0 B15R2.1259 O=C(Nc1cc[nH]n1)c2ccccc2 WXVL_AF2373SD0001 [1,0,0,0,0,0|3,0,0]=4 1 B15R2.1259 O=C(Nc1cc[nH]n1)c2ccccc2 WXVL_AF2373SD0001 [1,0,0,0,0,0|3,0,0]=4 2 B15R2.1259 O=C(Nc1ccn[nH]1)c2ccccc2 WXVL_AF0122SD0001 [1,0,0,0,0,0|3,0,0]=4 3 B15R2.1259 O=C(Nc1ccn[nH]1)c2ccccc2 WXVL_AF0122SD0001 [1,0,0,0,0,0|3,0,0]=4 4 B15R2.1259 O=C(Nc1ccno1)c2ccccc2 WXVL_AF0588SD0001 [1,0,0,0,0,0|2,0,0]=3 5 B15R2.1259 O=C(Nc1ccno1)c2ccccc2 WXVL_AF0588SD0001 [1,0,0,0,0,0|2,0,0]=3 6 B15R2.1259 O=C(Nc1ccno1)c2ccccn2 WXVL_AF0588SC0058 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.1259 O=C(Nc1ccno1)c2ccccn2 WXVL_AF0588SC0058 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.1259 O=C(Nc1ccno1)c2cccnc2 WXVL_AF0588SC0061 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.1259 O=C(Nc1ccno1)c2cccnc2 WXVL_AF0588SC0061 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.1259 O=C(Nc1ccno1)c2ccncc2 WXVL_AF0588SC0062 [1,0,0,0,0,0|3,0,0]=4 11 B15R2.1259 O=C(Nc1ccno1)c2ccncc2 WXVL_AF0588SC0062 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.1259 O=C(Nc1ccns1)c2ccccc2 WXVL_AF00325SD0001 [1,0,0,0,0,0|2,1,0]=4 13 B15R2.1259 O=C(Nc1ccns1)c2ccccc2 WXVL_AF00325SD0001 [1,0,0,0,0,0|2,1,0]=4 14 B15R2.1259 O=C(Nc1ccon1)c2ccccc2 WXVL_AF0028SD0001 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.1259 O=C(Nc1ccon1)c2ccccc2 WXVL_AF0028SD0001 [1,0,0,0,0,0|3,0,0]=4 16 B15R2.1259 O=C(Nc1ccsc1)c2ccccc2 WXVL_AF00105SD0001 [1,0,0,0,0,0|3,0,0]=4 17 B15R2.1259 O=C(Nc1ccsc1)c2ccccc2 WXVL_AF00105SD0001 [1,0,0,0,0,0|3,0,0]=4 18 B15R2.1259 O=C(Nc1cnc[nH]1)c2ccccc2 WXVL_AF00103SD0001 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.1259 O=C(Nc1cnc[nH]1)c2ccccc2 WXVL_AF00103SD0001 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.1259 O=C(Nc1cncs1)c2ccccc2 WXVL_AF0724SD0001 [1,0,0,0,0,0|2,1,0]=4 21 B15R2.1259 O=C(Nc1cncs1)c2ccccc2 WXVL_AF0724SD0001 [1,0,0,0,0,0|2,1,0]=4 22 B15R2.1259 O=C(Nc1cscn1)c2ccccc2 WXVL_AF00216SD0001 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.1259 O=C(Nc1cscn1)c2ccccc2 WXVL_AF00216SD0001 [1,0,0,0,0,0|3,0,0]=4 24 B15R2.1259 O=C(Nc1ncc[nH]1)c2ccccc2 WXVL_AF0297SD0001 [1,0,0,0,0,0|3,0,0]=4 25 B15R2.1259 O=C(Nc1ncc[nH]1)c2ccccc2 WXVL_AF0297SD0001 [1,0,0,0,0,0|3,0,0]=4 26 B15R2.1259 O=C(Nc1ncco1)c2ccccc2 WXVL_AF0235SD0001 [1,0,0,0,0,0|2,0,0]=3 27 B15R2.1259 O=C(Nc1ncco1)c2ccccc2 WXVL_AF0235SD0001 [1,0,0,0,0,0|2,0,0]=3 