0 B18R3.117422 CN(C)c1ncnc2c1oc3c2cccc3 WXVL_AN0032LP0572 [0,0,0,0,0,0|4,0,0]=4 1 B18R3.117422 CN(C)c1ncnc2c1oc3c2cccc3 WXVL_AN0032LP0572 [0,0,0,0,0,0|4,0,0]=4 2 B18R3.117422 NC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK0084SE1474 [0,0,0,0,0,0|3,0,0]=3 3 B18R3.117422 NC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK0084SE1474 [0,0,0,0,0,0|3,0,0]=3 4 B18R3.117422 NC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK0084SE1321 [0,0,0,0,0,0|3,0,0]=3 5 B18R3.117422 NC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK0084SE1321 [0,0,0,0,0,0|3,0,0]=3 6 B17R3.633 CNc1ncnc2c1oc3c2cccc3 WXVL_AK00442LP0572 [1,0,0,0,0,0|3,0,0]=4 7 B17R3.633 CNc1ncnc2c1oc3c2cccc3 WXVL_AK00442LP0572 [1,0,0,0,0,0|3,0,0]=4 8 B19R3.246468 CNC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK00442SE1474 [0,1,0,0,0,0|2,0,0]=3 9 B19R3.246468 CNC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK00442SE1474 [0,1,0,0,0,0|2,0,0]=3 10 B19R3.246468 CNC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK00442SE1321 [0,1,0,0,0,0|2,0,0]=3 11 B19R3.246468 CNC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK00442SE1321 [0,1,0,0,0,0|2,0,0]=3 12 B17R2.3948 Cc1ccccc1c2cccc(c2)C(=O)N WXVL_AK0084SD1035 [0,0,1,0,0,0|3,0,0]=4 13 B17R2.3948 Cc1ccccc1c2cccc(c2)C(=O)N WXVL_AK0084SD1035 [0,0,1,0,0,0|3,0,0]=4 14 B17R2.3948 NC(=O)c1cccc(c1)c2ccccc2Cl WXVL_AK0084SD1767 [0,0,1,0,0,0|3,0,0]=4 15 B17R2.3948 NC(=O)c1cccc(c1)c2ccccc2Cl WXVL_AK0084SD1767 [0,0,1,0,0,0|3,0,0]=4 16 B17R2.5618 CC(=O)c1ccccc1Nc2ccncn2 WXVL_AG1053LP3358 [0,0,1,0,0,0|3,0,0]=4 17 B17R2.5618 CC(=O)c1ccccc1Nc2ccncn2 WXVL_AG1053LP3358 [0,0,1,0,0,0|3,0,0]=4 18 B17R2.5618 CC(=O)c1ccccc1Nc2ncccn2 WXVL_AG1053LP0002 [0,0,1,0,0,0|3,0,0]=4 19 B17R2.5618 CC(=O)c1ccccc1Nc2ncccn2 WXVL_AG1053LP0002 [0,0,1,0,0,0|3,0,0]=4 20 B17R2.5618 NC(=O)c1ccccc1Cc2ccccc2 WXVL_AK0084SD0039 [0,0,1,0,0,0|3,0,0]=4 21 B17R2.5618 NC(=O)c1ccccc1Cc2ccccc2 WXVL_AK0084SD0039 [0,0,1,0,0,0|3,0,0]=4 22 B17R2.5618 NC(=O)c1ccccc1Oc2ccccc2 WXVL_AK0084SD0015 [0,0,1,0,0,0|3,0,0]=4 23 B17R2.5618 NC(=O)c1ccccc1Oc2ccccc2 WXVL_AK0084SD0015 [0,0,1,0,0,0|3,0,0]=4 24 B17R2.5618 NC(=O)c1ncccc1Nc2ccncn2 WXVL_AF1129LP3358 [0,0,1,0,0,0|3,0,0]=4 25 B17R2.5618 NC(=O)c1ncccc1Nc2ccncn2 WXVL_AF1129LP3358 [0,0,1,0,0,0|3,0,0]=4 26 B17R2.5618 NC(=O)c1ncccc1Nc2ncccn2 WXVL_AF1129LP0002 [0,0,1,0,0,0|3,0,0]=4 27 B17R2.5618 