0 B14R2.50 Cc1cncnc1Nc2ncc[nH]2 WXVL_AF0297LP0053 [1,0,0,0,0,0|3,0,0]=4 1 B14R2.50 Cc1cncnc1Nc2ncc[nH]2 WXVL_AF0297LP0053 [1,0,0,0,0,0|3,0,0]=4 2 B14R1.86 C/C=C/C=C/C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0348 [0,0,1,0,0,0|3,0,0]=4 3 B14R1.86 C/C=C/C=C/C(=O)NCc1ccc[nH]1 WXVL_AK00759SB0348 [0,0,1,0,0,0|3,0,0]=4 4 B14R1.86 C/C=C/C=C/C(=O)NCc1nccs1 WXVL_AK0153SB0348 [0,0,1,0,0,0|3,0,0]=4 5 B14R1.86 C/C=C/C=C/C(=O)NCc1nccs1 WXVL_AK0153SB0348 [0,0,1,0,0,0|3,0,0]=4 6 B14R2.9066 Cc1cccc(c1c2cccs2)F WXVL_LR0498BT5725 [0,0,0,0,1,0|3,0,0]=4 7 B14R2.9066 Cc1cccc(c1c2ccon2)F WXVL_LR0685BT5725 [0,0,0,0,1,0|3,0,0]=4 8 B14R2.9066 Cc1cccc(c1c2cnc[nH]2)F WXVL_LR0418BT5725 [0,0,0,0,1,0|3,0,0]=4 9 B14R2.9066 Cc1cccc(c1c2nc[nH]n2)F WXVL_LR0419BT5725 [0,0,0,0,1,0|2,0,1]=4 10 B14R2.9066 Cc1cccc(c1c2ncns2)F WXVL_LR0623BT5725 [0,0,0,0,1,0|3,0,0]=4 11 B16R2.3259 Cc1cccc(c1Nc2ccncn2)Br WXVL_AG0460LP3358 [0,0,0,0,0,1|3,0,0]=4 12 B16R2.3259 Cc1cccc(c1Nc2ccncn2)Br WXVL_AG0460LP3358 [0,0,0,0,0,1|3,0,0]=4 13 B16R2.3259 Cc1cccc(c1Nc2ccncn2)Cl WXVL_AG0023LP3358 [0,0,0,0,0,1|3,0,0]=4 14 B16R2.3259 Cc1cccc(c1Nc2ccncn2)Cl WXVL_AG0023LP3358 [0,0,0,0,0,1|3,0,0]=4 15 B16R2.3259 Cc1cccc(c1Nc2ccncn2)F WXVL_AG0816LP3358 [0,0,0,0,0,1|3,0,0]=4 16 B16R2.3259 Cc1cccc(c1Nc2ccncn2)F WXVL_AG0816LP3358 [0,0,0,0,0,1|3,0,0]=4 17 B16R2.3259 Cc1cccc(c1Nc2ccncn2)O WXVL_AG1331LP3358 [0,0,0,0,0,1|3,0,0]=4 18 B16R2.3259 Cc1cccc(c1Nc2ccncn2)O WXVL_AG1331LP3358 [0,0,0,0,0,1|3,0,0]=4 19 B16R2.3259 Cc1cccc(c1Nc2ncccn2)Br WXVL_AG0460LP0002 [0,0,0,0,0,1|2,0,1]=4 20 B16R2.3259 Cc1cccc(c1Nc2ncccn2)Br WXVL_AG0460LP0002 [0,0,0,0,0,1|2,0,1]=4 21 B16R2.3259 Cc1cccc(c1Nc2ncccn2)Cl WXVL_AG0023LP0002 [0,0,0,0,0,1|2,0,1]=4 22 B16R2.3259 Cc1cccc(c1Nc2ncccn2)Cl WXVL_AG0023LP0002 [0,0,0,0,0,1|2,0,1]=4 23 B16R2.3259 Cc1cccc(c1Nc2ncccn2)F WXVL_AG0816LP0002 [0,0,0,0,0,1|2,0,1]=4 24 B16R2.3259 Cc1cccc(c1Nc2ncccn2)F WXVL_AG0816LP0002 [0,0,0,0,0,1|2,0,1]=4 25 B16R2.3259 Cc1cccc(c1Nc2ncccn2)O WXVL_AG1331LP0002 [0,0,0,0,0,1|2,0,1]=4 26 B16R2.3259 Cc1cccc(c1Nc2ncccn2)O WXVL_AG1331LP0002 [0,0,0,0,0,1|2,0,1]=4 27 B16R2.3259 Cc1ccnc(c1Nc2ccncn2)C WXVL_AF0857LP3358 [0,0,0,0,0,1|3,0,0]=4 28 B16R2.3259 Cc1ccnc(c1Nc2ccncn2)C WXVL_AF0857LP3358 [0,0,0,0,0,1|3,0,0]=4 29 B16R2.3259 Cc1ccnc(c1Nc2ncccn2)C WXVL_AF0857LP0002 [0,0,0,0,0,1|2,0,1]=4 30 B16R2.3259 Cc1ccnc(c1Nc2ncccn2)C WXVL_AF0857LP0002 [0,0,0,0,0,1|2,0,1]=4 31 B15R1.1378 C/C=C/C=C/C(=O)NCc1nccn1C WXVL_AK0173SB0348 [0,1,1,0,0,0|2,0,0]=4 32 B15R1.1378 C/C=C/C=C/C(=O)NCc1nccn1C WXVL_AK0173SB0348 [0,1,1,0,0,0|2,0,0]=4 33 B15R1.45718 C=CCNC(=O)Nc1c(cccc1C)C WXVL_AK00561YV0014 [0,1,1,0,0,0|2,0,0]=4 34 B15R1.45718 C=CCNC(=O)Nc1c(cccc1C)C WXVL_AK00561YV0014 [0,1,1,0,0,0|2,0,0]=4 35 B15R2.2493 COc1cccc(c1c2cccs2)C WXVL_LR0498BT5008 [0,1,0,0,1,0|2,0,0]=4 36 B15R2.2493 COc1cccc(c1c2ccon2)C WXVL_LR0685BT5008 [0,1,0,0,1,0|2,0,0]=4 37 B15R2.2493 COc1cccc(c1c2cnc[nH]2)C WXVL_LR0418BT5008 [0,1,0,0,1,0|2,0,0]=4 38 B15R2.2493 COc1cccc(c1c2nc[nH]n2)C WXVL_LR0419BT5008 [0,1,0,0,1,0|1,0,1]=4 39 B15R2.2493 COc1cccc(c1c2ncns2)C WXVL_LR0623BT5008 [0,1,0,0,1,0|2,0,0]=4 40 B15R2.2493 Cc1cccc(c1c2nccs2)C=O WXVL_QS1205BT2077 [0,1,0,0,1,0|1,0,1]=4 41 B15R2.6956 Cc1cccc(c1c2nc(cs2)Cl)F WXVL_LR1009BT5725 [0,1,0,0,1,0|2,0,0]=4 42 B15R2.6956 Cc1cccc(c1c2ncc(s2)F)F WXVL_LR1252BT5725 [0,1,0,0,1,0|2,0,0]=4 43 B15R2.6956 Cc1cnc([nH]1)c2c(cccc2F)C WXVL_LR1156BT5725 [0,1,0,0,1,0|1,0,0]=3 44 B15R2.6956 Cc1cnc([nH]1)c2c(cccc2F)F WXVL_LR1156BT1122 [0,1,0,0,1,0|2,0,0]=4 45 B15R2.6956 Cc1cnc([nH]1)c2c(cccc2F)O WXVL_LR1156BT3604 [0,1,0,0,1,0|2,0,0]=4 46 B15R2.6956 Cc1cnc([nH]1)c2c(cccc2F)O WXVL_LR1156BT3763 [0,1,0,0,1,0|2,0,0]=4 47 B15R2.6956 Cc1cnc([nH]1)c2c(cccc2O)O WXVL_LR1156BT4896 [0,1,0,0,1,0|2,0,0]=4 48 B15R2.6956 Cc1cnc([nH]1)c2c(ccnc2F)C WXVL_LR1156BT2353 [0,1,0,0,1,0|2,0,0]=4 49 B15R2.7647 Cc1cccc(c1c2ncnn2C)F WXVL_LR0640BT5725 [0,1,0,0,1,0|2,0,0]=4 50 B15R2.7647 Cc1cccc(c1c2nncn2C)F WXVL_LR1200BT5725 [0,1,0,0,1,0|2,0,0]=4 51 B17R2.1791 COc1cccc(c1Nc2ccncn2)C WXVL_AG0358LP3358 [0,1,0,0,0,1|2,0,0]=4 52 B17R2.1791 COc1cccc(c1Nc2ccncn2)C WXVL_AG0358LP3358 [0,1,0,0,0,1|2,0,0]=4 53 B17R2.1791 