0  B12R2.44  CNc1cc2ncnn2cn1 WXVL_AK00442LP3351 [0,1,0,0,0,0|2,0,1]=4
1  B12R2.44  CNc1cc2ncnn2cn1 WXVL_AK00442LP3351 [0,1,0,0,0,0|2,0,1]=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  B10R1.64  CC(=O)Nc1[nH]cnc1C WXVL_AF00188SB0150 [0,0,1,0,0,0|2,0,1]=4
5  B10R1.64  CC(=O)Nc1[nH]cnc1C WXVL_AF00188SB0150 [0,0,1,0,0,0|2,0,1]=4
6  B10R1.66  NC(=O)/C=C/c1c[nH]cn1 WXVL_AK0084SA0730 [0,0,1,0,0,0|2,0,0]=3
7  B10R1.66  NC(=O)/C=C/c1c[nH]cn1 WXVL_AK0084SA0730 [0,0,1,0,0,0|2,0,0]=3
8  B9R1.13  CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0150 [1,0,1,0,0,0|2,0,0]=4
9  B9R1.13  CC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0150 [1,0,1,0,0,0|2,0,0]=4
10  B11R1.20  Cc1ccc(cc1)CC(=O)N WXVL_AK0084SB0112 [0,1,1,0,0,0|1,0,0]=3
11  B11R1.20  Cc1ccc(cc1)CC(=O)N WXVL_AK0084SB0112 [0,1,1,0,0,0|1,0,0]=3
12  B11R1.20  Cc1ccc(cn1)CC(=O)N WXVL_AK0084SA0250 [0,1,1,0,0,0|2,0,0]=4
13  B11R1.20  Cc1ccc(cn1)CC(=O)N WXVL_AK0084SA0250 [0,1,1,0,0,0|2,0,0]=4
14  B11R1.20  NC(=O)Cc1ccc(cc1)Br WXVL_AK0084SB0926 [0,1,1,0,0,0|2,0,0]=4
15  B11R1.20  NC(=O)Cc1ccc(cc1)Br WXVL_AK0084SB0926 [0,1,1,0,0,0|2,0,0]=4
16  B11R1.20  NC(=O)Cc1ccc(cc1)Cl WXVL_AK0084SB0107 [0,1,1,0,0,0|2,0,0]=4
17  B11R1.20  NC(=O)Cc1ccc(cc1)Cl WXVL_AK0084SB0107 [0,1,1,0,0,0|2,0,0]=4
18  B11R1.20  NC(=O)Cc1ccc(cc1)F WXVL_AK0084SB0106 [0,1,1,0,0,0|2,0,0]=4
19  B11R1.20  NC(=O)Cc1ccc(cc1)F WXVL_AK0084SB0106 [0,1,1,0,0,0|2,0,0]=4
20  B11R1.20  NC(=O)Cc1ccc(cc1)O WXVL_AK0084SB0110 [0,1,1,0,0,0|2,0,0]=4
21  B11R1.20  NC(=O)Cc1ccc(cc1)O WXVL_AK0084SB0110 [0,1,1,0,0,0|2,0,0]=4
22  B11R1.157  CC(=O)Nc1cccc(c1)C WXVL_AG0052SB0150 [0,1,1,0,0,0|1,0,0]=3
23  B11R1.157  CC(=O)Nc1cccc(c1)C WXVL_AG0052SB0150 [0,1,1,0,0,0|1,0,0]=3
24  B11R1.157  CC(=O)Nc1cccc(c1)I WXVL_AG0649SB0150 [0,1,1,0,0,0|2,0,0]=4
25  B11R1.157  CC(=O)Nc1cccc(c1)I WXVL_AG0649SB0150 [0,1,1,0,0,0|2,0,0]=4
26  B11R1.157  CC(=O)Nc1cccc(c1)O WXVL_AG00200SB0150 [0,1,1,0,0,0|2,0,0]=4
27  B11R1.157  CC(=O)Nc1cccc(c1)O WXVL_AG00200SB0150 [0,1,1,0,0,0|2,0,0]=4