NC(=O)c1ncccc1Nc2ncccn2 WXVL_AF1129LP0002 [0,0,1,0,0,0|3,0,0]=4 28 B17R2.24238 NC(=O)c1cccc(c1O)c2ccccc2 WXVL_AK0084SD0258 [0,0,1,0,0,0|3,0,0]=4 29 B17R2.24238 NC(=O)c1cccc(c1O)c2ccccc2 WXVL_AK0084SD0258 [0,0,1,0,0,0|3,0,0]=4 30 B19R3.197545 CC(=O)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB0150 [0,0,0,0,0,1|2,0,0]=3 31 B19R3.197545 CC(=O)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB0150 [0,0,0,0,0,1|2,0,0]=3 32 B19R3.655141 NC(=O)c1cccc2c1nc3c(c2)cccc3 WXVL_AK0084SD00137 [0,0,0,0,0,1|2,0,1]=4 33 B19R3.655141 NC(=O)c1cccc2c1nc3c(c2)cccc3 WXVL_AK0084SD00137 [0,0,0,0,0,1|2,0,1]=4 34 B16R2.86 NC(=O)c1cccc(c1)c2ccccc2 WXVL_AK0084SD0423 [1,0,1,0,0,0|2,0,0]=4 35 B16R2.86 NC(=O)c1cccc(c1)c2ccccc2 WXVL_AK0084SD0423 [1,0,1,0,0,0|2,0,0]=4 36 B16R2.2415 Cc1ccccc1c2cccc(c2)C=O WXVL_QS0055BT1515 [1,0,1,0,0,0|2,0,0]=4 37 B16R2.2415 Cc1ccccc1c2cccc(c2)C=O WXVL_QS0055BT4142 [1,0,1,0,0,0|2,0,0]=4 38 B16R2.2415 Cc1ccccc1c2cccc(c2)C=O WXVL_QS0055BT9252 [1,0,1,0,0,0|2,0,0]=4 39 B16R2.2415 Cc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT1515 [1,0,1,0,0,0|1,0,0]=3 40 B16R2.2415 Cc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT4142 [1,0,1,0,0,0|1,0,0]=3 41 B16R2.2415 Cc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT9252 [1,0,1,0,0,0|1,0,0]=3 42 B16R2.2415 Cc1ccncc1c2ccnc(c2)C=O WXVL_QS1135BT2595 [1,0,1,0,0,0|2,0,0]=4 43 B16R2.2415 Cc1cnccc1c2ccnc(c2)C=O WXVL_QS1135BT9635 [1,0,1,0,0,0|2,0,0]=4 44 B16R2.2415 Cc1ncccc1c2ccnc(c2)C=O WXVL_QS1135BT1625 [1,0,1,0,0,0|2,0,0]=4 45 B16R2.2415 Cc1ncccc1c2ccnc(c2)C=O WXVL_QS1135BT1871 [1,0,1,0,0,0|2,0,0]=4 46 B16R2.2415 O=Cc1cc(ccn1)c2ccccc2F WXVL_QS1135BT1435 [1,0,1,0,0,0|1,0,0]=3 47 B16R2.2415 O=Cc1cc(ccn1)c2ccccc2F WXVL_QS1135BT1901 [1,0,1,0,0,0|1,0,0]=3 48 B16R2.2415 O=Cc1cc(ccn1)c2ccccc2O WXVL_QS1135BT1646 [1,0,1,0,0,0|1,0,0]=3 49 B16R2.2415 O=Cc1cc(ccn1)c2cccnc2F WXVL_QS1135BT0740 [1,0,1,0,0,0|2,0,0]=4 50 B16R2.2415 O=Cc1cc(ccn1)c2cccnc2O WXVL_QS1135BT1653 [1,0,1,0,0,0|2,0,0]=4 51 B16R2.2415 O=Cc1cc(ccn1)c2ccncc2F WXVL_QS1135BT0661 [1,0,1,0,0,0|2,0,0]=4 52 B16R2.2415 O=Cc1cccc(c1)c2ccccc2F WXVL_QS0055BT1435 [1,0,1,0,0,0|2,0,0]=4 53 B16R2.2415 O=Cc1cccc(c1)c2ccccc2F WXVL_QS0055BT1901 [1,0,1,0,0,0|2,0,0]=4 54 B16R2.2415 O=Cc1cccc(c1)c2ccccc2O WXVL_QS0055BT1646 [1,0,1,0,0,0|2,0,0]=4 55 B16R2.24 Cc1c(cccc1c2ccccc2)C=O WXVL_QS2266BT0919 [1,0,1,0,0,0|2,0,0]=4 56 