  B10R1.66  NC(=O)/C=C/c1ccco1 WXVL_AK0084SA0180 [0,0,1,0,0,0|2,0,1]=4
15  B10R1.66  NC(=O)/C=C/c1ccco1 WXVL_AK0084SA0180 [0,0,1,0,0,0|2,0,1]=4
16  B10R1.66  NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [0,0,1,0,0,0|2,0,1]=4
17  B10R1.66  NC(=O)/C=C/c1cccs1 WXVL_AK0084SA0001 [0,0,1,0,0,0|2,0,1]=4
18  B13R2.57  CNc1ncc2ccccc2n1 WXVL_AK00442LP0064 [0,1,0,0,0,1|2,0,0]=4
19  B13R2.57  CNc1ncc2ccccc2n1 WXVL_AK00442LP0064 [0,1,0,0,0,1|2,0,0]=4
20  B13R2.430  CN(C)c1ncc2[nH]ccc2n1 WXVL_AN0032LP0228 [0,2,0,0,0,0|1,0,1]=4
21  B13R2.430  CN(C)c1ncc2[nH]ccc2n1 WXVL_AN0032LP0228 [0,2,0,0,0,0|1,0,1]=4
22  B13R2.430  CN(C)c1ncc2sccc2n1 WXVL_AN0032LP0123 [0,2,0,0,0,0|2,0,0]=4
23  B13R2.430  CN(C)c1ncc2sccc2n1 WXVL_AN0032LP0123 [0,2,0,0,0,0|2,0,0]=4
24  B13R2.430  NC(=O)c1cc2ccoc2cn1 WXVL_AK0084SE0673 [0,2,0,0,0,0|2,0,0]=4
25  B13R2.430  NC(=O)c1cc2ccoc2cn1 WXVL_AK0084SE0673 [0,2,0,0,0,0|2,0,0]=4
26  B13R2.449  CCNc1ncc2[nH]ccc2n1 WXVL_AK00476LP0228 [0,2,0,0,0,0|1,0,1]=4
27  B13R2.449  CCNc1ncc2[nH]ccc2n1 WXVL_AK00476LP0228 [0,2,0,0,0,0|1,0,1]=4
28  B13R2.449  CCNc1ncc2sccc2n1 WXVL_AK00476LP0123 [0,2,0,0,0,0|2,0,0]=4
29  B13R2.449  CCNc1ncc2sccc2n1 WXVL_AK00476LP0123 [0,2,0,0,0,0|2,0,0]=4
30  B13R2.669  CNc1ncc2[nH]cc(c2n1)I WXVL_AK00442LR0017 [0,2,0,0,0,0|1,0,1]=4
31  B13R2.669  CNc1ncc2[nH]cc(c2n1)I WXVL_AK00442LR0017 [0,2,0,0,0,0|1,0,1]=4
32  B13R2.669  CNc1ncc2scc(c2n1)Br WXVL_AK00442LR0389 [0,2,0,0,0,0|2,0,0]=4
33  B13R2.2130  CNc1ncc2c(n1)ccn2C WXVL_AK00442LP1483 [0,2,0,0,0,0|1,0,1]=4
34  B13R2.2130  CNc1ncc2c(n1)ccn2C WXVL_AK00442LP1483 [0,2,0,0,0,0|1,0,1]=4
35  B11R1.91  NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [0,0,1,0,0,1|1,0,1]=4
36  B11R1.91  NC(=O)/C=C/c1cccnc1 WXVL_AK0084SA0193 [0,0,1,0,0,1|1,0,1]=4
37  B11R1.91  NC(=O)/C=C/c1cnccn1 WXVL_AK0084SA2885 [0,0,1,0,0,1|1,0,1]=4
38  B11R1.91  NC(=O)/C=C/c1cnccn1 WXVL_AK0084SA2885 [0,0,1,0,0,1|1,0,1]=4