0  B17R2.322318  CCNC(=O)Nc1cccc2c1cccc2 WXVL_AK00476YV0127 [0,0,1,0,0,0|2,0,0]=3
1  B17R2.322318  CCNC(=O)Nc1cccc2c1cccc2 WXVL_AK00476YV0127 [0,0,1,0,0,0|2,0,0]=3
2  B17R3.2679  c1ccc2c(cccc2c1)c3ccon3 WXVL_LR0685BT1246 [0,0,0,0,1,0|2,0,1]=4
3  B17R3.2679  c1ccc2c(cccc2c1)c3ccon3 WXVL_LR0685BT1679 [0,0,0,0,1,0|2,0,1]=4
4  B17R3.2679  c1ccc2c(cccc2c1)c3cn[nH]n3 WXVL_LR0395BT1246 [0,0,0,0,1,0|3,0,0]=4
5  B17R3.2679  c1ccc2c(cccc2c1)c3cn[nH]n3 WXVL_LR0395BT1679 [0,0,0,0,1,0|3,0,0]=4
6  B17R3.2679  c1ccc2c(cccc2c1)c3cnc[nH]3 WXVL_LR0418BT1246 [0,0,0,0,1,0|2,0,1]=4
7  B17R3.2679  c1ccc2c(cccc2c1)c3cnc[nH]3 WXVL_LR0418BT1679 [0,0,0,0,1,0|2,0,1]=4
8  B17R3.2679  c1ccc2c(cccc2c1)c3nc[nH]n3 WXVL_LR0419BT1246 [0,0,0,0,1,0|1,0,2]=4
9  B17R3.2679  c1ccc2c(cccc2c1)c3nc[nH]n3 WXVL_LR0419BT1679 [0,0,0,0,1,0|1,0,2]=4
10  B17R3.2679  c1ccc2c(cccc2c1)c3ncns3 WXVL_LR0623BT1246 [0,0,0,0,1,0|2,0,1]=4
11  B17R3.2679  c1ccc2c(cccc2c1)c3ncns3 WXVL_LR0623BT1679 [0,0,0,0,1,0|2,0,1]=4
12  B16R2.170412  CNC(=O)Nc1cccc2c1cccc2 WXVL_AK00442YV0127 [1,0,1,0,0,0|2,0,0]=4
13  B16R2.170412  CNC(=O)Nc1cccc2c1cccc2 WXVL_AK00442YV0127 [1,0,1,0,0,0|2,0,0]=4
14  B18R2.883208  CCCNC(=O)Nc1cccc2c1cccc2 WXVL_AK00504YV0127 [0,1,1,0,0,0|2,0,0]=4
15  B18R2.883208  CCCNC(=O)Nc1cccc2c1cccc2 WXVL_AK00504YV0127 [0,1,1,0,0,0|2,0,0]=4
16  B18R2.883208  O=C(NCCF)Nc1cccc2c1cccc2 WXVL_AK00466YV0127 [0,1,1,0,0,0|2,0,0]=4
17  B18R2.883208  O=C(NCCF)Nc1cccc2c1cccc2 WXVL_AK00466YV0127 [0,1,1,0,0,0|2,0,0]=4
18  B18R2.2880857  CC(C)NC(=O)Nc1cccc2c1cccc2 WXVL_AK0030YV0127 [0,1,1,0,0,0|2,0,0]=4
19  B18R2.2880857  CC(C)NC(=O)Nc1cccc2c1cccc2 WXVL_AK0030YV0127 [0,1,1,0,0,0|2,0,0]=4
20  B18R3.62  Cn1cnnc1c2cccc3c2cccc3 WXVL_LR1200BT1246 [0,1,0,0,1,0|1,0,1]=4
21  B18R3.62  Cn1cnnc1c2cccc3c2cccc3 WXVL_LR1200BT1679 [0,1,0,0,1,0|1,0,1]=4
22  B18R3.62  Cn1ncnc1c2cccc3c2cccc3 WXVL_LR0640BT1246 [0,1,0,0,1,0|1,0,1]=4