B16R2.24 Cc1c(cccc1c2ccccc2)C=O WXVL_QS2266BT1115 [1,0,1,0,0,0|2,0,0]=4 57 B16R2.24 Cc1c(cccc1c2ccccc2)C=O WXVL_QS2266BT2957 [1,0,1,0,0,0|2,0,0]=4 58 B16R2.24 O=Cc1cccc(c1Br)c2ccccc2 WXVL_QS1866BT0919 [1,0,1,0,0,0|2,0,0]=4 59 B16R2.24 O=Cc1cccc(c1Br)c2ccccc2 WXVL_QS1866BT1115 [1,0,1,0,0,0|2,0,0]=4 60 B16R2.24 O=Cc1cccc(c1Br)c2ccccc2 WXVL_QS1866BT2957 [1,0,1,0,0,0|2,0,0]=4 61 B16R2.24 O=Cc1cccc(c1Cl)c2ccccc2 WXVL_QS2215BT0919 [1,0,1,0,0,0|2,0,0]=4 62 B16R2.24 O=Cc1cccc(c1Cl)c2ccccc2 WXVL_QS2215BT1115 [1,0,1,0,0,0|2,0,0]=4 63 B16R2.24 O=Cc1cccc(c1Cl)c2ccccc2 WXVL_QS2215BT2957 [1,0,1,0,0,0|2,0,0]=4 64 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 WXVL_QS0835BT0919 [1,0,1,0,0,0|2,0,0]=4 65 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 WXVL_QS0835BT1115 [1,0,1,0,0,0|2,0,0]=4 66 B16R2.24 O=Cc1cccc(c1F)c2ccccc2 WXVL_QS0835BT2957 [1,0,1,0,0,0|2,0,0]=4 67 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 WXVL_QS0433BT0919 [1,0,1,0,0,0|2,0,0]=4 68 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 WXVL_QS0433BT1115 [1,0,1,0,0,0|2,0,0]=4 69 B16R2.24 O=Cc1cccc(c1O)c2ccccc2 WXVL_QS0433BT2957 [1,0,1,0,0,0|2,0,0]=4 70 B18R2.9446 CNC(=O)c1cccc(c1)c2ccccc2C WXVL_AK00442SD1035 [0,1,1,0,0,0|2,0,0]=4 71 B18R2.9446 CNC(=O)c1cccc(c1)c2ccccc2C WXVL_AK00442SD1035 [0,1,1,0,0,0|2,0,0]=4 72 B18R2.9446 CNC(=O)c1cccc(c1)c2ccccc2Cl WXVL_AK00442SD1767 [0,1,1,0,0,0|2,0,0]=4 73 B18R2.9446 CNC(=O)c1cccc(c1)c2ccccc2Cl WXVL_AK00442SD1767 [0,1,1,0,0,0|2,0,0]=4 74 B18R2.12470 CC(=O)c1cccc(c1)c2ccccc2C=O WXVL_QS0019BT1197 [0,1,1,0,0,0|2,0,0]=4 75 B18R2.9309 CNC(=O)c1ccccc1Cc2ccccc2 WXVL_AK00442SD0039 [0,1,1,0,0,0|2,0,0]=4 76 B18R2.9309 CNC(=O)c1ccccc1Cc2ccccc2 WXVL_AK00442SD0039 [0,1,1,0,0,0|2,0,0]=4 77 B18R2.9309 CNC(=O)c1ccccc1Oc2ccccc2 WXVL_AK00442SD0015 [0,1,1,0,0,0|2,0,0]=4 78 B18R2.9309 CNC(=O)c1ccccc1Oc2ccccc2 WXVL_AK00442SD0015 [0,1,1,0,0,0|2,0,0]=4 79 B18R2.9309 COC(=O)c1ncccc1Nc2ccncn2 WXVL_AF0343LP3358 [0,1,1,0,0,0|2,0,0]=4 80 B18R2.9309 COC(=O)c1ncccc1Nc2ccncn2 WXVL_AF0343LP3358 [0,1,1,0,0,0|2,0,0]=4 81 B18R2.9309 COC(=O)c1ncccc1Nc2ncccn2 WXVL_AF0343LP0002 [0,1,1,0,0,0|2,0,0]=4 82 B18R2.9309 COC(=O)c1ncccc1Nc2ncccn2 WXVL_AF0343LP0002 [0,1,1,0,0,0|2,0,0]=4 83 B18R2.291 CNC(=O)c1cccc(c1O)c2ccccc2 WXVL_AK00442SD0258 [0,1,1,0,0,0|2,0,0]=4 84 B18R2.291 CNC(=O)c1cccc(c1O)c2ccccc2 WXVL_AK00442SD0258 [0,1,1,0,0,0|2,0,0]=4 85 