28 B15R2.1259 O=C(Nc1ncco1)c2ccccn2 WXVL_AF0235SC0058 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.1259 O=C(Nc1ncco1)c2ccccn2 WXVL_AF0235SC0058 [1,0,0,0,0,0|3,0,0]=4 30 B15R2.1259 O=C(Nc1ncco1)c2cccnc2 WXVL_AF0235SC0061 [1,0,0,0,0,0|3,0,0]=4 31 B15R2.1259 O=C(Nc1ncco1)c2cccnc2 WXVL_AF0235SC0061 [1,0,0,0,0,0|3,0,0]=4 32 B15R2.1259 O=C(Nc1ncco1)c2ccncc2 WXVL_AF0235SC0062 [1,0,0,0,0,0|3,0,0]=4 33 B15R2.1259 O=C(Nc1ncco1)c2ccncc2 WXVL_AF0235SC0062 [1,0,0,0,0,0|3,0,0]=4 34 B15R2.1259 O=C(Nc1nccs1)c2ccccc2 WXVL_AF0003SD0001 [1,0,0,0,0,0|2,1,0]=4 35 B15R2.1259 O=C(Nc1nccs1)c2ccccc2 WXVL_AF0003SD0001 [1,0,0,0,0,0|2,1,0]=4 36 B15R2.1259 O=C(Nc1nnco1)c2ccccc2 WXVL_AF0087SD0001 [1,0,0,0,0,0|3,0,0]=4 37 B15R2.1259 O=C(Nc1nnco1)c2ccccc2 WXVL_AF0087SD0001 [1,0,0,0,0,0|3,0,0]=4 38 B16R2.125 Cc1ccc(cc1)C(=O)Nc2ccno2 WXVL_AF0588SD0078 [1,1,0,0,0,0|2,0,0]=4 39 B16R2.125 Cc1ccc(cc1)C(=O)Nc2ccno2 WXVL_AF0588SD0078 [1,1,0,0,0,0|2,0,0]=4 40 B16R2.125 Cc1ccc(cc1)C(=O)Nc2ncco2 WXVL_AF0235SD0078 [1,1,0,0,0,0|2,0,0]=4 41 B16R2.125 Cc1ccc(cc1)C(=O)Nc2ncco2 WXVL_AF0235SD0078 [1,1,0,0,0,0|2,0,0]=4 42 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)Br WXVL_AF0588SD0060 [1,1,0,0,0,0|2,0,0]=4 43 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)Br WXVL_AF0588SD0060 [1,1,0,0,0,0|2,0,0]=4 44 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)Cl WXVL_AF0588SD0062 [1,1,0,0,0,0|2,0,0]=4 45 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)Cl WXVL_AF0588SD0062 [1,1,0,0,0,0|2,0,0]=4 46 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)F WXVL_AF0588SD0061 [1,1,0,0,0,0|2,0,0]=4 47 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)F WXVL_AF0588SD0061 [1,1,0,0,0,0|2,0,0]=4 48 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)I WXVL_AF0588SD0421 [1,1,0,0,0,0|2,0,0]=4 49 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)I WXVL_AF0588SD0421 [1,1,0,0,0,0|2,0,0]=4 50 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)O WXVL_AF0588SD0069 [1,1,0,0,0,0|2,0,0]=4 51 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)O WXVL_AF0588SD0069 [1,1,0,0,0,0|2,0,0]=4 52 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)S WXVL_AF0588SD0154 [1,1,0,0,0,0|2,0,0]=4 53 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)S WXVL_AF0588SD0154 [1,1,0,0,0,0|2,0,0]=4 54 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)Br WXVL_AF0235SD0060 [1,1,0,0,0,0|2,0,0]=4 55 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)Br WXVL_AF0235SD0060 [1,1,0,0,0,0|2,0,0]=4 56 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)Cl WXVL_AF0235SD0062 [1,1,0,0,0,0|2,0,0]=4 57 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)Cl WXVL_AF0235SD0062 [1,1,0,0,0,0|2,0,0]=4 58 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)F WXVL_AF0235SD0061 [1,1,0,0,0,0|2,0,0]=4 59 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)F WXVL_AF0235SD0061 [1,1,0,0,0,0|2,0,0]=4 60 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)I WXVL_AF0235SD0421 [1,1,0,0,0,0|2,0,0]=4 61 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)I WXVL_AF0235SD0421 [1,1,0,0,0,0|2,0,0]=4 62 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)O WXVL_AF0235SD0069 [1,1,0,0,0,0|2,0,0]=4 63 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)O WXVL_AF0235SD0069 [1,1,0,0,0,0|2,0,0]=4 64 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)S WXVL_AF0235SD0154 [1,1,0,0,0,0|2,0,0]=4 65 B16R2.125 O=C(Nc1ncco1)c2ccc(cc2)S WXVL_AF0235SD0154 [1,1,0,0,0,0|2,0,0]=4 66 B16R2.243 Cc1cccc(c1)C(=O)Nc2ccno2 WXVL_AF0588SD0056 [1,1,0,0,0,0|2,0,0]=4 67 B16R2.243 Cc1cccc(c1)C(=O)Nc2ccno2 WXVL_AF0588SD0056 [1,1,0,0,0,0|2,0,0]=4 68 B16R2.243 Cc1cccc(c1)C(=O)Nc2ncco2 WXVL_AF0235SD0056 [1,1,0,0,0,0|2,0,0]=4 69 B16R2.243 Cc1cccc(c1)C(=O)Nc2ncco2 WXVL_AF0235SD0056 [1,1,0,0,0,0|2,0,0]=4 70 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)Br WXVL_AF0588SD0041 [1,1,0,0,0,0|2,0,0]=4 71 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)Br WXVL_AF0588SD0041 [1,1,0,0,0,0|2,0,0]=4 72 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)Cl WXVL_AF0588SD0045 [1,1,0,0,0,0|2,0,0]=4 73 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)Cl WXVL_AF0588SD0045 [1,1,0,0,0,0|2,0,0]=4 74 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)F WXVL_AF0588SD0043 [1,1,0,0,0,0|2,0,0]=4 75 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)F WXVL_AF0588SD0043 [1,1,0,0,0,0|2,0,0]=4 76 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)I WXVL_AF0588SD0405 [1,1,0,0,0,0|2,0,0]=4 77 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)I WXVL_AF0588SD0405 [1,1,0,0,0,0|2,0,0]=4 78 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)O WXVL_AF0588SD1724 [1,1,0,0,0,0|2,0,0]=4 79 B16R2.243 O=C(Nc1ccno1)c2cccc(c2)O WXVL_AF0588SD1724 [1,1,0,0,0,0|2,0,0]=4 80 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)Br WXVL_AF0235SD0041 [1,1,0,0,0,0|2,0,0]=4 81 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)Br WXVL_AF0235SD0041 [1,1,0,0,0,0|2,0,0]=4 82 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)Cl WXVL_AF0235SD0045 [1,1,0,0,0,0|2,0,0]=4 83 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)Cl WXVL_AF0235SD0045 [1,1,0,0,0,0|2,0,0]=4 84 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)F WXVL_AF0235SD0043 [1,1,0,0,0,0|2,0,0]=4 85 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)F WXVL_AF0235SD0043 [1,1,0,0,0,0|2,0,0]=4 86 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)I WXVL_AF0235SD0405 [1,1,0,0,0,0|2,0,0]=4 87 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)I WXVL_AF0235SD0405 [1,1,0,0,0,0|2,0,0]=4 88 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)O WXVL_AF0235SD1724 [1,1,0,0,0,0|2,0,0]=4 89 B16R2.243 O=C(Nc1ncco1)c2cccc(c2)O WXVL_AF0235SD1724 [1,1,0,0,0,0|2,0,0]=4 90 B16R2.2829 Cc1cc(on1)NC(=O)c2ccccc2 WXVL_AF0001SD0001 [1,1,0,0,0,0|2,0,0]=4 91 B16R2.2829 Cc1cc(on1)NC(=O)c2ccccc2 WXVL_AF0001SD0001 [1,1,0,0,0,0|2,0,0]=4 92 B16R2.2829 Cc1coc(n1)NC(=O)c2ccccc2 WXVL_AF0249SD0001 [1,1,0,0,0,0|2,0,0]=4 93 B16R2.2829 Cc1coc(n1)NC(=O)c2ccccc2 WXVL_AF0249SD0001 [1,1,0,0,0,0|2,0,0]=4 94 B16R2.2965 Cc1ccccc1C(=O)Nc2ccno2 WXVL_AF0588SD0037 [1,1,0,0,0,0|2,0,0]=4 95 B16R2.2965 Cc1ccccc1C(=O)Nc2ccno2 WXVL_AF0588SD0037 [1,1,0,0,0,0|2,0,0]=4 96 B16R2.2965 Cc1ccccc1C(=O)Nc2ncco2 WXVL_AF0235SD0037 [1,1,0,0,0,0|2,0,0]=4 97 B16R2.2965 Cc1ccccc1C(=O)Nc2ncco2 WXVL_AF0235SD0037 [1,1,0,0,0,0|2,0,0]=4 98 B16R2.2965 O=C(Nc1ccno1)c2ccccc2Br WXVL_AF0588SD0002 [1,1,0,0,0,0|2,0,0]=4 99 B16R2.2965 O=C(Nc1ccno1)c2ccccc2Br WXVL_AF0588SD0002 [1,1,0,0,0,0|2,0,0]=4 100 B16R2.2965 O=C(Nc1ccno1)c2ccccc2Cl WXVL_AF0588SD0006 [1,1,0,0,0,0|2,0,0]=4 101 B16R2.2965 O=C(Nc1ccno1)c2ccccc2Cl WXVL_AF0588SD0006 [1,1,0,0,0,0|2,0,0]=4 102 B16R2.2965 O=C(Nc1ccno1)c2ccccc2F WXVL_AF0588SD0003 [1,1,0,0,0,0|2,0,0]=4 103 B16R2.2965 O=C(Nc1ccno1)c2ccccc2F WXVL_AF0588SD0003 [1,1,0,0,0,0|2,0,0]=4 104 B16R2.2965 O=C(Nc1ccno1)c2ccccc2I WXVL_AF0588SD0303 [1,1,0,0,0,0|2,0,0]=4 105 B16R2.2965 O=C(Nc1ccno1)c2ccccc2I WXVL_AF0588SD0303 [1,1,0,0,0,0|2,0,0]=4 106 B16R2.2965 O=C(Nc1ccno1)c2ccccc2O WXVL_AF0588SD00056 [1,1,0,0,0,0|2,0,0]=4 107 B16R2.2965 O=C(Nc1ccno1)c2ccccc2O