0 B15R2.2195 c1ccc(cc1)CNc2ccncn2 WXVL_AK00502LP3358 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.2195 c1ccc(cc1)CNc2ccncn2 WXVL_AK00502LP3358 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.2195 c1ccc(cc1)CNc2ncccn2 WXVL_AK00502LP0002 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.2195 c1ccc(cc1)CNc2ncccn2 WXVL_AK00502LP0002 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 WXVL_AG00183SD0001 [0,1,0,0,0,0|2,0,0]=3 5 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 WXVL_AG00183SD0001 [0,1,0,0,0,0|2,0,0]=3 6 B16R2.88 O=C(Nc1ccccc1)c2ccccn2 WXVL_AG00183SC0058 [0,1,0,0,0,0|3,0,0]=4 7 B16R2.88 O=C(Nc1ccccc1)c2ccccn2 WXVL_AG00183SC0058 [0,1,0,0,0,0|3,0,0]=4 8 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 WXVL_AG00183SC0061 [0,1,0,0,0,0|3,0,0]=4 9 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 WXVL_AG00183SC0061 [0,1,0,0,0,0|3,0,0]=4 10 B16R2.88 O=C(Nc1ccccc1)c2ccncc2 WXVL_AG00183SC0062 [0,1,0,0,0,0|3,0,0]=4 11 B16R2.88 O=C(Nc1ccccc1)c2ccncc2 WXVL_AG00183SC0062 [0,1,0,0,0,0|3,0,0]=4 12 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 WXVL_AF00298SD0001 [0,1,0,0,0,0|3,0,0]=4 13 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 WXVL_AF00298SD0001 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.6 c1ccc(cc1)Nc2ccncn2 WXVL_AG00183LP3358 [0,0,0,0,1,0|3,0,0]=4 15 B14R2.6 c1ccc(cc1)Nc2ccncn2 WXVL_AG00183LP3358 [0,0,0,0,1,0|3,0,0]=4 16 B14R2.6 c1ccc(cc1)Nc2ncccn2 WXVL_AG00183LP0002 [0,0,0,0,1,0|3,0,0]=4 17 B14R2.6 c1ccc(cc1)Nc2ncccn2 WXVL_AG00183LP0002 [0,0,0,0,1,0|3,0,0]=4 18 B17R2.143 O=C(Cc1ccccc1)Nc2ccccc2 WXVL_AG00183SB0092 [0,1,0,0,0,1|2,0,0]=4 19 B17R2.143 O=C(Cc1ccccc1)Nc2ccccc2 WXVL_AG00183SB0092 [0,1,0,0,0,1|2,0,0]=4 20 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 WXVL_AK00502SD0001 [0,1,0,0,0,1|2,0,0]=4 21 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 WXVL_AK00502SD0001 [0,1,0,0,0,1|2,0,0]=4 22 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 WXVL_AG00183SD0037 [0,2,0,0,0,0|2,0,0]=4 23 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 WXVL_AG00183SD0037 [0,2,0,0,0,0|2,0,0]=4 24 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br WXVL_AG00183SD0002 [0,2,0,0,0,0|2,0,0]=4 25 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br WXVL_AG00183SD0002 [0,2,0,0,0,0|2,0,0]=4 26 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl WXVL_AG00183SD0006 [0,2,0,0,0,0|2,0,0]=4 27 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl WXVL_AG00183SD0006 [0,2,0,0,0,0|2,0,0]=4 28 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F WXVL_AG00183SD0003 [0,2,0,0,0,0|2,0,0]=4 29 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F WXVL_AG00183SD0003 [0,2,0,0,0,0|2,0,0]=4 30 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I WXVL_AG00183SD0303 [0,2,0,0,0,0|2,0,0]=4 31 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I WXVL_AG00183SD0303 [0,2,0,0,0,0|2,0,0]=4 32 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2O WXVL_AG00183SD00056 [0,2,0,0,0,0|2,0,0]=4 33 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2O WXVL_AG00183SD00056 [0,2,0,0,0,0|2,0,0]=4 34 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2S WXVL_AG00183SD0153 [0,2,0,0,0,0|2,0,0]=4 35 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2S WXVL_AG00183SD0153 [0,2,0,0,0,0|2,0,0]=4 36 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 WXVL_AG0027SD0001 [0,2,0,0,0,0|2,0,0]=4 37 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 WXVL_AG0027SD0001 [0,2,0,0,0,0|2,0,0]=4 38 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 WXVL_AG00180SD0001 [0,2,0,0,0,0|2,0,0]=4 39 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 WXVL_AG00180SD0001 [0,2,0,0,0,0|2,0,0]=4 40 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 WXVL_AG00129SD0001 [0,2,0,0,0,0|2,0,0]=4 41 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 WXVL_AG00129SD0001 [0,2,0,0,0,0|2,0,0]=4 42 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 WXVL_AG0385SD0001 [0,2,0,0,0,0|2,0,0]=4 43 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 WXVL_AG0385SD0001 [0,2,0,0,0,0|2,0,0]=4 44 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 WXVL_AG00183SD0078 [0,2,0,0,0,0|2,0,0]=4 45 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 WXVL_AG00183SD0078 [0,2,0,0,0,0|2,0,0]=4 46 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br WXVL_AG00183SD0060 [0,2,0,0,0,0|2,0,0]=4 47 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br WXVL_AG00183SD0060 [0,2,0,0,0,0|2,0,0]=4 48 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl WXVL_AG00183SD0062 [0,2,0,0,0,0|2,0,0]=4 49 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl WXVL_AG00183SD0062 [0,2,0,0,0,0|2,0,0]=4 50 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F WXVL_AG00183SD0061 [0,2,0,0,0,0|2,0,0]=4 51 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F WXVL_AG00183SD0061 [0,2,0,0,0,0|2,0,0]=4 52 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I WXVL_AG00183SD0421 [0,2,0,0,0,0|2,0,0]=4 53 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I WXVL_AG00183SD0421 [0,2,0,0,0,0|2,0,0]=4 54 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O WXVL_AG00183SD0069 [0,2,0,0,0,0|2,0,0]=4 55 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O WXVL_AG00183SD0069 [0,2,0,0,0,0|2,0,0]=4 56 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)S WXVL_AG00183SD0154 [0,2,0,0,0,0|2,0,0]=4 57 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)S WXVL_AG00183SD0154 [0,2,0,0,0,0|2,0,0]=4 58 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 WXVL_AG0062SD0001 [0,2,0,0,0,0|2,0,0]=4 59 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 WXVL_AG0062SD0001 [0,2,0,0,0,0|2,0,0]=4 60 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 WXVL_AG1742SD0001 [0,2,0,0,0,0|2,0,0]=4 61 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 WXVL_AG1742SD0001 [0,2,0,0,0,0|2,0,0]=4 62 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 WXVL_AG00183SD0056 [0,2,0,0,0,0|2,0,0]=4 63 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 WXVL_AG00183SD0056 [0,2,0,0,0,0|2,0,0]=4 64 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br WXVL_AG00183SD0041 [0,2,0,0,0,0|2,0,0]=4 65 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br WXVL_AG00183SD0041 [0,2,0,0,0,0|2,0,0]=4 66 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl WXVL_AG00183SD0045 [0,2,0,0,0,0|2,0,0]=4 67 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl WXVL_AG00183SD0045 [0,2,0,0,0,0|2,0,0]=4 68 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F WXVL_AG00183SD0043 [0,2,0,0,0,0|2,0,0]=4 69 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F WXVL_AG00183SD0043 [0,2,0,0,0,0|2,0,0]=4 70 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I WXVL_AG00183SD0405 [0,2,0,0,0,0|2,0,0]=4 71 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I WXVL_AG00183SD0405 [0,2,0,0,0,0|2,0,0]=4 72 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O WXVL_AG00183SD1724 [0,2,0,0,0,0|2,0,0]=4 