0 B16R2.2441 BrCCOCc1cc2ccccc2cn1 34a_100000211926_100009869231 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.2441 BrCCOCc1ccc2ccccc2c1 34a_100000211926_100011216711 [0,0,0,0,0,0|3,0,0]=3 2 B16R2.2441 BrCCOCc1ccc2ccccc2n1 34a_100000211926_100000737579 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.2441 BrCCOCc1ccc2cnccc2c1 34a_100000211926_100020605334 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.2441 BrCCOCc1ccc2ncccc2c1 34a_100000211926_100000703657 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.2441 C#CCCNc1ccc2ccccc2c1 34a_100000211940_100000688953 [0,0,0,0,0,0|1,0,2]=3 6 B16R2.2441 C#CCCNc1ccc2ccccc2c1 7a_100000211940_100000688953 [0,0,0,0,0,0|1,0,2]=3 7 B16R2.2441 C#CCCNc1ccc2ccccc2n1 27a_100000755551_100011291633 [0,0,0,0,0,0|2,0,2]=4 8 B16R2.2441 C#CCCNc1ccc2cccnc2c1 34a_100102887122_100000688953 [0,0,0,0,0,0|2,0,2]=4 9 B16R2.2441 C#CCCNc1ccc2cnccc2c1 34a_100000039641_100000688953 [0,0,0,0,0,0|2,0,2]=4 10 B16R2.2441 C#CCCNc1ccc2ncccc2c1 34a_100011198106_100000688953 [0,0,0,0,0,0|2,0,2]=4 11 B16R2.2441 C#CCCOc1ccc2ccccc2c1 34a_100000185828_100000688953 [0,0,0,0,0,0|0,0,2]=2 12 B16R2.2441 C#CCCOc1ccc2ccccc2c1 7a_100000185828_100000688953 [0,0,0,0,0,0|0,0,2]=2 13 B16R2.2441 C#CCCOc1ccc2cccnc2c1 34a_100011216045_100000688953 [0,0,0,0,0,0|1,0,2]=3 14 B16R2.2441 C#CCCOc1ccc2ccncc2c1 7a_100000752006_100000688953 [0,0,0,0,0,0|1,0,2]=3 15 B16R2.2441 C#CCCOc1ccc2cnccc2c1 34a_100000046372_100000688953 [0,0,0,0,0,0|1,0,2]=3 16 B16R2.2441 C#CCCOc1ccc2cnccc2c1 7a_100000046372_100000688953 [0,0,0,0,0,0|1,0,2]=3 17 B16R2.2441 C#CCCOc1ccc2ncccc2c1 34a_100011215586_100000688953 [0,0,0,0,0,0|1,0,2]=3 18 B16R2.2441 C#CCCOc1ccc2ncccc2c1 7a_100011215586_100000688953 [0,0,0,0,0,0|1,0,2]=3 19 B16R2.2441 C#CCCOc1ccc2nccnc2c1 34a_100000694412_100000688953 [0,0,0,0,0,0|2,0,2]=4 20 B16R2.2441 C#CCCOc1cnc2ccccc2c1 34a_100011934006_100000688953 [0,0,0,0,0,0|1,0,2]=3 21 B16R2.2441 C#CCCOc1cnc2ccccc2c1 7a_100011934006_100000688953 [0,0,0,0,0,0|1,0,2]=3 22 B16R2.2441 C#CCCSc1cc2ccccc2cn1 62a_100000688953_100000047361 [0,0,0,0,0,0|1,1,2]=4 23 B16R2.2441 C#CCCSc1cc2ccccc2cn1 62a_100009816522_100000688953 [0,0,0,0,0,0|1,1,2]=4 24 B16R2.2441 C#CCCSc1ccc2ccccc2c1 62a_100000688953_100000233703 [0,0,0,0,0,0|0,1,2]=3 25 B16R2.2441 C#CCCSc1ccc2ccccc2n1 62a_100000688953_100011291633 [0,0,0,0,0,0|1,1,2]=4 26 B16R2.2441 C#CCCSc1ccc2ccccc2n1 62a_100011291633_100000688953 [0,0,0,0,0,0|1,1,2]=4 27 B16R2.2441 C#CCCSc1ccc2cccnc2c1 62a_100000688953_100009816655 [0,0,0,0,0,0|1,1,2]=4 28 B16R2.2441 C#CCCSc1ccc2ccncc2c1 62a_100000686496_100000688953 [0,0,0,0,0,0|1,1,2]=4 29 B16R2.2441 C#CCCSc1ccc2ccncc2c1 62a_100000688953_100000686496 [0,0,0,0,0,0|1,1,2]=4 30 B16R2.2441 C#CCCSc1ccc2cnccc2c1 62a_100000688953_100009816743 [0,0,0,0,0,0|1,1,2]=4 31 B16R2.2441 C#CCCSc1ccc2cnccc2c1 62a_100009816743_100000688953 [0,0,0,0,0,0|1,1,2]=4 32 B16R2.2441 C#CCCSc1ccc2ncccc2c1 62a_100000688953_100011215947 [0,0,0,0,0,0|1,1,2]=4 33 B16R2.2441 C#CCCSc1ccc2ncccc2c1 62a_100011215947_100000688953 [0,0,0,0,0,0|1,1,2]=4 34 B16R2.2441 C#CCCSc1cnc2ccccc2c1 62a_100000688953_100000737414 [0,0,0,0,0,0|1,1,2]=4 35 B16R2.2441 C#CCNCc1ccc2ccccc2c1 2230a_100000739491_100000038162 [0,0,0,0,0,0|2,0,2]=4 36 B16R2.2441 C#CCNCc1ccc2ccccc2c1 34a_100000212058_100011216711 [0,0,0,0,0,0|2,0,2]=4 37 B16R2.2441 C#CCNCc1ccc2ccccc2c1 34a_100000739491_100000184674 [0,0,0,0,0,0|2,0,2]=4 38 B16R2.2441 C#CCOCc1ccc2ccccc2c1 34a_100000210247_100011216711 [0,0,0,0,0,0|2,0,2]=4 39 B16R2.2441 C#CCOCc1ccc2ccccc2c1 34a_100011215330_100000184674 [0,0,0,0,0,0|2,0,2]=4 40 B16R2.2441 C#CCOCc1ccc2ccccc2c1 7a_100011215330_100000038162 [0,0,0,0,0,0|2,0,2]=4 41 B16R2.2441 C#CCSCc1ccc2ccccc2c1 62a_100000038162_100011216711 [0,0,0,0,0,0|2,0,2]=4 42 B16R2.2441 C/C=C/CNc1ccc2ccccc2c1 34a_100000211940_100102629194 [0,0,0,0,0,0|1,0,2]=3 43 B16R2.2441 C/C=C/CNc1ccc2ccccc2c1 7a_100000211940_100102629194 [0,0,0,0,0,0|1,0,2]=3 44 B16R2.2441 C/C=C/CNc1ccc2cccnc2c1 34a_100102887122_100102629194 [0,0,0,0,0,0|2,0,2]=4 45 B16R2.2441 C/C=C/CNc1ccc2cnccc2c1 34a_100000039641_100102629194 [0,0,0,0,0,0|2,0,2]=4 46 B16R2.2441 C/C=C/CNc1ccc2ncccc2c1 34a_100011198106_100102629194 [0,0,0,0,0,0|2,0,2]=4 47 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 34a_100000185828_100102629194 [0,0,0,0,0,0|0,0,2]=2 48 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 7a_100000185828_100102629194 [0,0,0,0,0,0|0,0,2]=2 49 B16R2.2441 C/C=C/COc1ccc2cccnc2c1 34a_100011216045_100102629194 [0,0,0,0,0,0|1,0,2]=3 50 B16R2.2441 C/C=C/COc1ccc2ccncc2c1 7a_100000752006_100102629194 [0,0,0,0,0,0|1,0,2]=3 51 B16R2.2441 C/C=C/COc1ccc2cnccc2c1 34a_100000046372_100102629194 [0,0,0,0,0,0|1,0,2]=3 52 B16R2.2441 C/C=C/COc1ccc2cnccc2c1 7a_100000046372_100102629194 [0,0,0,0,0,0|1,0,2]=3 53 B16R2.2441 C/C=C/COc1ccc2ncccc2c1 34a_100011215586_100102629194 [0,0,0,0,0,0|1,0,2]=3 54 B16R2.2441 C/C=C/COc1ccc2ncccc2c1 7a_100011215586_100102629194 [0,0,0,0,0,0|1,0,2]=3 55 B16R2.2441 C/C=C/COc1ccc2nccnc2c1 34a_100000694412_100102629194 [0,0,0,0,0,0|2,0,2]=4 56 B16R2.2441 C/C=C/COc1cnc2ccccc2c1 34a_100011934006_100102629194 [0,0,0,0,0,0|1,0,2]=3 57 B16R2.2441 C/C=C/COc1cnc2ccccc2c1 7a_100011934006_100102629194 [0,0,0,0,0,0|1,0,2]=3 58 B16R2.2441 C/C=C/CSc1cc2ccccc2cn1 62a_100009816522_100102629194 [0,0,0,0,0,0|1,1,2]=4 59 B16R2.2441 C/C=C/CSc1cc2ccccc2cn1 62a_100102629194_100000047361 [0,0,0,0,0,0|1,1,2]=4 60 B16R2.2441 C/C=C/CSc1ccc2ccccc2c1 62a_100102629194_100000233703 [0,0,0,0,0,0|0,1,2]=3 61 B16R2.2441 C/C=C/CSc1ccc2ccccc2n1 62a_100011291633_100102629194 [0,0,0,0,0,0|1,1,2]=4 62 B16R2.2441 C/C=C/CSc1ccc2ccccc2n1 62a_100102629194_100011291633 [0,0,0,0,0,0|1,1,2]=4 63 B16R2.2441 C/C=C/CSc1ccc2cccnc2c1 62a_100102629194_100009816655 [0,0,0,0,0,0|1,1,2]=4 64 B16R2.2441 C/C=C/CSc1ccc2ccncc2c1 62a_100000686496_100102629194 [0,0,0,0,0,0|1,1,2]=4 65 B16R2.2441 C/C=C/CSc1ccc2ccncc2c1 62a_100102629194_100000686496 [0,0,0,0,0,0|1,1,2]=4 66 B16R2.2441 C/C=C/CSc1ccc2cnccc2c1 62a_100009816743_100102629194 [0,0,0,0,0,0|1,1,2]=4 67 B16R2.2441 C/C=C/CSc1ccc2cnccc2c1 62a_100102629194_100009816743 [0,0,0,0,0,0|1,1,2]=4 68 B16R2.2441 C/C=C/CSc1ccc2ncccc2c1 62a_100011215947_100102629194 [0,0,0,0,0,0|1,1,2]=4 69 B16R2.2441 C/C=C/CSc1ccc2ncccc2c1 62a_100102629194_100011215947 [0,0,0,0,0,0|1,1,2]=4 70 B16R2.2441 C/C=C/CSc1cnc2ccccc2c1 62a_100102629194_100000737414 [0,0,0,0,0,0|1,1,2]=4 71 B16R2.2441 C=CCCNc1ccc2ccccc2c1 34a_100000211940_100000754431 [0,0,0,0,0,0|1,0,2]=3 72 B16R2.2441 C=CCCNc1ccc2ccccc2c1 7a_100000211940_100000754431 [0,0,0,0,0,0|1,0,2]=3 73 B16R2.2441 C=CCCNc1ccc2ccccc2n1 27a_100015191253_100011291633 [0,0,0,0,0,0|2,0,2]=4 74 B16R2.2441 C=CCCNc1ccc2cccnc2c1 34a_100102887122_100000754431 [0,0,0,0,0,0|2,0,2]=4 75 B16R2.2441 C=CCCNc1ccc2cnccc2c1 34a_100000039641_100000754431 [0,0,0,0,0,0|2,0,2]=4 76 B16R2.2441 C=CCCNc1ccc2ncccc2c1 34a_100011198106_100000754431 [0,0,0,0,0,0|2,0,2]=4 77 B16R2.2441 C=CCCOc1ccc2ccccc2c1 34a_100000185828_100000754431 [0,0,0,0,0,0|0,0,2]=2 78 B16R2.2441 C=CCCOc1ccc2ccccc2c1 7a_100000185828_100000754431 [0,0,0,0,0,0|0,0,2]=2 79 B16R2.2441 C=CCCOc1ccc2cccnc2c1 34a_100011216045_100000754431 [0,0,0,0,0,0|1,0,2]=3 80 B16R2.2441 C=CCCOc1ccc2ccncc2c1 7a_100000752006_100000754431 [0,0,0,0,0,0|1,0,2]=3 81 B16R2.2441 C=CCCOc1ccc2cnccc2c1 34a_100000046372_100000754431 [0,0,0,0,0,0|1,0,2]=3 82 B16R2.2441 C=CCCOc1ccc2cnccc2c1 7a_100000046372_100000754431 [0,0,0,0,0,0|1,0,2]=3 83 B16R2.2441 C=CCCOc1ccc2ncccc2c1 34a_100011215586_100000754431 [0,0,0,0,0,0|1,0,2]=3 84 B16R2.2441 C=CCCOc1ccc2ncccc2c1 7a_100011215586_100000754431 [0,0,0,0,0,0|1,0,2]=3 85 B16R2.2441 C=CCCOc1ccc2nccnc2c1 34a_100000694412_100000754431 [0,0,0,0,0,0|2,0,2]=4 86 B16R2.2441 C=CCCOc1cnc2ccccc2c1 34a_100011934006_100000754431 [0,0,0,0,0,0|1,0,2]=3 87 B16R2.2441 C=CCCOc1cnc2ccccc2c1 