WXVL_AF0588SD00056 [1,1,0,0,0,0|2,0,0]=4 108 B16R2.2965 O=C(Nc1ccno1)c2ccccc2S WXVL_AF0588SD0153 [1,1,0,0,0,0|2,0,0]=4 109 B16R2.2965 O=C(Nc1ccno1)c2ccccc2S WXVL_AF0588SD0153 [1,1,0,0,0,0|2,0,0]=4 110 B16R2.2965 O=C(Nc1ncco1)c2ccccc2Br WXVL_AF0235SD0002 [1,1,0,0,0,0|2,0,0]=4 111 B16R2.2965 O=C(Nc1ncco1)c2ccccc2Br WXVL_AF0235SD0002 [1,1,0,0,0,0|2,0,0]=4 112 B16R2.2965 O=C(Nc1ncco1)c2ccccc2Cl WXVL_AF0235SD0006 [1,1,0,0,0,0|2,0,0]=4 113 B16R2.2965 O=C(Nc1ncco1)c2ccccc2Cl WXVL_AF0235SD0006 [1,1,0,0,0,0|2,0,0]=4 114 B16R2.2965 O=C(Nc1ncco1)c2ccccc2F WXVL_AF0235SD0003 [1,1,0,0,0,0|2,0,0]=4 115 B16R2.2965 O=C(Nc1ncco1)c2ccccc2F WXVL_AF0235SD0003 [1,1,0,0,0,0|2,0,0]=4 116 B16R2.2965 O=C(Nc1ncco1)c2ccccc2I WXVL_AF0235SD0303 [1,1,0,0,0,0|2,0,0]=4 117 B16R2.2965 O=C(Nc1ncco1)c2ccccc2I WXVL_AF0235SD0303 [1,1,0,0,0,0|2,0,0]=4 118 B16R2.2965 O=C(Nc1ncco1)c2ccccc2O WXVL_AF0235SD00056 [1,1,0,0,0,0|2,0,0]=4 119 B16R2.2965 O=C(Nc1ncco1)c2ccccc2O WXVL_AF0235SD00056 [1,1,0,0,0,0|2,0,0]=4 120 B16R2.2965 O=C(Nc1ncco1)c2ccccc2S WXVL_AF0235SD0153 [1,1,0,0,0,0|2,0,0]=4 121 B16R2.2965 O=C(Nc1ncco1)c2ccccc2S WXVL_AF0235SD0153 [1,1,0,0,0,0|2,0,0]=4 122 B16R2.24 Cc1c(cccc1c2ccccc2)C=O WXVL_QS2266BT0919 [0,0,1,1,0,0|1,0,1]=4 123 B16R2.24 Cc1c(cccc1c2ccccc2)C=O WXVL_QS2266BT1115 [0,0,1,1,0,0|1,0,1]=4 124 B16R2.24 Cc1c(cccc1c2ccccc2)C=O WXVL_QS2266BT2957 [0,0,1,1,0,0|1,0,1]=4 125 B16R2.24 O=Cc1cccc(c1Br)c2ccccc2 WXVL_QS1866BT0919 [0,0,1,1,0,0|1,0,1]=4 126 B16R2.24 O=Cc1cccc(c1Br)c2ccccc2 WXVL_QS1866BT1115 [0,0,1,1,0,0|1,0,1]=4 127 B16R2.24 O=Cc1cccc(c1Br)c2ccccc2 WXVL_QS1866BT2957 [0,0,1,1,0,0|1,0,1]=4 128 B16R2.24 O=Cc1cccc(c1Cl)c2ccccc2 WXVL_QS2215BT0919 [0,0,1,1,0,0|1,0,1]=4 129 B16R2.24 O=Cc1cccc(c1Cl)c2ccccc2 WXVL_QS2215BT1115 [0,0,1,1,0,0|1,0,1]=4 130 B16R2.24 O=Cc1cccc(c1Cl)c2ccccc2 WXVL_QS2215BT2957 [0,0,1,1,0,0|1,0,1]=4 131 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 WXVL_QS0835BT0919 [0,0,1,1,0,0|1,0,1]=4 132 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 WXVL_QS0835BT1115 [0,0,1,1,0,0|1,0,1]=4 133 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 WXVL_QS0835BT2957 [0,0,1,1,0,0|1,0,1]=4 134 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 WXVL_QS0433BT0919 [0,0,1,1,0,0|0,0,2]=4 135 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 WXVL_QS0433BT1115 [0,0,1,1,0,0|0,0,2]=4 136 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 