B20R3.411520 CCC(=O)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB0064 [0,1,0,0,0,1|2,0,0]=4 86 B20R3.411520 CCC(=O)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB0064 [0,1,0,0,0,1|2,0,0]=4 87 B20R3.411520 O=C(CO)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB2706 [0,1,0,0,0,1|2,0,0]=4 88 B20R3.411520 O=C(CO)Nc1cccc2c1oc3c2cccc3 WXVL_AG2738SB2706 [0,1,0,0,0,1|2,0,0]=4 89 B20R3.5938251 CNC(=O)c1cccc2c1nc3c(c2)cccc3 WXVL_AK00442SD00137 [0,1,0,0,0,1|1,0,1]=4 90 B20R3.5938251 CNC(=O)c1cccc2c1nc3c(c2)cccc3 WXVL_AK00442SD00137 [0,1,0,0,0,1|1,0,1]=4 91 B20R3.353551 CCNC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK00476SE1474 [0,2,0,0,0,0|2,0,0]=4 92 B20R3.353551 CCNC(=O)c1cccc2c1oc3c2cccc3 WXVL_AK00476SE1474 [0,2,0,0,0,0|2,0,0]=4 93 B20R3.353551 CCNC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK00476SE1321 [0,2,0,0,0,0|2,0,0]=4 94 B20R3.353551 CCNC(=O)c1cccc2c1sc3c2cccc3 WXVL_AK00476SE1321 [0,2,0,0,0,0|2,0,0]=4 95 B18R3.50 Cc1cncc(c1)c2c[nH]c3c2cccn3 WXVL_LR0626BT1800 [0,0,1,1,0,0|2,0,0]=4 96 B18R3.50 Cc1cncc(c1)c2c[nH]c3c2cncc3 WXVL_LR0785BT1800 [0,0,1,1,0,0|2,0,0]=4 97 B18R3.50 Cc1cncc(c1)c2c[nH]c3c2nccc3 WXVL_LR0638BT1800 [0,0,1,1,0,0|2,0,0]=4 98 B18R3.50 Cc1cncc(c1)c2csc3c2cccc3 WXVL_LR0526BT1800 [0,0,1,1,0,0|2,0,0]=4 99 B18R3.115616 NC(=O)c1ccc2[nH]c3ccccc3c2c1 WXVL_AK0084SE0819 [0,0,1,1,0,0|2,0,0]=4 100 B18R3.115616 NC(=O)c1ccc2[nH]c3ccccc3c2c1 WXVL_AK0084SE0819 [0,0,1,1,0,0|2,0,0]=4 101 B18R3.31448 Cc1nc(c(s1)C)c2cc3ccccc3[nH]2 WXVL_LR1309BT2192 [0,0,1,1,0,0|0,1,1]=4 102 B16R2.87 NC(=O)c1ccccc1c2ccccc2 WXVL_AK0084SD0033 [0,0,1,0,1,0|2,0,0]=4 103 B16R2.87 NC(=O)c1ccccc1c2ccccc2 WXVL_AK0084SD0033 [0,0,1,0,1,0|2,0,0]=4 104 B16R2.87 NC(=O)c1ncccc1c2ccccc2 WXVL_AK0084SC0289 [0,0,1,0,1,0|1,0,0]=3 105 B16R2.87 NC(=O)c1ncccc1c2ccccc2 WXVL_AK0084SC0289 [0,0,1,0,1,0|1,0,0]=3 106 B18R2.7181 CC(=O)Nc1ccccc1Cc2ccccc2 WXVL_AG1734SB0150 [0,0,1,0,0,1|2,0,0]=4 107 B18R2.7181 CC(=O)Nc1ccccc1Cc2ccccc2 WXVL_AG1734SB0150 [0,0,1,0,0,1|2,0,0]=4 108 B18R2.7181 CC(=O)Nc1ccccc1Oc2ccccc2 WXVL_AG0655SB0150 [0,0,1,0,0,1|2,0,0]=4 109 B18R2.7181 CC(=O)Nc1ccccc1Oc2ccccc2 WXVL_AG0655SB0150 [0,0,1,0,0,1|2,0,0]=4 110 B18R2.7181 CC(=O)Nc1ccccc1Sc2ccccc2 WXVL_AG1440SB0150 [0,0,1,0,0,1|2,0,0]=4 111 B18R2.7181 CC(=O)Nc1ccccc1Sc2ccccc2 WXVL_AG1440SB0150 [0,0,1,0,0,1|2,0,0]=4 112 B18R2.7181 CC(=O)Nc1ncccc1Oc2ccccc2 