0 B13R2.57 CNc1ncc2ccccc2n1 WXVL_AK00442LP0064 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 CNc1ncc2ccccc2n1 WXVL_AK00442LP0064 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.112 CCNc1ncc2ccccc2n1 WXVL_AK00476LP0064 [0,1,0,0,0,0|3,0,0]=4 3 B14R2.112 CCNc1ncc2ccccc2n1 WXVL_AK00476LP0064 [0,1,0,0,0,0|3,0,0]=4 4 B14R2.134 CNc1ncc2ccc(cc2n1)Br WXVL_AK00442LQ2121 [0,1,0,0,0,0|3,0,0]=4 5 B14R2.134 CNc1ncc2ccc(cc2n1)Br WXVL_AK00442LQ2121 [0,1,0,0,0,0|3,0,0]=4 6 B14R2.134 CNc1ncc2ccc(cc2n1)F WXVL_AK00442LP0362 [0,1,0,0,0,0|3,0,0]=4 7 B14R2.134 CNc1ncc2ccc(cc2n1)F WXVL_AK00442LP0362 [0,1,0,0,0,0|3,0,0]=4 8 B14R2.142 CNc1ncc2cccc(c2n1)Br WXVL_AK00442LQ1447 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.142 CNc1ncc2cccc(c2n1)Br WXVL_AK00442LQ1447 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.142 CNc1ncc2cccc(c2n1)O WXVL_AK00442LP3367 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.142 CNc1ncc2cccc(c2n1)O WXVL_AK00442LP3367 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.781 CN(C)c1ncc2ccccc2n1 WXVL_AN0032LP0064 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.781 CN(C)c1ncc2ccccc2n1 WXVL_AN0032LP0064 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.781 NC(=O)c1cc2ccccc2cn1 WXVL_AK0084SE0464 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.781 NC(=O)c1cc2ccccc2cn1 WXVL_AK0084SE0464 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.781 NC(=O)c1ccc2ccccc2c1 WXVL_AK0084SE0013 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.781 NC(=O)c1ccc2ccccc2c1 WXVL_AK0084SE0013 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.781 NC(=O)c1ccc2ccccc2n1 WXVL_AK0084SE0005 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.781 NC(=O)c1ccc2ccccc2n1 WXVL_AK0084SE0005 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.781 NC(=O)c1ccc2cccnc2c1 WXVL_AK0084SE0111 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.781 NC(=O)c1ccc2cccnc2c1 WXVL_AK0084SE0111 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.781 NC(=O)c1ccc2ccncc2c1 WXVL_AK0084SE0986 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.781 NC(=O)c1ccc2ccncc2c1 WXVL_AK0084SE0986 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.781 NC(=O)c1ccc2cnccc2c1 WXVL_AK0084SE0116 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.781 NC(=O)c1ccc2cnccc2c1 WXVL_AK0084SE0116 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.781 NC(=O)c1ccc2ncccc2c1 WXVL_AK0084SE0022 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.781 NC(=O)c1ccc2ncccc2c1 WXVL_AK0084SE0022 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.781 NC(=O)c1cnc2ccccc2c1 WXVL_AK0084SE0006 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.781 NC(=O)c1cnc2ccccc2c1 WXVL_AK0084SE0006 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.1019 