7a_100011934006_100000754431 [0,0,0,0,0,0|1,0,2]=3 88 B16R2.2441 C=CCCSc1cc2ccccc2cn1 62a_100000754431_100000047361 [0,0,0,0,0,0|1,1,2]=4 89 B16R2.2441 C=CCCSc1cc2ccccc2cn1 62a_100009816522_100000754431 [0,0,0,0,0,0|1,1,2]=4 90 B16R2.2441 C=CCCSc1ccc2ccccc2c1 62a_100000754431_100000233703 [0,0,0,0,0,0|0,1,2]=3 91 B16R2.2441 C=CCCSc1ccc2ccccc2n1 62a_100000754431_100011291633 [0,0,0,0,0,0|1,1,2]=4 92 B16R2.2441 C=CCCSc1ccc2ccccc2n1 62a_100011291633_100000754431 [0,0,0,0,0,0|1,1,2]=4 93 B16R2.2441 C=CCCSc1ccc2cccnc2c1 62a_100000754431_100009816655 [0,0,0,0,0,0|1,1,2]=4 94 B16R2.2441 C=CCCSc1ccc2ccncc2c1 62a_100000686496_100000754431 [0,0,0,0,0,0|1,1,2]=4 95 B16R2.2441 C=CCCSc1ccc2ccncc2c1 62a_100000754431_100000686496 [0,0,0,0,0,0|1,1,2]=4 96 B16R2.2441 C=CCCSc1ccc2cnccc2c1 62a_100000754431_100009816743 [0,0,0,0,0,0|1,1,2]=4 97 B16R2.2441 C=CCCSc1ccc2cnccc2c1 62a_100009816743_100000754431 [0,0,0,0,0,0|1,1,2]=4 98 B16R2.2441 C=CCCSc1ccc2ncccc2c1 62a_100000754431_100011215947 [0,0,0,0,0,0|1,1,2]=4 99 B16R2.2441 C=CCCSc1ccc2ncccc2c1 62a_100011215947_100000754431 [0,0,0,0,0,0|1,1,2]=4 100 B16R2.2441 C=CCCSc1cnc2ccccc2c1 62a_100000754431_100000737414 [0,0,0,0,0,0|1,1,2]=4 101 B16R2.2441 C=CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210623 [0,0,0,0,0,0|2,0,2]=4 102 B16R2.2441 C=CCNCc1ccc2ccccc2c1 2230a_100020586998_100011216711 [0,0,0,0,0,0|2,0,2]=4 103 B16R2.2441 C=CCNCc1ccc2ccccc2c1 270004a_100020586998_100000211584 [0,0,0,0,0,0|2,0,2]=4 104 B16R2.2441 C=CCNCc1ccc2ccccc2c1 34a_100000739491_100015514636 [0,0,0,0,0,0|2,0,2]=4 105 B16R2.2441 C=CCOCc1ccc2ccccc2c1 34a_100011215330_100015514636 [0,0,0,0,0,0|2,0,2]=4 106 B16R2.2441 C=CCOCc1ccc2ccccc2c1 34a_200000210373_100011216711 [0,0,0,0,0,0|2,0,2]=4 107 B16R2.2441 C=CCOCc1ccc2ccccc2c1 7a_100011215330_100015514636 [0,0,0,0,0,0|2,0,2]=4 108 B16R2.2441 C=CCSCc1ccc2ccccc2c1 62a_100000210623_100011216711 [0,0,0,0,0,0|2,0,2]=4 109 B16R2.2441 C=CCSCc1ccc2ccccc2c1 62a_100011216711_100000210623 [0,0,0,0,0,0|2,0,2]=4 110 B16R2.2441 CC#CCNc1ccc2ccccc2c1 34a_100000211940_100000748600 [0,0,0,0,0,0|1,0,2]=3 111 B16R2.2441 CC#CCNc1ccc2ccccc2c1 7a_100000211940_100000748600 [0,0,0,0,0,0|1,0,2]=3 112 B16R2.2441 CC#CCNc1ccc2ccccc2n1 27a_100000685387_100011291633 [0,0,0,0,0,0|2,0,2]=4 113 B16R2.2441 CC#CCNc1ccc2cccnc2c1 34a_100102887122_100000748600 [0,0,0,0,0,0|2,0,2]=4 114 B16R2.2441 CC#CCNc1ccc2cnccc2c1 34a_100000039641_100000748600 [0,0,0,0,0,0|2,0,2]=4 115 B16R2.2441 CC#CCNc1ccc2ncccc2c1 34a_100011198106_100000748600 [0,0,0,0,0,0|2,0,2]=4 116 B16R2.2441 CC#CCOc1ccc2ccccc2c1 34a_100000185828_100000748600 [0,0,0,0,0,0|0,0,2]=2 117 B16R2.2441 CC#CCOc1ccc2ccccc2c1 7a_100000185828_100000748600 [0,0,0,0,0,0|0,0,2]=2 118 B16R2.2441 CC#CCOc1ccc2cccnc2c1 34a_100011216045_100000748600 [0,0,0,0,0,0|1,0,2]=3 119 B16R2.2441 CC#CCOc1ccc2ccncc2c1 7a_100000752006_100000748600 [0,0,0,0,0,0|1,0,2]=3 120 B16R2.2441 CC#CCOc1ccc2cnccc2c1 34a_100000046372_100000748600 [0,0,0,0,0,0|1,0,2]=3 121 B16R2.2441 CC#CCOc1ccc2cnccc2c1 7a_100000046372_100000748600 [0,0,0,0,0,0|1,0,2]=3 122 B16R2.2441 CC#CCOc1ccc2ncccc2c1 34a_100011215586_100000748600 [0,0,0,0,0,0|1,0,2]=3 123 B16R2.2441 CC#CCOc1ccc2ncccc2c1 7a_100011215586_100000748600 [0,0,0,0,0,0|1,0,2]=3 124 B16R2.2441 CC#CCOc1ccc2nccnc2c1 34a_100000694412_100000748600 [0,0,0,0,0,0|2,0,2]=4 125 B16R2.2441 CC#CCOc1cnc2ccccc2c1 34a_100011934006_100000748600 [0,0,0,0,0,0|1,0,2]=3 126 B16R2.2441 CC#CCOc1cnc2ccccc2c1 7a_100011934006_100000748600 [0,0,0,0,0,0|1,0,2]=3 127 B16R2.2441 CC#CCSc1cc2ccccc2cn1 62a_100000748600_100000047361 [0,0,0,0,0,0|1,1,2]=4 128 B16R2.2441 CC#CCSc1cc2ccccc2cn1 62a_100009816522_100000748600 [0,0,0,0,0,0|1,1,2]=4 129 B16R2.2441 CC#CCSc1ccc2ccccc2c1 62a_100000748600_100000233703 [0,0,0,0,0,0|0,1,2]=3 130 B16R2.2441 CC#CCSc1ccc2ccccc2n1 62a_100000748600_100011291633 [0,0,0,0,0,0|1,1,2]=4 131 B16R2.2441 CC#CCSc1ccc2ccccc2n1 