WXVL_AF0228SB0150 [0,0,1,0,0,1|1,0,0]=3 113 B18R2.7181 CC(=O)Nc1ncccc1Oc2ccccc2 WXVL_AF0228SB0150 [0,0,1,0,0,1|1,0,0]=3 114 B20R3.5070115 CC(=O)Nc1cccc2c1nc3c(n2)cccc3 WXVL_AG2020SB0150 [0,0,0,0,0,2|1,0,1]=4 115 B20R3.5070115 CC(=O)Nc1cccc2c1nc3c(n2)cccc3 WXVL_AG2020SB0150 [0,0,0,0,0,2|1,0,1]=4 116 B15R2.17 O=Cc1cc(ccn1)c2ccccc2 WXVL_QS1135BT0919 [2,0,1,0,0,0|0,0,0]=3 117 B15R2.17 O=Cc1cc(ccn1)c2ccccc2 WXVL_QS1135BT1115 [2,0,1,0,0,0|0,0,0]=3 118 B15R2.17 O=Cc1cc(ccn1)c2ccccc2 WXVL_QS1135BT2957 [2,0,1,0,0,0|0,0,0]=3 119 B15R2.17 O=Cc1cc(ccn1)c2ccccn2 WXVL_QS1135BT0164 [2,0,1,0,0,0|1,0,0]=4 120 B15R2.17 O=Cc1cc(ccn1)c2cccnc2 WXVL_QS1135BT1208 [2,0,1,0,0,0|1,0,0]=4 121 B15R2.17 O=Cc1cc(ccn1)c2cccnc2 WXVL_QS1135BT3912 [2,0,1,0,0,0|1,0,0]=4 122 B15R2.17 O=Cc1cc(ccn1)c2ccncc2 WXVL_QS1135BT0574 [2,0,1,0,0,0|1,0,0]=4 123 B15R2.17 O=Cc1cccc(c1)c2ccccc2 WXVL_QS0055BT0919 [2,0,1,0,0,0|1,0,0]=4 124 B15R2.17 O=Cc1cccc(c1)c2ccccc2 WXVL_QS0055BT1115 [2,0,1,0,0,0|1,0,0]=4 125 B15R2.17 O=Cc1cccc(c1)c2ccccc2 WXVL_QS0055BT2957 [2,0,1,0,0,0|1,0,0]=4 126 B17R2.227 CNC(=O)c1cccc(c1)c2ccccc2 WXVL_AK00442SD0423 [1,1,1,0,0,0|1,0,0]=4 127 B17R2.227 CNC(=O)c1cccc(c1)c2ccccc2 WXVL_AK00442SD0423 [1,1,1,0,0,0|1,0,0]=4 128 B17R2.2657 Cc1cc(ccc1c2ccnc(c2)C=O)F WXVL_QS1135BT4037 [1,1,1,0,0,0|1,0,0]=4 129 B17R2.2657 Cc1cc(ccc1c2ccnc(c2)C=O)O WXVL_QS1135BT1746 [1,1,1,0,0,0|1,0,0]=4 130 B17R2.2657 Cc1ccc(c(c1)F)c2ccnc(c2)C=O WXVL_QS1135BT0725 [1,1,1,0,0,0|1,0,0]=4 131 B17R2.2657 Cc1ccc(c(c1)F)c2ccnc(c2)C=O WXVL_QS1135BT2613 [1,1,1,0,0,0|1,0,0]=4 132 B17R2.2657 Cc1ccc(c(c1)O)c2ccnc(c2)C=O WXVL_QS1135BT1647 [1,1,1,0,0,0|1,0,0]=4 133 B17R2.2657 Cc1ccc(c(c1)O)c2ccnc(c2)C=O WXVL_QS1135BT2651 [1,1,1,0,0,0|1,0,0]=4 134 B17R2.2657 O=Cc1cc(ccn1)c2ccc(cc2F)F WXVL_QS1135BT1284 [1,1,1,0,0,0|1,0,0]=4 135 B17R2.2657 O=Cc1cc(ccn1)c2ccc(cc2F)F WXVL_QS1135BT5174 [1,1,1,0,0,0|1,0,0]=4 136 B17R2.2657 O=Cc1cc(ccn1)c2ccc(cc2F)O WXVL_QS1135BT1147 [1,1,1,0,0,0|1,0,0]=4 137 B17R2.2657 O=Cc1cc(ccn1)c2ccc(cc2F)O WXVL_QS1135BT2276 [1,1,1,0,0,0|1,0,0]=4 138 B17R2.2657 O=Cc1cc(ccn1)c2ccc(cc2O)F WXVL_QS1135BT1759 [1,1,1,0,0,0|1,0,0]=4 139 B17R2.2657 O=Cc1cc(ccn1)c2ccc(cc2O)F WXVL_QS1135BT3314 [1,1,1,0,0,0|1,0,0]=4 140 B17R2.2660 Cc1ccc(c(c1)c2ccnc(c2)C=O)C WXVL_QS1135BT0645 [1,1,1,0,0,0|1,0,0]=4 141 B17R2.2660 Cc1ccc(c(c1)c2ccnc(c2)C=O)O WXVL_QS1135BT2739 [1,1,1,0,0,0|1,0,0]=4 