CNc1nc(c2ccccc2n1)C WXVL_AK00442LP0957 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.1019 CNc1nc(c2ccccc2n1)C WXVL_AK00442LP0957 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.1801 CNc1ncc2c(cccc2n1)Br WXVL_AK00442LQ2850 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.1801 CNc1ncc2c(cccc2n1)Br WXVL_AK00442LQ2850 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.1801 CNc1ncc2c(cccc2n1)Cl WXVL_AK00442LP1410 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.1801 CNc1ncc2c(cccc2n1)Cl WXVL_AK00442LP1410 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.2332 CNc1ncc2cc(ccc2n1)Br WXVL_AK00442LQ2208 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.2332 CNc1ncc2cc(ccc2n1)Br WXVL_AK00442LQ2208 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,0,1,0,0,0|2,0,0]=3 39 B12R1.27 CNC(=O)/C=C/c1ccccc1 WXVL_AK00442SB0115 [0,0,1,0,0,0|2,0,0]=3 40 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.27 CNC(=O)/C=C/c1cccnc1 WXVL_AK00442SA0193 [0,0,1,0,0,0|3,0,0]=4 42 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [1,0,1,0,0,0|1,0,1]=4 43 B11R1.91 NC(=O)/C=C/c1ccccc1 WXVL_AK0084SB0115 [1,0,1,0,0,0|1,0,1]=4 44 B13R1.14 CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00442SB0418 [0,1,1,0,0,0|2,0,0]=4 45 B13R1.14 CNC(=O)/C=C/c1ccc(cc1)O WXVL_AK00442SB0418 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00442SB1122 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br WXVL_AK00442SB1122 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00442SB0060 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C WXVL_AK00442SB0060 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00442SB0119 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl WXVL_AK00442SB0119 [0,1,1,0,0,0|2,0,0]=4 52 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00442SB1186 [0,1,1,0,0,0|2,0,0]=4 53 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F WXVL_AK00442SB1186 [0,1,1,0,0,0|2,0,0]=4 54 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00442SB1601 [0,1,1,0,0,0|2,0,0]=4 55 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl WXVL_AK00442SB1601 [0,1,1,0,0,0|2,0,0]=4 56 B13R1.15 CNC(=O)C=Cc1cccc(c1)O WXVL_AK00442SB0417 [0,1,1,0,0,0|2,0,0]=4 57 B13R1.15 CNC(=O)C=Cc1cccc(c1)O WXVL_AK00442SB0417 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [0,1,1,0,0,0|2,0,0]=4 59 B13R1.42 CCNC(=O)/C=C/c1ccccc1 WXVL_AK00476SB0115 [0,1,1,0,0,0|2,0,0]=4 60 B13R1.351 CN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0032SB0115 [0,1,1,0,0,0|2,0,0]=4 61 B13R1.351 CN(C)C(=O)/C=C/c1ccccc1 WXVL_AN0032SB0115 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.528 CNC(=O)C=Cc1ccccc1Br WXVL_AK00442SB3065 [0,1,1,0,0,0|2,0,0]=4 63 B13R1.528 CNC(=O)C=Cc1ccccc1Br WXVL_AK00442SB3065 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.3 