62a_100011291633_100000748600 [0,0,0,0,0,0|1,1,2]=4 132 B16R2.2441 CC#CCSc1ccc2cccnc2c1 62a_100000748600_100009816655 [0,0,0,0,0,0|1,1,2]=4 133 B16R2.2441 CC#CCSc1ccc2ccncc2c1 62a_100000686496_100000748600 [0,0,0,0,0,0|1,1,2]=4 134 B16R2.2441 CC#CCSc1ccc2ccncc2c1 62a_100000748600_100000686496 [0,0,0,0,0,0|1,1,2]=4 135 B16R2.2441 CC#CCSc1ccc2cnccc2c1 62a_100000748600_100009816743 [0,0,0,0,0,0|1,1,2]=4 136 B16R2.2441 CC#CCSc1ccc2cnccc2c1 62a_100009816743_100000748600 [0,0,0,0,0,0|1,1,2]=4 137 B16R2.2441 CC#CCSc1ccc2ncccc2c1 62a_100000748600_100011215947 [0,0,0,0,0,0|1,1,2]=4 138 B16R2.2441 CC#CCSc1ccc2ncccc2c1 62a_100011215947_100000748600 [0,0,0,0,0,0|1,1,2]=4 139 B16R2.2441 CC#CCSc1cnc2ccccc2c1 62a_100000748600_100000737414 [0,0,0,0,0,0|1,1,2]=4 140 B16R2.2441 CC=CCNc1ccc2ccccc2c1 34a_100000211940_100000070051 [0,0,0,0,0,0|1,0,2]=3 141 B16R2.2441 CC=CCNc1ccc2ccccc2c1 7a_100000211940_100000070051 [0,0,0,0,0,0|1,0,2]=3 142 B16R2.2441 CC=CCNc1ccc2cccnc2c1 34a_100102887122_100000070051 [0,0,0,0,0,0|2,0,2]=4 143 B16R2.2441 CC=CCNc1ccc2cnccc2c1 34a_100000039641_100000070051 [0,0,0,0,0,0|2,0,2]=4 144 B16R2.2441 CC=CCNc1ccc2ncccc2c1 34a_100011198106_100000070051 [0,0,0,0,0,0|2,0,2]=4 145 B16R2.2441 CC=CCOc1ccc2ccccc2c1 34a_100000185828_100000070051 [0,0,0,0,0,0|0,0,2]=2 146 B16R2.2441 CC=CCOc1ccc2ccccc2c1 7a_100000185828_100000070051 [0,0,0,0,0,0|0,0,2]=2 147 B16R2.2441 CC=CCOc1ccc2cccnc2c1 34a_100011216045_100000070051 [0,0,0,0,0,0|1,0,2]=3 148 B16R2.2441 CC=CCOc1ccc2ccncc2c1 7a_100000752006_100000070051 [0,0,0,0,0,0|1,0,2]=3 149 B16R2.2441 CC=CCOc1ccc2cnccc2c1 34a_100000046372_100000070051 [0,0,0,0,0,0|1,0,2]=3 150 B16R2.2441 CC=CCOc1ccc2cnccc2c1 7a_100000046372_100000070051 [0,0,0,0,0,0|1,0,2]=3 151 B16R2.2441 CC=CCOc1ccc2ncccc2c1 34a_100011215586_100000070051 [0,0,0,0,0,0|1,0,2]=3 152 B16R2.2441 CC=CCOc1ccc2ncccc2c1 7a_100011215586_100000070051 [0,0,0,0,0,0|1,0,2]=3 153 B16R2.2441 CC=CCOc1ccc2nccnc2c1 34a_100000694412_100000070051 [0,0,0,0,0,0|2,0,2]=4 154 B16R2.2441 CC=CCOc1cnc2ccccc2c1 34a_100011934006_100000070051 [0,0,0,0,0,0|1,0,2]=3 155 B16R2.2441 CC=CCOc1cnc2ccccc2c1 7a_100011934006_100000070051 [0,0,0,0,0,0|1,0,2]=3 156 B16R2.2441 CC=CCSc1cc2ccccc2cn1 62a_100000070051_100000047361 [0,0,0,0,0,0|1,1,2]=4 157 B16R2.2441 CC=CCSc1cc2ccccc2cn1 62a_100009816522_100000070051 [0,0,0,0,0,0|1,1,2]=4 158 B16R2.2441 CC=CCSc1ccc2ccccc2c1 62a_100000070051_100000233703 [0,0,0,0,0,0|0,1,2]=3 159 B16R2.2441 CC=CCSc1ccc2ccccc2n1 62a_100000070051_100011291633 [0,0,0,0,0,0|1,1,2]=4 160 B16R2.2441 CC=CCSc1ccc2ccccc2n1 62a_100011291633_100000070051 [0,0,0,0,0,0|1,1,2]=4 161 B16R2.2441 CC=CCSc1ccc2cccnc2c1 62a_100000070051_100009816655 [0,0,0,0,0,0|1,1,2]=4 162 B16R2.2441 CC=CCSc1ccc2ccncc2c1 62a_100000070051_100000686496 [0,0,0,0,0,0|1,1,2]=4 163 B16R2.2441 CC=CCSc1ccc2ccncc2c1 62a_100000686496_100000070051 [0,0,0,0,0,0|1,1,2]=4 164 B16R2.2441 CC=CCSc1ccc2cnccc2c1 62a_100000070051_100009816743 [0,0,0,0,0,0|1,1,2]=4 165 B16R2.2441 CC=CCSc1ccc2cnccc2c1 62a_100009816743_100000070051 [0,0,0,0,0,0|1,1,2]=4 166 B16R2.2441 CC=CCSc1ccc2ncccc2c1 62a_100000070051_100011215947 [0,0,0,0,0,0|1,1,2]=4 167 B16R2.2441 CC=CCSc1ccc2ncccc2c1 62a_100011215947_100000070051 [0,0,0,0,0,0|1,1,2]=4 168 B16R2.2441 CC=CCSc1cnc2ccccc2c1 62a_100000070051_100000737414 [0,0,0,0,0,0|1,1,2]=4 169 B16R2.2441 CCC=NNc1ccc2ccccc2c1 4a_100016987534_100000210100 [0,0,0,0,0,0|2,0,1]=3 170 B16R2.2441 CCC=NNc1ccc2ccccc2n1 4a_100000212036_100000210100 [0,0,0,0,0,0|3,0,1]=4 171 B16R2.2441 CCC=NNc1ccc2cccnc2c1 4a_200016991157_100000210100 [0,0,0,0,0,0|3,0,1]=4 172 B16R2.2441 CCC=NNc1ccc2ncccc2c1 4a_100025741853_100000210100 [0,0,0,0,0,0|3,0,1]=4 173 B16R2.2441 CCCC=Cc1cc2ccccc2cn1 271570a_100016258520_100000047361 [0,0,0,0,0,0|2,0,1]=3 174 B16R2.2441 CCCC=Cc1ccc2ccccc2c1 271570a_100016258520_100000233703 [0,0,0,0,0,0|1,0,1]=2 175 B16R2.2441 CCCC=Cc1ccc2ccccc2n1 271570a_100016258520_100011291633 [0,0,0,0,0,0|2,0,1]=3 176 B16R2.2441 CCCC=Cc1ccc2cccnc2c1 271570a_100016258520_100009816655 [0,0,0,0,0,0|2,0,1]=3 177 B16R2.2441 CCCC=Cc1ccc2cccnc2n1 271570a_100016258520_100009888989 [0,0,0,0,0,0|3,0,1]=4 178 B16R2.2441 CCCC=Cc1ccc2ccncc2c1 271570a_100016258520_100000686496 [0,0,0,0,0,0|2,0,1]=3 179 B16R2.2441 CCCC=Cc1ccc2ccncc2n1 271570a_100016258520_100000020162 [0,0,0,0,0,0|3,0,1]=4 180 B16R2.2441 CCCC=Cc1ccc2cnccc2c1 271570a_100016258520_100009816743 [0,0,0,0,0,0|2,0,1]=3 181 B16R2.2441 CCCC=Cc1ccc2cncnc2c1 271570a_100016258520_100010185614 [0,0,0,0,0,0|3,0,1]=4 182 B16R2.2441 CCCC=Cc1ccc2cnncc2c1 271570a_100016258520_100010198781 [0,0,0,0,0,0|3,0,1]=4 183 B16R2.2441 CCCC=Cc1ccc2ncccc2c1 271570a_100016258520_100000754243 [0,0,0,0,0,0|2,0,1]=3 184 B16R2.2441 CCCC=Cc1ccc2ncccc2n1 271570a_100016258520_100000073381 [0,0,0,0,0,0|3,0,1]=4 185 B16R2.2441 CCCC=Cc1ccc2nccnc2c1 271570a_100016258520_100011219451 [0,0,0,0,0,0|3,0,1]=4 186 B16R2.2441 CCCC=Cc1ccc2ncncc2c1 271570a_100016258520_100009989443 [0,0,0,0,0,0|3,0,1]=4 187 B16R2.2441 CCCC=Cc1ccc2nnccc2c1 271570a_100016258520_100010209549 [0,0,0,0,0,0|3,0,1]=4 188 B16R2.2441 CCCC=Cc1cnc2ccccc2c1 271570a_100016258520_100000737414 [0,0,0,0,0,0|2,0,1]=3 189 B16R2.2441 CCCC=Cc1cnc2ccccc2n1 271570a_100016258520_100000756483 [0,0,0,0,0,0|3,0,1]=4 190 B16R2.2441 CCCC=Cc1cnc2cccnc2c1 271570a_100016258520_100010246316 [0,0,0,0,0,0|3,0,1]=4 191 B16R2.2441 CCCC=Cc1ncc2ccccc2n1 271570a_100016258520_100000097389 [0,0,0,0,0,0|3,0,1]=4 192 B16R2.2441 CCCCNc1cc2nccnc2cn1 27a_100000102301_100000070204 [0,0,0,0,0,0|4,0,0]=4 193 B16R2.2441 CCCCNc1ccc2ccccc2c1 34a_100000211940_100000210210 [0,0,0,0,0,0|1,0,0]=1 194 B16R2.2441 CCCCNc1ccc2ccccc2c1 7a_100000211940_100000210211 [0,0,0,0,0,0|1,0,0]=1 195 B16R2.2441 CCCCNc1ccc2ccccc2n1 27a_100000102301_100011291633 [0,0,0,0,0,0|2,0,0]=2 196 B16R2.2441 CCCCNc1ccc2cccnc2c1 34a_100102887122_100000210210 [0,0,0,0,0,0|2,0,0]=2 197 B16R2.2441 CCCCNc1ccc2cccnc2n1 27a_100000102301_100000075685 [0,0,0,0,0,0|3,0,0]=3 198 B16R2.2441 CCCCNc1ccc2ccncc2n1 27a_100000102301_100000020162 [0,0,0,0,0,0|3,0,0]=3 199 B16R2.2441 CCCCNc1ccc2cnccc2c1 34a_100000039641_100000210210 [0,0,0,0,0,0|2,0,0]=2 200 B16R2.2441 CCCCNc1ccc2cncnc2c1 27a_100000102301_100010185614 [0,0,0,0,0,0|3,0,0]=3 201 B16R2.2441 CCCCNc1ccc2ncccc2c1 34a_100011198106_100000210210 [0,0,0,0,0,0|2,0,0]=2 202 B16R2.2441 CCCCNc1ccc2ncccc2n1 27a_100000102301_100000073381 [0,0,0,0,0,0|3,0,0]=3 203 B16R2.2441 CCCCNc1ccc2nccnc2c1 27a_100000102301_100011219451 [0,0,0,0,0,0|3,0,0]=3 204 B16R2.2441 CCCCNc1ccc2nccnc2c1 34a_100011219565_100000210210 [0,0,0,0,0,0|3,0,0]=3 205 B16R2.2441 CCCCNc1ccc2nccnc2n1 27a_100000102301_100012351543 [0,0,0,0,0,0|4,0,0]=4 206 B16R2.2441 CCCCNc1cnc2ccccc2n1 27a_100000102301_100000756483 [0,0,0,0,0,0|3,0,0]=3 207 B16R2.2441 CCCCNc1cnc2cccnc2n1 27a_100000102301_200010275043 [0,0,0,0,0,0|4,0,0]=4 208 B16R2.2441 CCCCNc1cnc2ncccc2n1 27a_100000102301_100000084304 [0,0,0,0,0,0|4,0,0]=4 209 B16R2.2441 CCCCNc1cnc2nccnc2c1 27a_100000102301_100000753224 [0,0,0,0,0,0|4,0,0]=4 210 B16R2.2441 CCCCNc1ncc2ccccc2n1 27a_100000102301_100000097389 [0,0,0,0,0,0|3,0,0]=3 211 B16R2.2441 CCCCNc1ncc2cccnc2n1 27a_100000102301_100009875485 [0,0,0,0,0,0|4,0,0]=4 212 B16R2.2441 CCCCOC1CCc2ccccc2C1 34a_100011216300_100000210210 [0,0,0,0,0,0|0,0,4]=4 213 B16R2.2441 CCCCOC1CCc2ccccc2C1 7a_100011216300_100000210211 [0,0,0,0,0,0|0,0,4]=4 214 B16R2.2441 CCCCOC1Cc2ccccc2CO1 34a_200000095866_100000210210 [0,0,0,0,0,0|1,0,3]=4 215 B16R2.2441 CCCCOc1ccc2c(c1)CCCC2 34a_100000186212_100000210210 [0,0,0,0,0,0|0,0,4]=4 216 B16R2.2441 CCCCOc1ccc2c(c1)CCCC2 7a_100000186212_100000210211 [0,0,0,0,0,0|0,0,4]=4 217 B16R2.2441 CCCCOc1ccc2c(c1)CCCN2 34a_100000070867_100000210210 [0,0,0,0,0,0|1,0,3]=4 218 B16R2.2441 CCCCOc1ccc2c(c1)CCNC2 34a_100000077532_100000210210 [0,0,0,0,0,0|1,0,3]=4 219 B16R2.2441 CCCCOc1ccc2c(c1)CCOC2 