142 B17R2.2660 Cc1ccc(c(c1)c2ccnc(c2)C=O)O WXVL_QS1135BT3163 [1,1,1,0,0,0|1,0,0]=4 143 B17R2.2660 Cc1ccc(cc1c2ccnc(c2)C=O)F WXVL_QS1135BT3400 [1,1,1,0,0,0|1,0,0]=4 144 B17R2.2660 Cc1ccc(cc1c2ccnc(c2)C=O)O WXVL_QS1135BT2753 [1,1,1,0,0,0|1,0,0]=4 145 B17R2.2660 Cc1ccc(cc1c2ccnc(c2)C=O)O WXVL_QS1135BT2944 [1,1,1,0,0,0|1,0,0]=4 146 B17R2.2660 O=Cc1cc(ccn1)c2cc(ccc2F)F WXVL_QS1135BT3078 [1,1,1,0,0,0|1,0,0]=4 147 B17R2.2660 O=Cc1cc(ccn1)c2cc(ccc2F)O WXVL_QS1135BT1993 [1,1,1,0,0,0|1,0,0]=4 148 B17R2.2660 O=Cc1cc(ccn1)c2cc(ccc2F)O WXVL_QS1135BT6092 [1,1,1,0,0,0|1,0,0]=4 149 B17R2.2660 O=Cc1cc(ccn1)c2cc(ccc2O)F WXVL_QS1135BT6087 [1,1,1,0,0,0|1,0,0]=4 150 B17R2.2664 C#Cc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT5028 [1,1,1,0,0,0|1,0,0]=4 151 B17R2.2664 C=Cc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT1736 [1,1,1,0,0,0|1,0,0]=4 152 B17R2.2664 CCc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT3340 [1,1,1,0,0,0|1,0,0]=4 153 B17R2.2664 COc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT1572 [1,1,1,0,0,0|1,0,0]=4 154 B17R2.2664 COc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT4141 [1,1,1,0,0,0|1,0,0]=4 155 B17R2.2664 CSc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT2120 [1,1,1,0,0,0|1,0,0]=4 156 B17R2.2664 N#Cc1ccccc1c2ccnc(c2)C=O WXVL_QS1135BT1975 [1,1,1,0,0,0|0,0,1]=4 157 B17R2.2676 Cc1c(cccc1c2ccnc(c2)C=O)F WXVL_QS1135BT3723 [1,1,1,0,0,0|1,0,0]=4 158 B17R2.2676 Cc1c(cccc1c2ccnc(c2)C=O)O WXVL_QS1135BT0116 [1,1,1,0,0,0|1,0,0]=4 159 B17R2.2676 Cc1c(cccc1c2ccnc(c2)C=O)O WXVL_QS1135BT3221 [1,1,1,0,0,0|1,0,0]=4 160 B17R2.2676 Cc1cccc(c1C)c2ccnc(c2)C=O WXVL_QS1135BT6366 [1,1,1,0,0,0|1,0,0]=4 161 B17R2.2676 Cc1cccc(c1F)c2ccnc(c2)C=O WXVL_QS1135BT1768 [1,1,1,0,0,0|1,0,0]=4 162 B17R2.2676 Cc1cccc(c1F)c2ccnc(c2)C=O WXVL_QS1135BT2611 [1,1,1,0,0,0|1,0,0]=4 163 B17R2.2676 Cc1cccc(c1O)c2ccnc(c2)C=O WXVL_QS1135BT1822 [1,1,1,0,0,0|1,0,0]=4 164 B17R2.2676 Cc1cccc(c1O)c2ccnc(c2)C=O WXVL_QS1135BT3223 [1,1,1,0,0,0|1,0,0]=4 165 B17R2.2676 O=Cc1cc(ccn1)c2cccc(c2F)F WXVL_QS1135BT5544 [1,1,1,0,0,0|1,0,0]=4 166 B17R2.2676 O=Cc1cc(ccn1)c2cccc(c2F)I WXVL_QS1135BT0627 [1,1,1,0,0,0|1,0,0]=4 167 B17R2.2676 O=Cc1cc(ccn1)c2cccc(c2F)O WXVL_QS1135BT2352 [1,1,1,0,0,0|1,0,0]=4 168 B17R2.2676 O=Cc1cc(ccn1)c2cccc(c2F)O WXVL_QS1135BT3232 [1,1,1,0,0,0|1,0,0]=4 169 B17R2.2676 O=Cc1cc(ccn1)c2cccc(c2O)F WXVL_QS1135BT0131 [1,1,1,0,0,0|1,0,0]=4 170 B17R2.2676 O=Cc1cc(ccn1)c2cccc(c2O)F WXVL_QS1135BT1823 [1,1,1,0,0,0|1,0,0]=4 171 B17R2.2806 Cc1ccccc1c2cc(ncc2C)C=O WXVL_QS1446BT1515 [1,1,1,0,0,0|1,0,0]=4 172 B17R2.2806 Cc1ccccc1c2cc(ncc2C)C=O WXVL_QS1446BT4142 [1,1,1,0,0,0|1,0,0]=4 173 B17R2.2806 Cc1ccccc1c2cc(ncc2C)C=O WXVL_QS1446BT9252 [1,1,1,0,0,0|1,0,0]=4 174 B17R2.2806 Cc1cnc(cc1c2ccccc2F)C=O WXVL_QS1446BT1435 [1,1,1,0,0,0|1,0,0]=4 175 B17R2.2806 Cc1cnc(cc1c2ccccc2F)C=O WXVL_QS1446BT1901 [1,1,1,0,0,0|1,0,0]=4 176 B17R2.2806 Cc1cnc(cc1c2ccccc2O)C=O WXVL_QS1446BT1646 [1,1,1,0,0,0|1,0,0]=4 177 B17R2.11623 Cc1cccc(c1c2ccnc(c2)C=O)F WXVL_QS1135BT5725 [1,1,1,0,0,0|1,0,0]=4 178 B17R2.11623 O=Cc1cc(ccn1)c2c(cccc2F)F WXVL_QS1135BT1122 [1,1,1,0,0,0|1,0,0]=4 179 B17R2.11623 O=Cc1cc(ccn1)c2c(cccc2F)O WXVL_QS1135BT3604 [1,1,1,0,0,0|1,0,0]=4 180 B17R2.11623 O=Cc1cc(ccn1)c2c(cccc2F)O WXVL_QS1135BT3763 [1,1,1,0,0,0|1,0,0]=4 181 B17R2.11623 O=Cc1cc(ccn1)c2c(cccc2O)O WXVL_QS1135BT4896 [1,1,1,0,0,0|1,0,0]=4 182 B17R2.231 CNC(=O)c1ccccc1c2ccccc2 WXVL_AK00442SD0033 [0,1,1,0,1,0|1,0,0]=4 183 B17R2.231 CNC(=O)c1ccccc1c2ccccc2 WXVL_AK00442SD0033 [0,1,1,0,1,0|1,0,0]=4 184 B17R2.231 CNC(=O)c1ncccc1c2ccccc2 WXVL_AK00442SC0289 [0,1,1,0,1,0|0,0,0]=3 185 B17R2.231 CNC(=O)c1ncccc1c2ccccc2 WXVL_AK00442SC0289 [0,1,1,0,1,0|0,0,0]=3 186 B19R2.8825 NC(=O)c1ncccc1C(=O)Nc2ccccc2 WXVL_AG00183SC1061 [0,1,1,0,0,1|1,0,0]=4 187 B19R2.8825 NC(=O)c1ncccc1C(=O)Nc2ccccc2 WXVL_AG00183SC1061 [0,1,1,0,0,1|1,0,0]=4 188 B19R2.8831 CC(=O)c1ccccc1NC(=O)c2ccccc2 WXVL_AG1053SD0001 [0,1,1,0,0,1|1,0,0]=4 189 B19R2.8831 CC(=O)c1ccccc1NC(=O)c2ccccc2 WXVL_AG1053SD0001 [0,1,1,0,0,1|1,0,0]=4 190 B19R2.8831 NC(=O)c1ncccc1NC(=O)c2ccccc2 WXVL_AF1129SD0001 [0,1,1,0,0,1|1,0,0]=4 191 B19R2.8831 NC(=O)c1ncccc1NC(=O)c2ccccc2 WXVL_AF1129SD0001 [0,1,1,0,0,1|1,0,0]=4 192 B19R2.4202 CC(=O)Nc1ccccc1Nc2ccc(cc2)Cl WXVL_AG1860SB0150 [0,1,1,0,0,1|1,0,0]=4 193 B19R2.4202 CC(=O)Nc1ccccc1Nc2ccc(cc2)Cl WXVL_AG1860SB0150 [0,1,1,0,0,1|1,0,0]=4 194 B19R2.12914 CCC(=O)Nc1ncccc1Oc2ccccc2 WXVL_AF0228SB0064 [0,1,1,0,0,1|1,0,0]=4 195 B19R2.12914 CCC(=O)Nc1ncccc1Oc2ccccc2 WXVL_AF0228SB0064 [0,1,1,0,0,1|1,0,0]=4 196 B19R2.12914 O=C(CO)Nc1ncccc1Oc2ccccc2 WXVL_AF0228SB2706 [0,1,1,0,0,1|1,0,0]=4 197 B19R2.12914 O=C(CO)Nc1ncccc1Oc2ccccc2 WXVL_AF0228SB2706 [0,1,1,0,0,1|1,0,0]=4 198 B19R2.17123 CNC(=O)c1cc(ccn1)c2ccccc2C=O