COc1cccc(c1Nc2ncccn2)C WXVL_AG0358LP0002 [0,1,0,0,0,1|1,0,1]=4 54 B17R2.1791 COc1cccc(c1Nc2ncccn2)C WXVL_AG0358LP0002 [0,1,0,0,0,1|1,0,1]=4 55 B17R2.1791 Cc1cccc(c1Nc2ccncn2)CO WXVL_AG3155LP3358 [0,1,0,0,0,1|2,0,0]=4 56 B17R2.1791 Cc1cccc(c1Nc2ccncn2)CO WXVL_AG3155LP3358 [0,1,0,0,0,1|2,0,0]=4 57 B17R2.1791 Cc1cccc(c1Nc2ncccn2)CO WXVL_AG3155LP0002 [0,1,0,0,0,1|1,0,1]=4 58 B17R2.1791 Cc1cccc(c1Nc2ncccn2)CO WXVL_AG3155LP0002 [0,1,0,0,0,1|1,0,1]=4 59 B17R2.5357 Cc1ccc(c(c1Nc2ccncn2)C)I WXVL_AG2768LP3358 [0,1,0,0,0,1|2,0,0]=4 60 B17R2.5357 Cc1ccc(c(c1Nc2ccncn2)C)I WXVL_AG2768LP3358 [0,1,0,0,0,1|2,0,0]=4 61 B17R2.5357 Cc1ccc(c(c1Nc2ncccn2)C)I WXVL_AG2768LP0002 [0,1,0,0,0,1|1,0,1]=4 62 B17R2.5357 Cc1ccc(c(c1Nc2ncccn2)C)I WXVL_AG2768LP0002 [0,1,0,0,0,1|1,0,1]=4 63 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)Br WXVL_AF0297SD1153 [0,1,0,0,0,1|1,0,1]=4 64 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)Br WXVL_AF0297SD1153 [0,1,0,0,0,1|1,0,1]=4 65 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)C WXVL_AF0297SD0861 [0,1,0,0,0,1|0,0,1]=3 66 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)C WXVL_AF0297SD0861 [0,1,0,0,0,1|0,0,1]=3 67 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)Cl WXVL_AF0297SD0615 [0,1,0,0,0,1|1,0,1]=4 68 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)Cl WXVL_AF0297SD0615 [0,1,0,0,0,1|1,0,1]=4 69 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)F WXVL_AF0297SD0136 [0,1,0,0,0,1|1,0,1]=4 70 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)F WXVL_AF0297SD0136 [0,1,0,0,0,1|1,0,1]=4 71 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)O WXVL_AF0297SD0804 [0,1,0,0,0,1|1,0,1]=4 72 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncc[nH]2)O WXVL_AF0297SD0804 [0,1,0,0,0,1|1,0,1]=4 73 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncco2)C WXVL_AF0235SD0861 [0,1,0,0,0,1|1,0,1]=4 74 B17R2.41886 Cc1cccc(c1C(=O)Nc2ncco2)C WXVL_AF0235SD0861 [0,1,0,0,0,1|1,0,1]=4 75 B17R2.41886 Cc1cccc(c1C(=O)Nc2nccs2)C WXVL_AF0003SD0861 [0,1,0,0,0,1|1,0,1]=4 76 B17R2.41886 