34a_100009841951_100000210210 [0,0,0,0,0,0|1,0,3]=4 220 B16R2.2441 CCCCOc1ccc2c(c1)CCOC2 7a_100009841951_100000210211 [0,0,0,0,0,0|1,0,3]=4 221 B16R2.2441 CCCCOc1ccc2c(c1)CNCC2 34a_100015185785_100000210210 [0,0,0,0,0,0|1,0,3]=4 222 B16R2.2441 CCCCOc1ccc2c(c1)NCCC2 34a_106638131596_100000210210 [0,0,0,0,0,0|1,0,3]=4 223 B16R2.2441 CCCCOc1ccc2c(c1)NCCO2 34a_100020636358_100000210210 [0,0,0,0,0,0|2,0,2]=4 224 B16R2.2441 CCCCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210210 [0,0,0,0,0,0|2,0,2]=4 225 B16R2.2441 CCCCOc1ccc2ccccc2c1 34a_100000185828_100000210210 [0,0,0,0,0,0|0,0,0]=0 226 B16R2.2441 CCCCOc1ccc2ccccc2c1 7a_100000185828_100000210211 [0,0,0,0,0,0|0,0,0]=0 227 B16R2.2441 CCCCOc1ccc2cccnc2c1 34a_100011216045_100000210210 [0,0,0,0,0,0|1,0,0]=1 228 B16R2.2441 CCCCOc1ccc2ccncc2c1 7a_100000752006_100000210211 [0,0,0,0,0,0|1,0,0]=1 229 B16R2.2441 CCCCOc1ccc2cnccc2c1 34a_100000046372_100000210210 [0,0,0,0,0,0|1,0,0]=1 230 B16R2.2441 CCCCOc1ccc2cnccc2c1 7a_100000046372_100000210211 [0,0,0,0,0,0|1,0,0]=1 231 B16R2.2441 CCCCOc1ccc2ncccc2c1 34a_100011215586_100000210210 [0,0,0,0,0,0|1,0,0]=1 232 B16R2.2441 CCCCOc1ccc2ncccc2c1 7a_100011215586_100000210211 [0,0,0,0,0,0|1,0,0]=1 233 B16R2.2441 CCCCOc1ccc2nccnc2c1 34a_100000694412_100000210210 [0,0,0,0,0,0|2,0,0]=2 234 B16R2.2441 CCCCOc1cnc2ccccc2c1 34a_100011934006_100000210210 [0,0,0,0,0,0|1,0,0]=1 235 B16R2.2441 CCCCOc1cnc2ccccc2c1 7a_100011934006_100000210211 [0,0,0,0,0,0|1,0,0]=1 236 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100000210211_100000047361 [0,0,0,0,0,0|1,1,0]=2 237 B16R2.2441 CCCCSc1cc2ccccc2cn1 62a_100009816522_100000210210 [0,0,0,0,0,0|1,1,0]=2 238 B16R2.2441 CCCCSc1cc2nccnc2cn1 62a_100000210211_100010370699 [0,0,0,0,0,0|3,1,0]=4 239 B16R2.2441 CCCCSc1cc2nccnc2cn1 62a_100010370699_100000210210 [0,0,0,0,0,0|3,1,0]=4 240 B16R2.2441 CCCCSc1ccc2ccccc2c1 62a_100000210211_100000233703 [0,0,0,0,0,0|0,1,0]=1 241 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100000210211_100011291633 [0,0,0,0,0,0|1,1,0]=2 242 B16R2.2441 CCCCSc1ccc2ccccc2n1 62a_100011291633_100000210210 [0,0,0,0,0,0|1,1,0]=2 243 B16R2.2441 CCCCSc1ccc2cccnc2c1 62a_100000210211_100009816655 [0,0,0,0,0,0|1,1,0]=2 244 B16R2.2441 CCCCSc1ccc2cccnc2n1 62a_100000075685_100000210210 [0,0,0,0,0,0|2,1,0]=3 245 B16R2.2441 CCCCSc1ccc2cccnc2n1 62a_100000210211_100000075685 [0,0,0,0,0,0|2,1,0]=3 246 B16R2.2441 CCCCSc1ccc2ccncc2c1 62a_100000210211_100000686496 [0,0,0,0,0,0|1,1,0]=2 247 B16R2.2441 CCCCSc1ccc2ccncc2c1 62a_100000686496_100000210210 [0,0,0,0,0,0|1,1,0]=2 248 B16R2.2441 CCCCSc1ccc2ccncc2n1 62a_100000210211_100000020162 [0,0,0,0,0,0|2,1,0]=3 249 B16R2.2441 CCCCSc1ccc2cnccc2c1 62a_100000210211_100009816743 [0,0,0,0,0,0|1,1,0]=2 250 B16R2.2441 CCCCSc1ccc2cnccc2c1 62a_100009816743_100000210210 [0,0,0,0,0,0|1,1,0]=2 251 B16R2.2441 CCCCSc1ccc2cncnc2c1 62a_100000210211_100010185614 [0,0,0,0,0,0|2,1,0]=3 252 B16R2.2441 CCCCSc1ccc2cncnc2c1 62a_100010185614_100000210210 [0,0,0,0,0,0|2,1,0]=3 253 B16R2.2441 CCCCSc1ccc2cnncc2c1 62a_100000210211_100010198781 [0,0,0,0,0,0|2,1,0]=3 254 B16R2.2441 CCCCSc1ccc2cnncc2c1 62a_100010198781_100000210210 [0,0,0,0,0,0|2,1,0]=3 255 B16R2.2441 CCCCSc1ccc2ncccc2c1 62a_100000210211_100011215947 [0,0,0,0,0,0|1,1,0]=2 256 B16R2.2441 CCCCSc1ccc2ncccc2c1 62a_100011215947_100000210210 [0,0,0,0,0,0|1,1,0]=2 257 B16R2.2441 CCCCSc1ccc2ncccc2n1 62a_100000210211_100000073381 [0,0,0,0,0,0|2,1,0]=3 258 B16R2.2441 CCCCSc1ccc2nccnc2c1 62a_100000210211_100011219451 [0,0,0,0,0,0|2,1,0]=3 259 B16R2.2441 CCCCSc1ccc2nccnc2c1 62a_100011219451_100000210210 [0,0,0,0,0,0|2,1,0]=3 260 B16R2.2441 CCCCSc1ccc2nccnc2n1 62a_100000210211_100012351543 [0,0,0,0,0,0|3,1,0]=4 261 B16R2.2441 CCCCSc1ccc2nccnc2n1 62a_100012351543_100000210210 [0,0,0,0,0,0|3,1,0]=4 262 B16R2.2441 CCCCSc1ccc2ncncc2c1 62a_100000210211_100009989443 [0,0,0,0,0,0|2,1,0]=3 263 B16R2.2441 CCCCSc1ccc2ncncc2c1 