WXVL_QS0019BT0756 [0,2,1,0,0,0|1,0,0]=4 199 B17R3.65 Cc1cscc1c2c[nH]c3c2cccc3 WXVL_LR0489BT4853 [1,0,1,1,0,0|1,0,0]=4 200 B17R3.65 Cc1oncc1c2c[nH]c3c2cccc3 WXVL_LR0715BT4853 [1,0,1,1,0,0|1,0,0]=4 201 B17R3.26 Cc1ccc(s1)c2c[nH]c3c2cccc3 WXVL_LR0501BT4853 [0,0,1,1,1,0|0,1,0]=4 202 B17R3.26 Cc1cnc([nH]1)c2c[nH]c3c2cccc3 WXVL_LR1156BT4853 [0,0,1,1,1,0|1,0,0]=4 203 B17R3.26 Cc1ncc(s1)c2c[nH]c3c2cccc3 WXVL_LR0558BT4853 [0,0,1,1,1,0|0,1,0]=4 204 B19R3.202037 CC(=O)Nc1cc2c(cn1)[nH]c3c2cccc3 WXVL_AF2691SB0150 [0,0,1,1,0,1|0,0,0]=3 205 B19R3.202037 CC(=O)Nc1cc2c(cn1)[nH]c3c2cccc3 WXVL_AF2691SB0150 [0,0,1,1,0,1|0,0,0]=3 206 B19R3.202037 CC(=O)Nc1ccc2[nH]c3ccccc3c2c1 WXVL_AG3898SB0150 [0,0,1,1,0,1|1,0,0]=4 207 B19R3.202037 CC(=O)Nc1ccc2[nH]c3ccccc3c2c1 WXVL_AG3898SB0150 [0,0,1,1,0,1|1,0,0]=4 208 B19R3.37 O=Cc1cncc(c1)c2c[nH]c3c2cccc3 WXVL_QS0228BT4853 [0,1,1,1,0,0|0,0,1]=4 209 B19R3.243403 CNC(=O)c1ccc2[nH]c3ccccc3c2c1 WXVL_AK00442SE0819 [0,1,1,1,0,0|1,0,0]=4 210 B19R3.243403 CNC(=O)c1ccc2[nH]c3ccccc3c2c1 WXVL_AK00442SE0819 [0,1,1,1,0,0|1,0,0]=4 211 B19R3.28220 O=Cc1cccnc1c2cc3ccccc3[nH]2 WXVL_QS0466BT2192 [0,1,1,1,0,0|0,0,1]=4 212 B15R2.21 O=Cc1ccccc1c2ccccc2 WXVL_QS0019BT0919 [1,0,1,0,1,0|1,0,0]=4 213 B15R2.21 O=Cc1ccccc1c2ccccc2 WXVL_QS0019BT1115 [1,0,1,0,1,0|1,0,0]=4 214 B15R2.21 O=Cc1ccccc1c2ccccc2 WXVL_QS0019BT2957 [1,0,1,0,1,0|1,0,0]=4 215 B15R2.21 O=Cc1ncccc1c2ccccc2 WXVL_QS1727BT0919 [1,0,1,0,1,0|0,0,0]=3 216 B15R2.21 O=Cc1ncccc1c2ccccc2 WXVL_QS1727BT1115 [1,0,1,0,1,0|0,0,0]=3 217 B15R2.21 O=Cc1ncccc1c2ccccc2 WXVL_QS1727BT2957 [1,0,1,0,1,0|0,0,0]=3 218 B15R2.21 O=Cc1ncccc1c2ccccn2 WXVL_QS1727BT0164 [1,0,1,0,1,0|1,0,0]=4 219 B15R2.21 O=Cc1ncccc1c2cccnc2 WXVL_QS1727BT1208 [1,0,1,0,1,0|1,0,0]=4 220 B15R2.21 O=Cc1ncccc1c2cccnc2 WXVL_QS1727BT3912 [1,0,1,0,1,0|1,0,0]=4 221 B15R2.21 O=Cc1ncccc1c2ccncc2 WXVL_QS1727BT0574 [1,0,1,0,1,0|1,0,0]=4 222 B15R2.6 NC(=O)/C=C/c1c[nH]c2c1cccc2 WXVL_AK0084SA0059 [0,0,1,0,2,0|1,0,0]=4 223 B15R2.6 NC(=O)/C=C/c1c[nH]c2c1cccc2 WXVL_AK0084SA0059 [0,0,1,0,2,0|1,0,0]=4 224 B17R2.247 CC(=O)Nc1cccc(c1)c2ccccc2 WXVL_AG0531SB0150 [1,0,1,0,0,1|1,0,0]=4 225 B17R2.247 CC(=O)Nc1cccc(c1)c2ccccc2 WXVL_AG0531SB0150 [1,0,1,0,0,1|1,0,0]=4 226 B19R2.13525 CC(=O)Nc1ncccc1OCc2ccccc2 WXVL_AF0012SB0150 [0,0,1,0,0,2|1,0,0]=4 227 B19R2.13525 CC(=O)Nc1ncccc1OCc2ccccc2 WXVL_AF0012SB0150 [0,0,1,0,0,2|1,0,0]=4