COc1ccc(cc1)/C=C/C(=O)N WXVL_AK0084SB0120 [0,1,1,0,0,0|1,0,0]=3 65 B13R1.3 COc1ccc(cc1)/C=C/C(=O)N WXVL_AK0084SB0120 [0,1,1,0,0,0|1,0,0]=3 66 B13R1.91 C=Cc1ccccc1NC(=O)CC WXVL_AG2145SB0064 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.91 C=Cc1ccccc1NC(=O)CC WXVL_AG2145SB0064 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.643 COc1cccc(c1)C=CC(=O)N WXVL_AK0084SB0458 [0,1,1,0,0,0|1,0,0]=3 69 B13R1.643 COc1cccc(c1)C=CC(=O)N WXVL_AK0084SB0458 [0,1,1,0,0,0|1,0,0]=3 70 B15R2.627 NC(=O)c1ccc2ccccc2c1Br WXVL_AK0084SE1042 [0,2,0,0,0,0|2,0,0]=4 71 B15R2.627 NC(=O)c1ccc2ccccc2c1Br WXVL_AK0084SE1042 [0,2,0,0,0,0|2,0,0]=4 72 B15R2.627 NC(=O)c1ccc2ccccc2c1O WXVL_AK0084SE0010 [0,2,0,0,0,0|2,0,0]=4 73 B15R2.627 NC(=O)c1ccc2ccccc2c1O WXVL_AK0084SE0010 [0,2,0,0,0,0|2,0,0]=4 74 B15R2.1601 CNC(=O)c1cc2ccccc2cn1 WXVL_AK00442SE0464 [0,2,0,0,0,0|2,0,0]=4 75 B15R2.1601 CNC(=O)c1cc2ccccc2cn1 WXVL_AK00442SE0464 [0,2,0,0,0,0|2,0,0]=4 76 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 WXVL_AK00442SE0013 [0,2,0,0,0,0|1,0,0]=3 77 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 WXVL_AK00442SE0013 [0,2,0,0,0,0|1,0,0]=3 78 B15R2.1601 CNC(=O)c1ccc2ccccc2n1 WXVL_AK00442SE0005 [0,2,0,0,0,0|2,0,0]=4 79 B15R2.1601 CNC(=O)c1ccc2ccccc2n1 WXVL_AK00442SE0005 [0,2,0,0,0,0|2,0,0]=4 80 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 WXVL_AK00442SE0111 [0,2,0,0,0,0|2,0,0]=4 81 B15R2.1601 CNC(=O)c1ccc2cccnc2c1 WXVL_AK00442SE0111 [0,2,0,0,0,0|2,0,0]=4 82 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 WXVL_AK00442SE0986 [0,2,0,0,0,0|2,0,0]=4 83 B15R2.1601 CNC(=O)c1ccc2ccncc2c1 WXVL_AK00442SE0986 [0,2,0,0,0,0|2,0,0]=4 84 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 WXVL_AK00442SE0116 [0,2,0,0,0,0|2,0,0]=4 85 B15R2.1601 CNC(=O)c1ccc2cnccc2c1 WXVL_AK00442SE0116 [0,2,0,0,0,0|2,0,0]=4 86 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 WXVL_AK00442SE0022 [0,2,0,0,0,0|2,0,0]=4 87 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 WXVL_AK00442SE0022 [0,2,0,0,0,0|2,0,0]=4 88 B15R2.1601 CNC(=O)c1cnc2ccccc2c1 WXVL_AK00442SE0006 [0,2,0,0,0,0|2,0,0]=4 89 B15R2.1601 CNC(=O)c1cnc2ccccc2c1 WXVL_AK00442SE0006 [0,2,0,0,0,0|2,0,0]=4 90 B15R2.1668 CC(=O)Nc1cc2ccccc2cn1 WXVL_AF0786SB0150 [0,2,0,0,0,0|2,0,0]=4 91 B15R2.1668 CC(=O)Nc1cc2ccccc2cn1 WXVL_AF0786SB0150 [0,2,0,0,0,0|2,0,0]=4 92 B15R2.1668 CC(=O)Nc1ccc2ccccc2n1 WXVL_AF0062SB0150 [0,2,0,0,0,0|2,0,0]=4 93 B15R2.1668 CC(=O)Nc1ccc2ccccc2n1 WXVL_AF0062SB0150 [0,2,0,0,0,0|2,0,0]=4 94 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 WXVL_AG00053SB0150 [0,2,0,0,0,0|2,0,0]=4 95 B15R2.1668 CC(=O)Nc1ccc2cccnc2c1 WXVL_AG00053SB0150 [0,2,0,0,0,0|2,0,0]=4 96 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 WXVL_AG1026SB0150 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.1668 