62a_100009989443_100000210210 [0,0,0,0,0,0|2,1,0]=3 264 B16R2.2441 CCCCSc1ccc2nnccc2c1 62a_100000210211_100010209549 [0,0,0,0,0,0|2,1,0]=3 265 B16R2.2441 CCCCSc1ccc2nnccc2c1 62a_100010209549_100000210210 [0,0,0,0,0,0|2,1,0]=3 266 B16R2.2441 CCCCSc1cnc2ccccc2c1 62a_100000210211_100000737414 [0,0,0,0,0,0|1,1,0]=2 267 B16R2.2441 CCCCSc1cnc2ccccc2n1 62a_100000210211_100000756483 [0,0,0,0,0,0|2,1,0]=3 268 B16R2.2441 CCCCSc1cnc2ccccc2n1 62a_100000756483_100000210210 [0,0,0,0,0,0|2,1,0]=3 269 B16R2.2441 CCCCSc1cnc2cccnc2c1 62a_100000210211_100010246316 [0,0,0,0,0,0|2,1,0]=3 270 B16R2.2441 CCCCSc1cnc2cccnc2c1 62a_100010246316_100000210210 [0,0,0,0,0,0|2,1,0]=3 271 B16R2.2441 CCCCSc1cnc2cccnc2n1 62a_100000210211_200010275043 [0,0,0,0,0,0|3,1,0]=4 272 B16R2.2441 CCCCSc1cnc2cccnc2n1 62a_200010275043_100000210210 [0,0,0,0,0,0|3,1,0]=4 273 B16R2.2441 CCCCSc1cnc2ncccc2n1 62a_100000084304_100000210210 [0,0,0,0,0,0|3,1,0]=4 274 B16R2.2441 CCCCSc1cnc2ncccc2n1 62a_100000210211_100000084304 [0,0,0,0,0,0|3,1,0]=4 275 B16R2.2441 CCCCSc1cnc2nccnc2c1 62a_100000210211_100000753224 [0,0,0,0,0,0|3,1,0]=4 276 B16R2.2441 CCCCSc1cnc2nccnc2c1 62a_100000753224_100000210210 [0,0,0,0,0,0|3,1,0]=4 277 B16R2.2441 CCCCSc1ncc2ccccc2n1 62a_100000210211_100000097389 [0,0,0,0,0,0|2,1,0]=3 278 B16R2.2441 CCCCSc1ncc2cccnc2n1 62a_100000210211_100009875485 [0,0,0,0,0,0|3,1,0]=4 279 B16R2.2441 CCCCSc1ncc2cccnc2n1 62a_100009875485_100000210210 [0,0,0,0,0,0|3,1,0]=4 280 B16R2.2441 CCCNCC1=Cc2ccccc2OC1 270004a_100020643023_100000013085 [0,0,0,0,0,0|3,0,1]=4 281 B16R2.2441 CCCNCc1cc2ccccc2cn1 207a_100020643023_100000059776 [0,0,0,0,0,0|3,0,0]=3 282 B16R2.2441 CCCNCc1cc2ccccc2cn1 270004a_100020643023_100000059776 [0,0,0,0,0,0|3,0,0]=3 283 B16R2.2441 CCCNCc1ccc2ccccc2c1 207a_100020643023_100000211584 [0,0,0,0,0,0|2,0,0]=2 284 B16R2.2441 CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210303 [0,0,0,0,0,0|2,0,0]=2 285 B16R2.2441 CCCNCc1ccc2ccccc2c1 270004a_100020643023_100000211584 [0,0,0,0,0,0|2,0,0]=2 286 B16R2.2441 CCCNCc1ccc2ccccc2c1 34a_100000739491_100000210303 [0,0,0,0,0,0|2,0,0]=2 287 B16R2.2441 CCCNCc1ccc2ccccc2n1 207a_100020643023_100000759686 [0,0,0,0,0,0|3,0,0]=3 288 B16R2.2441 CCCNCc1ccc2ccccc2n1 270004a_100020643023_100000759686 [0,0,0,0,0,0|3,0,0]=3 289 B16R2.2441 CCCNCc1ccc2cccnc2c1 207a_100020643023_100011784159 [0,0,0,0,0,0|3,0,0]=3 290 B16R2.2441 CCCNCc1ccc2cccnc2c1 270004a_100020643023_100011784159 [0,0,0,0,0,0|3,0,0]=3 291 B16R2.2441 CCCNCc1ccc2cnccc2c1 207a_100020643023_100000068276 [0,0,0,0,0,0|3,0,0]=3 292 B16R2.2441 CCCNCc1ccc2cnccc2c1 270004a_100020643023_100000068276 [0,0,0,0,0,0|3,0,0]=3 293 B16R2.2441 CCCNCc1ccc2ncccc2c1 207a_100020643023_100000211315 [0,0,0,0,0,0|3,0,0]=3 294 B16R2.2441 CCCNCc1ccc2ncccc2c1 270004a_100020643023_100000211315 [0,0,0,0,0,0|3,0,0]=3 295 B16R2.2441 CCCNCc1ccc2ncccc2c1 34a_100000238500_100000210303 [0,0,0,0,0,0|3,0,0]=3 296 B16R2.2441 CCCNCc1ccc2nccnc2c1 270004a_100020643023_100000239887 [0,0,0,0,0,0|4,0,0]=4 297 B16R2.2441 CCCNCc1cnc2ccccc2c1 207a_100020643023_100000750898 [0,0,0,0,0,0|3,0,0]=3 298 B16R2.2441 CCCNCc1cnc2ccccc2c1 270004a_100020643023_100000750898 [0,0,0,0,0,0|3,0,0]=3 299 B16R2.2441 CCCNCc1cnc2ccccc2c1 34a_100000742225_100000210303 [0,0,0,0,0,0|3,0,0]=3 300 B16R2.2441 CCCNCc1cnc2ccccc2n1 270004a_100020643023_100000204677 [0,0,0,0,0,0|4,0,0]=4 301 B16R2.2441 CCCOCc1cc2ccccc2cn1 34a_100000210258_100009869231 [0,0,0,0,0,0|3,0,0]=3 302 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100000210258_100011216711 [0,0,0,0,0,0|2,0,0]=2 303 B16R2.2441 CCCOCc1ccc2ccccc2c1 34a_100011215330_100000210303 [0,0,0,0,0,0|2,0,0]=2 304 B16R2.2441 CCCOCc1ccc2ccccc2c1 7a_100011215330_100000210303 [0,0,0,0,0,0|2,0,0]=2 305 B16R2.2441 CCCOCc1ccc2ccccc2n1 34a_100000210258_100000737579 [0,0,0,0,0,0|3,0,0]=3 306 B16R2.2441 CCCOCc1ccc2cnccc2c1 34a_100000210258_100020605334 [0,0,0,0,0,0|3,0,0]=3 307 B16R2.2441 