WXVL_QS0433BT2957 [0,0,1,1,0,0|0,0,2]=4 137 B16R2.9360 Cc1ccc(c(c1c2ccco2)C=O)F WXVL_QS2242BT1995 [0,0,1,1,0,0|1,0,1]=4 138 B16R2.9360 O=Cc1c(ccc(c1c2ccco2)Cl)F WXVL_QS1849BT1995 [0,0,1,1,0,0|2,0,0]=4 139 B16R2.9360 O=Cc1c(ccc(c1c2ccco2)F)O WXVL_QS5053BT1995 [0,0,1,1,0,0|2,0,0]=4 140 B16R2.37063 COc1cccc(c1c2ccco2)C=O WXVL_QS2590BT1995 [0,0,1,1,0,0|1,0,1]=4 141 B16R2.37063 O=Cc1cccc(c1c2ccco2)C=O WXVL_QS0436BT1995 [0,0,1,1,0,0|1,0,0]=3 142 B16R2.37063 O=Cc1cccc(c1c2cccs2)C=O WXVL_QS0436BT1547 [0,0,1,1,0,0|1,1,0]=4 143 B16R2.37063 O=Cc1cccc(c1c2cccs2)C=O WXVL_QS0436BT4023 [0,0,1,1,0,0|1,1,0]=4 144 B16R2.37063 O=Cc1cccc(c1c2cccs2)C=O WXVL_QS0436BT5079 [0,0,1,1,0,0|1,1,0]=4 145 B16R2.2279 O=Cc1ccc(cc1O)c2ccccc2 WXVL_QS0398BT0919 [0,0,1,1,0,0|2,0,0]=4 146 B16R2.2279 O=Cc1ccc(cc1O)c2ccccc2 WXVL_QS0398BT1115 [0,0,1,1,0,0|2,0,0]=4 147 B16R2.2279 O=Cc1ccc(cc1O)c2ccccc2 WXVL_QS0398BT2957 [0,0,1,1,0,0|2,0,0]=4 148 B16R2.1955 COc1cccc(c1C=O)c2ccco2 WXVL_QS2282BT1995 [0,0,1,1,0,0|1,0,1]=4 149 B16R3.8 c1coc(c1)c2c[nH]c3c2cccn3 WXVL_LR0626BT1995 [0,0,0,1,1,0|2,0,0]=4 150 B16R3.8 c1coc(c1)c2c[nH]c3c2cncc3 WXVL_LR0785BT1995 [0,0,0,1,1,0|2,0,0]=4 151 B16R3.8 c1coc(c1)c2c[nH]c3c2nccc3 WXVL_LR0638BT1995 [0,0,0,1,1,0|2,0,0]=4 152 B16R3.8 c1coc(c1)c2cnn3c2cccc3 WXVL_LR0403BT1995 [0,0,0,1,1,0|2,0,0]=4 153 B16R3.8 c1coc(c1)c2coc3c2nccc3 WXVL_LR1038BT1995 [0,0,0,1,1,0|1,0,1]=4 154 B16R3.8 c1coc(c1)c2csc3c2cccc3 WXVL_LR0526BT1995 [0,0,0,1,1,0|0,1,0]=3 155 B16R3.8 c1coc(c1)c2csc3c2cccn3 WXVL_LR0769BT1995 [0,0,0,1,1,0|1,1,0]=4 156 B16R3.8 c1coc(c1)c2csc3c2ccnc3 WXVL_LR0782BT1995 [0,0,0,1,1,0|1,1,0]=4 157 B16R3.8 c1coc(c1)c2csc3c2cncc3 WXVL_LR0788BT1995 [0,0,0,1,1,0|1,1,0]=4 158 B16R3.8 c1coc(c1)c2csc3c2nccc3 WXVL_LR1043BT1995 [0,0,0,1,1,0|1,1,0]=4 159 B16R3.8 c1csc(c1)c2c[nH]c3c2cccc3 WXVL_LR0498BT4853 [0,0,0,1,1,0|1,1,0]=4 160 B16R3.8 c1csc(c1)c2coc3c2cccc3 WXVL_LR0498BT1427 [0,0,0,1,1,0|0,1,1]=4 161 B16R3.8 c1csc(c1)c2coc3c2cccc3 WXVL_LR0498BT1935 [0,0,0,1,1,0|0,1,1]=4 162 B16R3.8 c1csc(c1)c2csc3c2cccc3 WXVL_LR0498BT1390 [0,0,0,1,1,0|0,2,0]=4 163 B16R3.8 c1csc(c1)c2csc3c2cccc3 WXVL_LR0498BT1730 [0,0,0,1,1,0|0,2,0]=4 164 B16R3.8 c1csc(c1)c2csc3c2cccc3 WXVL_LR0526BT1547 [0,0,0,1,1,0|0,2,0]=4 165 B16R3.8 c1csc(c1)c2csc3c2cccc3 WXVL_LR0526BT4023 [0,0,0,1,1,0|0,2,0]=4 166 B16R3.8 c1csc(c1)c2csc3c2cccc3 WXVL_LR0526BT5079 [0,0,0,1,1,0|0,2,0]=4 