0 B17R3.1910 c1c[nH]c(n1)Nc2ncnc3c2CCC3 WXVL_AF0297LP0368 [0,0,0,0,0,0|2,0,2]=4 1 B17R3.1910 c1c[nH]c(n1)Nc2ncnc3c2CCC3 WXVL_AF0297LP0368 [0,0,0,0,0,0|2,0,2]=4 2 B16R2.29551 C/C=C/C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0340 [0,0,1,0,0,0|2,0,1]=4 3 B16R2.29551 C/C=C/C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0340 [0,0,1,0,0,0|2,0,1]=4 4 B16R2.29551 CC#CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB1240 [0,0,1,0,0,0|2,0,1]=4 5 B16R2.29551 CC#CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB1240 [0,0,1,0,0,0|2,0,1]=4 6 B16R2.29551 CCCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0073 [0,0,1,0,0,0|2,0,0]=3 7 B16R2.29551 CCCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0073 [0,0,1,0,0,0|2,0,0]=3 8 B16R2.29551 CCCC(=O)Nc1cccc2c1CCN2 WXVL_AG3397SB0073 [0,0,1,0,0,0|3,0,0]=4 9 B16R2.29551 CCCC(=O)Nc1cccc2c1CCN2 WXVL_AG3397SB0073 [0,0,1,0,0,0|3,0,0]=4 10 B16R2.29551 CCCC(=O)Nc1cccc2c1CCO2 WXVL_AG1636SB0073 [0,0,1,0,0,0|3,0,0]=4 11 B16R2.29551 CCCC(=O)Nc1cccc2c1CCO2 WXVL_AG1636SB0073 [0,0,1,0,0,0|3,0,0]=4 12 B16R2.29551 CCCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0073 [0,0,1,0,0,0|3,0,0]=4 13 B16R2.29551 CCCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0073 [0,0,1,0,0,0|3,0,0]=4 14 B16R2.29551 COCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0090 [0,0,1,0,0,0|3,0,0]=4 15 B16R2.29551 COCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0090 [0,0,1,0,0,0|3,0,0]=4 16 B16R2.29551 CSCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB1267 [0,0,1,0,0,0|3,0,0]=4 17 B16R2.29551 CSCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB1267 [0,0,1,0,0,0|3,0,0]=4 18 B16R3.5924 c1cc2c(c(c1)c3ccon3)CCC2 WXVL_LR0685BT9803 [0,0,0,0,1,0|2,0,1]=4 19 B16R3.5924 c1cc2c(c(c1)c3cn[nH]n3)CCC2 WXVL_LR0395BT9803 [0,0,0,0,1,0|3,0,0]=4 20 B16R3.5924 c1cc2c(c(c1)c3cnc[nH]3)CCC2 WXVL_LR0418BT9803 [0,0,0,0,1,0|2,0,1]=4 21 B16R3.5924 c1cc2c(c(c1)c3nc[nH]n3)CCC2 WXVL_LR0419BT9803 [0,0,0,0,1,0|1,0,2]=4 22 B16R3.5924 c1cc2c(c(c1)c3ncns3)CCC2 WXVL_LR0623BT9803 [0,0,0,0,1,0|2,0,1]=4 23 B18R3.2115 c1cc2c(c(c1)Nc3ccncn3)CCC2 WXVL_AG0108LP3358 [0,0,0,0,0,1|1,0,2]=4 24 B18R3.2115 c1cc2c(c(c1)Nc3ccncn3)CCC2 WXVL_AG0108LP3358 [0,0,0,0,0,1|1,0,2]=4 25 B18R3.2115 c1cnc(nc1)Nc2cccc3c2CCC3 WXVL_AG0108LP0002 [0,0,0,0,0,1|0,0,3]=4 26 B18R3.2115 c1cnc(nc1)Nc2cccc3c2CCC3 WXVL_AG0108LP0002 [0,0,0,0,0,1|0,0,3]=4 27 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0064 [1,0,1,0,0,0|1,0,0]=3 28 B15R2.19139 CCC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0064 [1,0,1,0,0,0|1,0,0]=3 29 B15R2.19139 CCC(=O)Nc1cccc2c1CCN2 WXVL_AG3397SB0064 [1,0,1,0,0,0|2,0,0]=4 30 B15R2.19139 CCC(=O)Nc1cccc2c1CCN2 WXVL_AG3397SB0064 [1,0,1,0,0,0|2,0,0]=4 31 B15R2.19139 CCC(=O)Nc1cccc2c1CCO2 WXVL_AG1636SB0064 [1,0,1,0,0,0|2,0,0]=4 32 B15R2.19139 CCC(=O)Nc1cccc2c1CCO2 WXVL_AG1636SB0064 [1,0,1,0,0,0|2,0,0]=4 33 B15R2.19139 CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0064 [1,0,1,0,0,0|2,0,0]=4 34 B15R2.19139 CCC(=O)Nc1cccc2c1OCC2 WXVL_AG1515SB0064 [1,0,1,0,0,0|2,0,0]=4 35 B15R2.19139 O=C(CO)Nc1cccc2c1CCC2 WXVL_AG0108SB2706 [1,0,1,0,0,0|2,0,0]=4 36 B15R2.19139 O=C(CO)Nc1cccc2c1CCC2 WXVL_AG0108SB2706 [1,0,1,0,0,0|2,0,0]=4 37 B17R2.74423 