CC(=O)Nc1ccc2ccncc2c1 WXVL_AG1026SB0150 [0,2,0,0,0,0|2,0,0]=4 98 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 WXVL_AG0208SB0150 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.1668 CC(=O)Nc1ccc2cnccc2c1 WXVL_AG0208SB0150 [0,2,0,0,0,0|2,0,0]=4 100 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 WXVL_AG0010SB0150 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 WXVL_AG0010SB0150 [0,2,0,0,0,0|2,0,0]=4 102 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 WXVL_AK0084SB0076 [0,2,0,0,0,0|1,0,1]=4 103 B15R2.1668 NC(=O)Cc1ccc2ccccc2c1 WXVL_AK0084SB0076 [0,2,0,0,0,0|1,0,1]=4 104 B15R2.4776 CNc1ncc2ccc(cc2n1)OC WXVL_AK00442LP0786 [0,2,0,0,0,0|2,0,0]=4 105 B15R2.4776 CNc1ncc2ccc(cc2n1)OC WXVL_AK00442LP0786 [0,2,0,0,0,0|2,0,0]=4 106 B15R2.7174 NC(=O)c1ccc2ccc(cc2c1)Br WXVL_AK0084SE1429 [0,2,0,0,0,0|2,0,0]=4 107 B15R2.7174 NC(=O)c1ccc2ccc(cc2c1)Br WXVL_AK0084SE1429 [0,2,0,0,0,0|2,0,0]=4 108 B15R2.7174 NC(=O)c1ccc2ccc(cc2c1)O WXVL_AK0084SD00086 [0,2,0,0,0,0|2,0,0]=4 109 B15R2.7174 NC(=O)c1ccc2ccc(cc2c1)O WXVL_AK0084SD00086 [0,2,0,0,0,0|2,0,0]=4 110 B15R2.4846 CNc1ncnc2c1cc(cc2)OC WXVL_AK00442LP0579 [0,2,0,0,0,0|2,0,0]=4 111 B15R2.4846 CNc1ncnc2c1cc(cc2)OC WXVL_AK00442LP0579 [0,2,0,0,0,0|2,0,0]=4 112 B15R2.984 NC(=O)c1cc2ccccc2cc1O WXVL_AK0084SE0542 [0,2,0,0,0,0|2,0,0]=4 113 B15R2.984 NC(=O)c1cc2ccccc2cc1O WXVL_AK0084SE0542 [0,2,0,0,0,0|2,0,0]=4 114 B15R2.4441 NS(=O)(=O)c1ccc2ccccc2c1 WXVL_AK0084HU0003 [0,2,0,0,0,0|1,1,0]=4 115 B15R2.4441 NS(=O)(=O)c1ccc2ccccc2c1 WXVL_AK0084HU0003 [0,2,0,0,0,0|1,1,0]=4 116 B15R2.7180 NC(=O)c1ccc2cc(ccc2c1)Br WXVL_AK0084SE0216 [0,2,0,0,0,0|2,0,0]=4 117 B15R2.7180 NC(=O)c1ccc2cc(ccc2c1)Br WXVL_AK0084SE0216 [0,2,0,0,0,0|2,0,0]=4 118 B15R2.13598 NC(=O)c1ccc2c(cccc2c1)Br WXVL_AK0084SE0476 [0,2,0,0,0,0|2,0,0]=4 119 B15R2.13598 NC(=O)c1ccc2c(cccc2c1)Br WXVL_AK0084SE0476 [0,2,0,0,0,0|2,0,0]=4 120 B15R2.13598 NC(=O)c1ccc2c(cccc2c1)Cl WXVL_AK0084SE0851 [0,2,0,0,0,0|2,0,0]=4 121 B15R2.13598 NC(=O)c1ccc2c(cccc2c1)Cl WXVL_AK0084SE0851 [0,2,0,0,0,0|2,0,0]=4 122 B15R2.14951 NC(=O)c1cc(c2ccccc2c1)Br WXVL_AK0084SE3873 [0,2,0,0,0,0|2,0,0]=4 123 B15R2.14951 NC(=O)c1cc(c2ccccc2c1)Br WXVL_AK0084SE3873 [0,2,0,0,0,0|2,0,0]=4 124 B15R2.2310 CNc1ncnc2c1ccc(c2)OC WXVL_AK00442LP1163 [0,2,0,0,0,0|2,0,0]=4 125 B15R2.2310 CNc1ncnc2c1ccc(c2)OC WXVL_AK00442LP1163 [0,2,0,0,0,0|2,0,0]=4 126 B13R2.18 Cc1ccccc1c2ccon2 WXVL_LR0685BT1515 [0,0,1,1,0,0|1,0,1]=4 127 B13R2.18 Cc1ccccc1c2ccon2 WXVL_LR0685BT4142 [0,0,1,1,0,0|1,0,1]=4 128 B13R2.18 Cc1ccccc1c2ccon2 WXVL_LR0685BT9252 [0,0,1,1,0,0|1,0,1]=4 129 B13R2.18 Fc1ccccc1c2ccon2 WXVL_LR0685BT1435 [0,0,1,1,0,0|2,0,0]=4 130 B13R2.18 Fc1ccccc1c2ccon2 WXVL_LR0685BT1901 [0,0,1,1,0,0|2,0,0]=4 131 B13R2.18 Oc1ccccc1c2ccon2 WXVL_LR0685BT1646 [0,0,1,1,0,0|2,0,0]=4