73 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O WXVL_AG00183SD1724 [0,2,0,0,0,0|2,0,0]=4 74 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 WXVL_AG0052SD0001 [0,2,0,0,0,0|2,0,0]=4 75 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 WXVL_AG0052SD0001 [0,2,0,0,0,0|2,0,0]=4 76 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 WXVL_AG0649SD0001 [0,2,0,0,0,0|2,0,0]=4 77 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 WXVL_AG0649SD0001 [0,2,0,0,0,0|2,0,0]=4 78 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 WXVL_AG00200SD0001 [0,2,0,0,0,0|2,0,0]=4 79 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 WXVL_AG00200SD0001 [0,2,0,0,0,0|2,0,0]=4 80 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 WXVL_LR0526BT0919 [0,0,0,1,0,1|1,0,0]=3 81 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 WXVL_LR0526BT1115 [0,0,0,1,0,1|1,0,0]=3 82 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 WXVL_LR0526BT2957 [0,0,0,1,0,1|1,0,0]=3 83 B17R3.8 c1ccc(cc1)c2csc3c2cccn3 WXVL_LR0769BT0919 [0,0,0,1,0,1|2,0,0]=4 84 B17R3.8 c1ccc(cc1)c2csc3c2cccn3 WXVL_LR0769BT1115 [0,0,0,1,0,1|2,0,0]=4 85 B17R3.8 c1ccc(cc1)c2csc3c2cccn3 WXVL_LR0769BT2957 [0,0,0,1,0,1|2,0,0]=4 86 B17R3.8 c1ccc(cc1)c2csc3c2ccnc3 WXVL_LR0782BT0919 [0,0,0,1,0,1|2,0,0]=4 87 B17R3.8 c1ccc(cc1)c2csc3c2ccnc3 WXVL_LR0782BT1115 [0,0,0,1,0,1|2,0,0]=4 88 B17R3.8 c1ccc(cc1)c2csc3c2ccnc3 WXVL_LR0782BT2957 [0,0,0,1,0,1|2,0,0]=4 89 B17R3.8 c1ccc(cc1)c2csc3c2cncc3 WXVL_LR0788BT0919 [0,0,0,1,0,1|2,0,0]=4 90 B17R3.8 c1ccc(cc1)c2csc3c2cncc3 WXVL_LR0788BT1115 [0,0,0,1,0,1|2,0,0]=4 91 B17R3.8 c1ccc(cc1)c2csc3c2cncc3 WXVL_LR0788BT2957 [0,0,0,1,0,1|2,0,0]=4 92 B17R3.8 c1ccc(cc1)c2csc3c2nccc3 WXVL_LR1043BT0919 [0,0,0,1,0,1|2,0,0]=4 93 B17R3.8 c1ccc(cc1)c2csc3c2nccc3 WXVL_LR1043BT1115 [0,0,0,1,0,1|2,0,0]=4 94 B17R3.8 c1ccc(cc1)c2csc3c2nccc3 WXVL_LR1043BT2957 [0,0,0,1,0,1|2,0,0]=4 95 B17R3.8 c1ccc(nc1)c2csc3c2cccc3 WXVL_LR0526BT0164 [0,0,0,1,0,1|2,0,0]=4 96 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 WXVL_LR0526BT0574 [0,0,0,1,0,1|2,0,0]=4 97 B17R3.8 c1cncc(c1)c2csc3c2cccc3 WXVL_LR0526BT1208 [0,0,0,1,0,1|2,0,0]=4 98 B17R3.8 c1cncc(c1)c2csc3c2cccc3 WXVL_LR0526BT3912 [0,0,0,1,0,1|2,0,0]=4 99 B17R3.8708 c1ccc(cc1)c2cc3ccccc3o2 WXVL_LR0780BT0919 [0,1,0,1,0,0|1,1,0]=4 100 B17R3.8708 c1ccc(cc1)c2cc3ccccc3o2 WXVL_LR0780BT1115 [0,1,0,1,0,0|1,1,0]=4 101 B17R3.8708 c1ccc(cc1)c2cc3ccccc3o2 WXVL_LR0780BT2957 [0,1,0,1,0,0|1,1,0]=4 102 B17R3.8708 c1ccc(cc1)c2cc3ccccc3s2 WXVL_LR0718BT0919 [0,1,0,1,0,0|1,0,0]=3 103 B17R3.8708 c1ccc(cc1)c2cc3ccccc3s2 WXVL_LR0718BT1115 [0,1,0,1,0,0|1,0,0]=3 104 B17R3.8708 c1ccc(cc1)c2cc3ccccc3s2 WXVL_LR0718BT2957 [0,1,0,1,0,0|1,0,0]=3 105 B17R3.8708 c1ccc(cc1)c2nc3ccccc3[nH]2 WXVL_LR0645BT0919 [0,1,0,1,0,0|2,0,0]=4 106 B17R3.8708 c1ccc(cc1)c2nc3ccccc3[nH]2 WXVL_LR0645BT1115 [0,1,0,1,0,0|2,0,0]=4 107 B17R3.8708 c1ccc(cc1)c2nc3ccccc3[nH]2 WXVL_LR0645BT2957 [0,1,0,1,0,0|2,0,0]=4 108 B17R3.8708 c1ccc(cc1)c2nc3cccnc3s2 WXVL_LR0616BT0919 [0,1,0,1,0,0|2,0,0]=4 109 B17R3.8708 c1ccc(cc1)c2nc3cccnc3s2 WXVL_LR0616BT1115 [0,1,0,1,0,0|2,0,0]=4 110 B17R3.8708 c1ccc(cc1)c2nc3cccnc3s2 WXVL_LR0616BT2957 [0,1,0,1,0,0|2,0,0]=4 111 B17R3.8708 c1ccc(nc1)c2cc3ccccc3s2 WXVL_LR0718BT0164 [0,1,0,1,0,0|2,0,0]=4 112 B17R3.8708 c1ccc2sc(cc2c1)c3ccncc3 WXVL_LR0718BT0574 [0,1,0,1,0,0|2,0,0]=4 113 B17R3.8708 c1cncc(c1)c2cc3ccccc3s2 WXVL_LR0718BT1208 [0,1,0,1,0,0|2,0,0]=4 114 B17R3.8708 c1cncc(c1)c2cc3ccccc3s2 WXVL_LR0718BT3912 [0,1,0,1,0,0|2,0,0]=4