O=C(NCCCl)Nc1cccc2c1CCC2 WXVL_AG0108YV0092 [0,1,1,0,0,0|1,0,0]=3 38 B17R2.74423 O=C(NCCCl)Nc1cccc2c1CCC2 WXVL_AG0108YV0092 [0,1,1,0,0,0|1,0,0]=3 39 B17R2.74423 O=C(NCCCl)Nc1cccc2c1CCN2 WXVL_AG3397YV0092 [0,1,1,0,0,0|2,0,0]=4 40 B17R2.74423 O=C(NCCCl)Nc1cccc2c1CCN2 WXVL_AG3397YV0092 [0,1,1,0,0,0|2,0,0]=4 41 B17R2.74423 O=C(NCCCl)Nc1cccc2c1CCO2 WXVL_AG1636YV0092 [0,1,1,0,0,0|2,0,0]=4 42 B17R2.74423 O=C(NCCCl)Nc1cccc2c1CCO2 WXVL_AG1636YV0092 [0,1,1,0,0,0|2,0,0]=4 43 B17R2.74423 O=C(NCCCl)Nc1cccc2c1OCC2 WXVL_AG1515YV0092 [0,1,1,0,0,0|2,0,0]=4 44 B17R2.74423 O=C(NCCCl)Nc1cccc2c1OCC2 WXVL_AG1515YV0092 [0,1,1,0,0,0|2,0,0]=4 45 B17R2.6888 CCC(=O)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0344 [0,1,1,0,0,0|2,0,0]=4 46 B17R2.6888 CCC(=O)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0344 [0,1,1,0,0,0|2,0,0]=4 47 B17R2.6888 CCC(C)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0054 [0,1,1,0,0,0|2,0,0]=4 48 B17R2.6888 CCC(C)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0054 [0,1,1,0,0,0|2,0,0]=4 49 B17R2.6888 CC[C@@H](C)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB00054 [0,1,1,0,0,0|2,0,0]=4 50 B17R2.6888 CC[C@@H](C)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB00054 [0,1,1,0,0,0|2,0,0]=4 51 B17R2.6888 CC[C@H](O)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB3573 [0,1,1,0,0,0|2,0,0]=4 52 B17R2.6888 CC[C@H](O)C(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB3573 [0,1,1,0,0,0|2,0,0]=4 53 B17R2.147063 CC(C)CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0063 [0,1,1,0,0,0|2,0,0]=4 54 B17R2.147063 CC(C)CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB0063 [0,1,1,0,0,0|2,0,0]=4 55 B17R2.147063 CC(O)CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB3643 [0,1,1,0,0,0|2,0,0]=4 56 B17R2.147063 CC(O)CC(=O)Nc1cccc2c1CCC2 WXVL_AG0108SB3643 [0,1,1,0,0,0|2,0,0]=4 57 B17R3.2637 Cn1cnnc1c2cccc3c2CCC3 WXVL_LR1200BT9803 [0,1,0,0,1,0|1,0,1]=4 58 B17R3.2637 Cn1ncnc1c2cccc3c2CCC3 WXVL_LR0640BT9803 [0,1,0,0,1,0|1,0,1]=4 59 B17R3.17527 Cc1cnc([nH]1)c2cccc3c2CCC3 WXVL_LR1156BT9803 [0,1,0,0,1,0|0,0,2]=4 60 B19R3.202519 O=C(Nc1cccc2c1CCC2)c3nnc[nH]3 WXVL_AG0108SC00053 [0,1,0,0,0,1|1,0,1]=4 61 B19R3.202519 O=C(Nc1cccc2c1CCC2)c3nnc[nH]3 WXVL_AG0108SC00053 [0,1,0,0,0,1|1,0,1]=4 62 B19R3.202639 O=C(Nc1ncc[nH]1)c2cccc3c2CCC3 WXVL_AF0297SE0876 [0,1,0,0,0,1|0,0,2]=4 63 B19R3.202639 O=C(Nc1ncc[nH]1)c2cccc3c2CCC3 WXVL_AF0297SE0876 [0,1,0,0,0,1|0,0,2]=4 64 B15R1.3880 CCCC(=O)Nc1ccccc1CCC WXVL_AG1917SB0073 [0,0,2,0,0,0|2,0,0]=4 65 B15R1.3880 CCCC(=O)Nc1ccccc1CCC WXVL_AG1917SB0073 [0,0,2,0,0,0|2,0,0]=4 66 B15R1.3880 CCNC(=O)Nc1ccccc1OCC WXVL_AK00476YV0011 [0,0,2,0,0,0|2,0,0]=4 67 B15R1.3880 CCNC(=O)Nc1ccccc1OCC WXVL_AK00476YV0011 [0,0,2,0,0,0|2,0,0]=4 68 B17R3.484355 O=C(Nc1cccc2c1CCC2)C3CC3 WXVL_AG0108SB0038 [0,0,1,1,0,0|2,0,0]=4 69 B17R3.484355 O=C(Nc1cccc2c1CCC2)C3CC3 WXVL_AG0108SB0038 [0,0,1,1,0,0|2,0,0]=4 70 B15R2.17340 CCNC(=O)c1cccc2c1CCC2 WXVL_AK00476SE0876 [0,0,1,0,1,0|1,0,0]=3 71 B15R2.17340 CCNC(=O)c1cccc2c1CCC2 WXVL_AK00476SE0876 [0,0,1,0,1,0|1,0,0]=3 72 B15R2.17340 CCNC(=O)c1cccc2c1OCC2 WXVL_AK00476SE0019 [0,0,1,0,1,0|2,0,0]=4 73 B15R2.17340 CCNC(=O)c1cccc2c1OCC2 WXVL_AK00476SE0019 [0,0,1,0,1,0|2,0,0]=4