23  B18R3.62  Cn1ncnc1c2cccc3c2cccc3 WXVL_LR0640BT1679 [0,1,0,0,1,0|1,0,1]=4
24  B18R3.2910  Cc1cnc([nH]1)c2cccc3c2cccc3 WXVL_LR1156BT1246 [0,1,0,0,1,0|0,0,2]=4
25  B18R3.2910  Cc1cnc([nH]1)c2cccc3c2cccc3 WXVL_LR1156BT1679 [0,1,0,0,1,0|0,0,2]=4
26  B18R3.17832  C=Cc1ccccc1c2cn3c(n2)CCC3 WXVL_LR1724BT1736 [0,0,1,1,0,0|2,0,0]=4
27  B16R2.5  CCNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00476SA00109 [0,0,1,0,1,0|2,0,0]=4
28  B16R2.5  CCNC(=O)Cc1c[nH]c2c1cccc2 WXVL_AK00476SA00109 [0,0,1,0,1,0|2,0,0]=4
29  B16R2.5  CCNC(=O)Cn1ccc2c1cccc2 WXVL_AK00476SB1466 [0,0,1,0,1,0|2,0,0]=4
30  B16R2.5  CCNC(=O)Cn1ccc2c1cccc2 WXVL_AK00476SB1466 [0,0,1,0,1,0|2,0,0]=4
31  B16R2.160202  CCNC(=O)c1cccc2c1cccc2 WXVL_AK00476SE0011 [0,0,1,0,1,0|1,0,0]=3
32  B16R2.160202  CCNC(=O)c1cccc2c1cccc2 WXVL_AK00476SE0011 [0,0,1,0,1,0|1,0,0]=3
33  B16R2.160202  CCNC(=O)c1cccc2c1cccn2 WXVL_AK00476SE0021 [0,0,1,0,1,0|2,0,0]=4
34  B16R2.160202  CCNC(=O)c1cccc2c1cccn2 WXVL_AK00476SE0021 [0,0,1,0,1,0|2,0,0]=4
35  B16R2.160202  CCNC(=O)c1cccc2c1ccnc2 WXVL_AK00476SE0473 [0,0,1,0,1,0|2,0,0]=4
36  B16R2.160202  CCNC(=O)c1cccc2c1ccnc2 WXVL_AK00476SE0473 [0,0,1,0,1,0|2,0,0]=4
37  B16R2.160202  CCNC(=O)c1cccc2c1cncc2 WXVL_AK00476SE0721 [0,0,1,0,1,0|2,0,0]=4
38  B16R2.160202  CCNC(=O)c1cccc2c1cncc2 WXVL_AK00476SE0721 [0,0,1,0,1,0|2,0,0]=4
39  B16R2.160202  CCNC(=O)c1cccc2c1nccc2 WXVL_AK00476SE0023 [0,0,1,0,1,0|2,0,0]=4
40  B16R2.160202  CCNC(=O)c1cccc2c1nccc2 WXVL_AK00476SE0023 [0,0,1,0,1,0|2,0,0]=4
41  B16R2.160202  CCNC(=O)c1ccnc2c1cccc2 WXVL_AK00476SE0007 [0,0,1,0,1,0|2,0,0]=4
42  B16R2.160202  CCNC(=O)c1ccnc2c1cccc2 WXVL_AK00476SE0007 [0,0,1,0,1,0|2,0,0]=4
43  B16R2.160202  CCNC(=O)c1nccc2c1cccc2 WXVL_AK00476SE0008 [0,0,1,0,1,0|2,0,0]=4
44  B16R2.160202  CCNC(=O)c1nccc2c1cccc2 WXVL_AK00476SE0008 [0,0,1,0,1,0|2,0,0]=4