Cc1cccc(c1C(=O)Nc2nccs2)C WXVL_AF0003SD0861 [0,1,0,0,0,1|1,0,1]=4 77 B13R1.156 C/C=C/C=C/C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0348 [0,0,1,0,1,0|2,0,0]=4 78 B13R1.156 C/C=C/C=C/C(=O)Nc1ncc[nH]1 WXVL_AF0297SB0348 [0,0,1,0,1,0|2,0,0]=4 79 B13R2.18 Cc1ccccc1c2cccs2 WXVL_LR0498BT1515 [1,0,0,0,1,0|2,0,0]=4 80 B13R2.18 Cc1ccccc1c2cccs2 WXVL_LR0498BT4142 [1,0,0,0,1,0|2,0,0]=4 81 B13R2.18 Cc1ccccc1c2cccs2 WXVL_LR0498BT9252 [1,0,0,0,1,0|2,0,0]=4 82 B13R2.18 Cc1ccccc1c2ccon2 WXVL_LR0685BT1515 [1,0,0,0,1,0|2,0,0]=4 83 B13R2.18 Cc1ccccc1c2ccon2 WXVL_LR0685BT4142 [1,0,0,0,1,0|2,0,0]=4 84 B13R2.18 Cc1ccccc1c2ccon2 WXVL_LR0685BT9252 [1,0,0,0,1,0|2,0,0]=4 85 B13R2.18 Cc1ccccc1c2cnc[nH]2 WXVL_LR0418BT1515 [1,0,0,0,1,0|2,0,0]=4 86 B13R2.18 Cc1ccccc1c2cnc[nH]2 WXVL_LR0418BT4142 [1,0,0,0,1,0|2,0,0]=4 87 B13R2.18 Cc1ccccc1c2cnc[nH]2 WXVL_LR0418BT9252 [1,0,0,0,1,0|2,0,0]=4 88 B13R2.18 Cc1ccccc1c2nc[nH]n2 WXVL_LR0419BT1515 [1,0,0,0,1,0|1,0,1]=4 89 B13R2.18 Cc1ccccc1c2nc[nH]n2 WXVL_LR0419BT4142 [1,0,0,0,1,0|1,0,1]=4 90 B13R2.18 Cc1ccccc1c2nc[nH]n2 WXVL_LR0419BT9252 [1,0,0,0,1,0|1,0,1]=4 91 B13R2.18 Cc1ccccc1c2ncns2 WXVL_LR0623BT1515 [1,0,0,0,1,0|2,0,0]=4 92 B13R2.18 Cc1ccccc1c2ncns2 WXVL_LR0623BT4142 [1,0,0,0,1,0|2,0,0]=4 93 B13R2.18 Cc1ccccc1c2ncns2 WXVL_LR0623BT9252 [1,0,0,0,1,0|2,0,0]=4 94 B15R1.1376 C/C=C/C=C/C(=O)NCCc1ncc[nH]1 WXVL_AK00009SB0348 [0,0,1,0,0,1|1,0,1]=4 95 B15R1.1376 C/C=C/C=C/C(=O)NCCc1ncc[nH]1 WXVL_AK00009SB0348 [0,0,1,0,0,1|1,0,1]=4 96 B15R2.38 Cc1ccccc1Nc2ccncn2 WXVL_AG0027LP3358 [1,0,0,0,0,1|2,0,0]=4 97 B15R2.38 Cc1ccccc1Nc2ccncn2 WXVL_AG0027LP3358 [1,0,0,0,0,1|2,0,0]=4 98 B15R2.38 Cc1ccccc1Nc2ncccn2 WXVL_AG0027LP0002 [1,0,0,0,0,1|1,0,1]=4 99 B15R2.38 Cc1ccccc1Nc2ncccn2 WXVL_AG0027LP0002 [1,0,0,0,0,1|1,0,1]=4 100 B17R2.3933 Cc1cccc(c1CNc2ccncn2)C WXVL_AK2755LP3358 [0,0,0,0,0,2|1,0,0]=3 101 B17R2.3933 Cc1cccc(c1CNc2ccncn2)C WXVL_AK2755LP3358 [0,0,0,0,0,2|1,0,0]=3 102 B17R2.3933 Cc1cccc(c1CNc2ncccn2)C WXVL_AK2755LP0002 [0,0,0,0,0,2|0,0,1]=3 103 B17R2.3933 Cc1cccc(c1CNc2ncccn2)C WXVL_AK2755LP0002 [0,0,0,0,0,2|0,0,1]=3