28  B11R1.157  CC(=O)Nc1cccc(n1)C WXVL_AF0019SB0150 [0,1,1,0,0,0|2,0,0]=4
29  B11R1.157  CC(=O)Nc1cccc(n1)C WXVL_AF0019SB0150 [0,1,1,0,0,0|2,0,0]=4
30  B11R1.157  CC(=O)Nc1cncc(c1)C WXVL_AF0136SB0150 [0,1,1,0,0,0|2,0,0]=4
31  B11R1.157  CC(=O)Nc1cncc(c1)C WXVL_AF0136SB0150 [0,1,1,0,0,0|2,0,0]=4
32  B11R1.157  Cc1cccc(c1)CC(=O)N WXVL_AK0084SB0105 [0,1,1,0,0,0|1,0,1]=4
33  B11R1.157  Cc1cccc(c1)CC(=O)N WXVL_AK0084SB0105 [0,1,1,0,0,0|1,0,1]=4
34  B11R1.30  C/C=C/C(=O)Nc1cnc[nH]1 WXVL_AF00103SB0340 [0,1,1,0,0,0|2,0,0]=4
35  B11R1.30  C/C=C/C(=O)Nc1cnc[nH]1 WXVL_AF00103SB0340 [0,1,1,0,0,0|2,0,0]=4
36  B11R1.30  C=CCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB2732 [0,1,1,0,0,0|2,0,0]=4
37  B11R1.30  C=CCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB2732 [0,1,1,0,0,0|2,0,0]=4
38  B11R1.35  C=C(F)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB1376 [0,1,1,0,0,0|2,0,0]=4
39  B11R1.35  C=C(F)C(=O)Nc1cnc[nH]1 WXVL_AF00103SB1376 [0,1,1,0,0,0|2,0,0]=4
40  B11R1.25  CNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00442SA0730 [0,1,1,0,0,0|1,0,0]=3
41  B11R1.25  CNC(=O)/C=C/c1c[nH]cn1 WXVL_AK00442SA0730 [0,1,1,0,0,0|1,0,0]=3
42  B13R2.430  NC(=O)c1ccc2cc[nH]c2c1 WXVL_AK0084SE0025 [0,2,0,0,0,0|1,0,1]=4
43  B13R2.430  NC(=O)c1ccc2cc[nH]c2c1 WXVL_AK0084SE0025 [0,2,0,0,0,0|1,0,1]=4
44  B13R2.430  NC(=O)c1ccc2nc[nH]c2c1 WXVL_AK0084SE0374 [0,2,0,0,0,0|0,0,1]=3
45  B13R2.430  NC(=O)c1ccc2nc[nH]c2c1 WXVL_AK0084SE0374 [0,2,0,0,0,0|0,0,1]=3
46  B13R2.430  NC(=O)c1ccc2ncoc2c1 WXVL_AK0084SE0161 [0,2,0,0,0,0|1,0,1]=4
47  B13R2.430  NC(=O)c1ccc2ncoc2c1 WXVL_AK0084SE0161 [0,2,0,0,0,0|1,0,1]=4
48  B13R2.430  NC(=O)c1ccc2ncsc2c1 WXVL_AK0084SE0431 [0,2,0,0,0,0|1,0,1]=4
49  B13R2.430  NC(=O)c1ccc2ncsc2c1 WXVL_AK0084SE0431 [0,2,0,0,0,0|1,0,1]=4
50  B13R2.430  NC(=O)c1ccc2nn[nH]c2c1 WXVL_AK0084SE0050 [0,2,0,0,0,0|1,0,1]=4
51  B13R2.430  NC(=O)c1ccc2nn[nH]c2c1 WXVL_AK0084SE0050 [0,2,0,0,0,0|1,0,1]=4