167 B16R3.1795 c1ccc(cc1)c2csc3c2scc3 WXVL_LR0723BT0919 [0,0,0,1,1,0|0,2,0]=4 168 B16R3.1795 c1ccc(cc1)c2csc3c2scc3 WXVL_LR0723BT1115 [0,0,0,1,1,0|0,2,0]=4 169 B16R3.1795 c1ccc(cc1)c2csc3c2scc3 WXVL_LR0723BT2957 [0,0,0,1,1,0|0,2,0]=4 170 B16R3.1779 c1csc(c1)c2ccc3ccoc3c2 WXVL_LR0498BT0419 [0,0,0,1,1,0|2,0,0]=4 171 B18R3.15 c1ccc(cc1)c2ccc(s2)c3ccco3 WXVL_LR0643BT1995 [0,0,0,1,0,1|1,0,0]=3 172 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 WXVL_LR0498BT0926 [0,0,0,1,0,1|1,1,0]=4 173 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 WXVL_LR0498BT2166 [0,0,0,1,0,1|1,1,0]=4 174 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 WXVL_LR0643BT1547 [0,0,0,1,0,1|1,1,0]=4 175 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 WXVL_LR0643BT4023 [0,0,0,1,0,1|1,1,0]=4 176 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 WXVL_LR0643BT5079 [0,0,0,1,0,1|1,1,0]=4 177 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 WXVL_LR0692BT0919 [0,0,0,1,0,1|1,1,0]=4 178 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 WXVL_LR0692BT1115 [0,0,0,1,0,1|1,1,0]=4 179 B18R3.15 c1ccc(cc1)c2ccc(s2)c3cccs3 WXVL_LR0692BT2957 [0,0,0,1,0,1|1,1,0]=4 180 B18R3.15 c1ccc(cc1)c2cnc(s2)c3ccco3 WXVL_LR0903BT1995 [0,0,0,1,0,1|1,0,0]=3 181 B18R3.15 c1ccc(cc1)c2cnc(s2)c3cccs3 WXVL_LR0903BT1547 [0,0,0,1,0,1|1,1,0]=4 182 B18R3.15 c1ccc(cc1)c2cnc(s2)c3cccs3 WXVL_LR0903BT4023 [0,0,0,1,0,1|1,1,0]=4 183 B18R3.15 c1ccc(cc1)c2cnc(s2)c3cccs3 WXVL_LR0903BT5079 [0,0,0,1,0,1|1,1,0]=4 184 B18R3.15 c1ccc(cc1)c2csc(c2)c3cccs3 WXVL_LR0498BT2572 [0,0,0,1,0,1|0,2,0]=4 185 B18R3.15 c1ccc(cc1)c2nc(co2)c3ccco3 WXVL_LR0816BT1995 [0,0,0,1,0,1|2,0,0]=4 186 B18R3.15 c1ccc(cc1)c2nc(no2)c3ccco3 WXVL_LR1455BT1995 [0,0,0,1,0,1|2,0,0]=4 187 B18R3.15 c1ccc(cc1)c2ncc(o2)c3ccco3 WXVL_LR0810BT1995 [0,0,0,1,0,1|2,0,0]=4 188 B18R3.15 c1ccc(cc1)c2ncc(s2)c3ccco3 WXVL_LR1124BT1995 [0,0,0,1,0,1|2,0,0]=4 189 B18R3.15 c1ccc(cc1)c2nnc(o2)c3ccco3 WXVL_LR0586BT1995 [0,0,0,1,0,1|2,0,0]=4 190 B18R3.2107 c1ccc(cc1)c2cscc2c3ccco3 WXVL_LR0452BT1995 [0,1,0,1,0,0|0,1,0]=3 191 B18R3.2107 c1ccc(cc1)c2cscc2c3cccs3 WXVL_LR0452BT1547 [0,1,0,1,0,0|0,2,0]=4 192 B18R3.2107 c1ccc(cc1)c2cscc2c3cccs3 WXVL_LR0452BT4023 [0,1,0,1,0,0|0,2,0]=4 193 B18R3.2107 c1ccc(cc1)c2cscc2c3cccs3 WXVL_LR0452BT5079 [0,1,0,1,0,0|0,2,0]=4 194 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 WXVL_AG00183SD0001 [1,0,0,0,0,1|2,0,0]=4 195 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 WXVL_AG00183SD0001 [1,0,0,0,0,1|2,0,0]=4 196 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 WXVL_AF00298SD0001 [1,0,0,0,0,1|2,0,0]=4 197 B16R2.88 O=C(Nc1ccccn1)c2ccccc2 WXVL_AF00298SD0001 [1,0,0,0,0,1|2,0,0]=4 198 B16R2.88 O=C(Nc1cccnn1)c2ccccc2 WXVL_AF0151SD0001 [1,0,0,0,0,1|2,0,0]=4 199 B16R2.88 O=C(Nc1cccnn1)c2ccccc2 WXVL_AF0151SD0001 [1,0,0,0,0,1|2,0,0]=4 200 B16R2.88 O=C(Nc1ccncn1)c2ccccc2 WXVL_AF0139SD0001 [1,0,0,0,0,1|2,0,0]=4 201 B16R2.88 O=C(Nc1ccncn1)c2ccccc2 WXVL_AF0139SD0001 [1,0,0,0,0,1|2,0,0]=4 202 B16R2.88 O=C(Nc1cnccn1)c2ccccc2 WXVL_AF0120SD0001 [1,0,0,0,0,1|2,0,0]=4 203 B16R2.88 O=C(Nc1cnccn1)c2ccccc2 WXVL_AF0120SD0001 [1,0,0,0,0,1|2,0,0]=4 204 B16R2.524 O=C(Cc1ccccc1)Nc2ccno2 WXVL_AF0588SB0092 [1,0,0,0,0,1|2,0,0]=4 205 B16R2.524 O=C(Cc1ccccc1)Nc2ccno2 WXVL_AF0588SB0092 [1,0,0,0,0,1|2,0,0]=4 206 B16R2.524 O=C(Cc1ccccc1)Nc2ncco2 WXVL_AF0235SB0092 [1,0,0,0,0,1|2,0,0]=4 207 B16R2.524 O=C(Cc1ccccc1)Nc2ncco2 WXVL_AF0235SB0092 [1,0,0,0,0,1|2,0,0]=4 208 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 WXVL_AG00183SA0018 [1,0,0,0,0,1|0,1,1]=4 209 B16R2.524 O=C(Cc1cccs1)Nc2ccccc2 WXVL_AG00183SA0018 [1,0,0,0,0,1|0,1,1]=4 210 B16R2.5767 O=C(NCc1ccc[nH]1)c2ccccc2 WXVL_AK00759SD0001 [1,0,0,0,0,1|1,0,1]=4 211 B16R2.5767 O=C(NCc1ccc[nH]1)c2ccccc2 WXVL_AK00759SD0001 [1,0,0,0,0,1|1,0,1]=4 212 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 WXVL_AK0010SD0001 [1,0,0,0,0,1|0,0,1]=3 213 B16R2.5767 O=C(NCc1ccco1)c2ccccc2 WXVL_AK0010SD0001 [1,0,0,0,0,1|0,0,1]=3 214 B16R2.5767 O=C(NCc1ccco1)c2ccccn2 WXVL_AK0010SC0058 [1,0,0,0,0,1|1,0,1]=4 215 B16R2.5767 O=C(NCc1ccco1)c2ccccn2 WXVL_AK0010SC0058 [1,0,0,0,0,1|1,0,1]=4 216 B16R2.5767 O=C(NCc1ccco1)c2cccnc2 WXVL_AK0010SC0061 [1,0,0,0,0,1|1,0,1]=4 217 B16R2.5767 O=C(NCc1ccco1)c2cccnc2 WXVL_AK0010SC0061 [1,0,0,0,0,1|1,0,1]=4 218 B16R2.5767 O=C(NCc1ccco1)c2ccncc2 WXVL_AK0010SC0062 [1,0,0,0,0,1|1,0,1]=4 219 B16R2.5767 O=C(NCc1ccco1)c2ccncc2 WXVL_AK0010SC0062 [1,0,0,0,0,1|1,0,1]=4 220 B16R2.5767 O=C(NCc1cccs1)c2ccccc2 WXVL_AK0014SD0001 [1,0,0,0,0,1|0,1,1]=4 221 B16R2.5767 O=C(NCc1cccs1)c2ccccc2 WXVL_AK0014SD0001 [1,0,0,0,0,1|0,1,1]=4 222 B16R2.5767 O=C(NCc1cnco1)c2ccccc2 WXVL_AK1437SD0001 [1,0,0,0,0,1|1,0,1]=4 223 B16R2.5767 O=C(NCc1cnco1)c2ccccc2 WXVL_AK1437SD0001 [1,0,0,0,0,1|1,0,1]=4