CCCOCc1ccc2ncccc2c1 34a_100000210258_100000703657 [0,0,0,0,0,0|3,0,0]=3 308 B16R2.2441 CCCOCc1ccc2ncccc2c1 34a_100011315636_100000210303 [0,0,0,0,0,0|3,0,0]=3 309 B16R2.2441 CCCOCc1cnc2ccccc2c1 34a_100011258773_100000210303 [0,0,0,0,0,0|3,0,0]=3 310 B16R2.2441 CCCOCc1ncc2ccccc2n1 34a_100000210258_100009868571 [0,0,0,0,0,0|4,0,0]=4 311 B16R2.2441 CCCSCc1cc2ccccc2cn1 62a_100000210303_100009869231 [0,0,0,0,0,0|3,0,0]=3 312 B16R2.2441 CCCSCc1cc2ccccc2cn1 62a_100009869231_100000210303 [0,0,0,0,0,0|3,0,0]=3 313 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100000210303_100011216711 [0,0,0,0,0,0|2,0,0]=2 314 B16R2.2441 CCCSCc1ccc2ccccc2c1 62a_100011216711_100000210303 [0,0,0,0,0,0|2,0,0]=2 315 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000210303_100000737579 [0,0,0,0,0,0|3,0,0]=3 316 B16R2.2441 CCCSCc1ccc2ccccc2n1 62a_100000737579_100000210303 [0,0,0,0,0,0|3,0,0]=3 317 B16R2.2441 CCCSCc1ccc2cnccc2c1 62a_100000210303_100020605334 [0,0,0,0,0,0|3,0,0]=3 318 B16R2.2441 CCCSCc1ccc2cnccc2c1 62a_100020605334_100000210303 [0,0,0,0,0,0|3,0,0]=3 319 B16R2.2441 CCCSCc1ccc2ncccc2c1 62a_100000210303_100000703657 [0,0,0,0,0,0|3,0,0]=3 320 B16R2.2441 CCCSCc1ccc2ncccc2c1 62a_100000703657_100000210303 [0,0,0,0,0,0|3,0,0]=3 321 B16R2.2441 CCCSCc1ccc2nccnc2c1 62a_100000210303_200011762199 [0,0,0,0,0,0|4,0,0]=4 322 B16R2.2441 CCCSCc1ccc2nccnc2c1 62a_200011762199_100000210303 [0,0,0,0,0,0|4,0,0]=4 323 B16R2.2441 CCCSCc1cnc2ccccc2n1 62a_100000210303_200000751123 [0,0,0,0,0,0|4,0,0]=4 324 B16R2.2441 CCCSCc1cnc2ccccc2n1 62a_200000751123_100000210303 [0,0,0,0,0,0|4,0,0]=4 325 B16R2.2441 CCCSCc1ncc2ccccc2n1 62a_100000210303_100009868571 [0,0,0,0,0,0|4,0,0]=4 326 B16R2.2441 CCCSCc1ncc2ccccc2n1 62a_100009868571_100000210303 [0,0,0,0,0,0|4,0,0]=4 327 B16R2.2441 CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210202 [0,0,0,0,0,0|2,0,0]=2 328 B16R2.2441 CCNCCc1ccc2ccccc2c1 34a_100000746582_100000210202 [0,0,0,0,0,0|2,0,0]=2 329 B16R2.2441 CCNN=Cc1cc2ccccc2cn1 4a_100000756455_100000059776 [0,0,0,0,0,0|4,0,0]=4 330 B16R2.2441 CCNN=Cc1ccc2ccccc2c1 4a_100000756455_100000211584 [0,0,0,0,0,0|3,0,0]=3 331 B16R2.2441 CCNN=Cc1ccc2ccccc2n1 4a_100000756455_100000759686 [0,0,0,0,0,0|4,0,0]=4 332 B16R2.2441 CCNN=Cc1ccc2cccnc2c1 4a_100000756455_100011784159 [0,0,0,0,0,0|4,0,0]=4 333 B16R2.2441 CCNN=Cc1ccc2cnccc2c1 4a_100000756455_100000068276 [0,0,0,0,0,0|4,0,0]=4 334 B16R2.2441 CCNN=Cc1ccc2ncccc2c1 4a_100000756455_100000211315 [0,0,0,0,0,0|4,0,0]=4 335 B16R2.2441 CCNN=Cc1cnc2ccccc2c1 4a_100000756455_100000750898 [0,0,0,0,0,0|4,0,0]=4 336 B16R2.2441 CCOC=Cc1cc2ccccc2cn1 271570a_100016256518_100000047361 [0,0,0,0,0,0|3,0,1]=4 337 B16R2.2441 CCOC=Cc1ccc2ccccc2c1 271570a_100016256518_100000233703 [0,0,0,0,0,0|2,0,1]=3 338 B16R2.2441 CCOC=Cc1ccc2ccccc2n1 271570a_100016256518_100011291633 [0,0,0,0,0,0|3,0,1]=4 339 B16R2.2441 CCOC=Cc1ccc2cccnc2c1 271570a_100016256518_100009816655 [0,0,0,0,0,0|3,0,1]=4 340 B16R2.2441 CCOC=Cc1ccc2ccncc2c1 271570a_100016256518_100000686496 [0,0,0,0,0,0|3,0,1]=4 341 B16R2.2441 CCOC=Cc1ccc2cnccc2c1 271570a_100016256518_100009816743 [0,0,0,0,0,0|3,0,1]=4 342 B16R2.2441 CCOC=Cc1ccc2ncccc2c1 271570a_100016256518_100000754243 [0,0,0,0,0,0|3,0,1]=4 343 B16R2.2441 CCOC=Cc1cnc2ccccc2c1 271570a_100016256518_100000737414 [0,0,0,0,0,0|3,0,1]=4 344 B16R2.2441 CCOCCc1ccc2ccccc2c1 34a_100000755654_100000210202 [0,0,0,0,0,0|2,0,0]=2 345 B16R2.2441 CCOCCc1ccc2ccccc2c1 7a_100000755654_100000210202 [0,0,0,0,0,0|2,0,0]=2 346 B16R2.2441 CCOCCc1ccc2ccccc2n1 34a_100011996444_100000210202 [0,0,0,0,0,0|3,0,0]=3 347 B16R2.2441 CCOCSc1cc2ccccc2cn1 62a_100000739092_100000047361 [0,0,0,0,0,0|2,1,0]=3 348 B16R2.2441 CCOCSc1cc2ccccc2cn1 62a_100009816522_100000739092 [0,0,0,0,0,0|2,1,0]=3 349 B16R2.2441 CCOCSc1ccc2ccccc2c1 62a_100000739092_100000233703 [0,0,0,0,0,0|1,1,0]=2 350 B16R2.2441 CCOCSc1ccc2ccccc2n1 62a_100000739092_100011291633 [0,0,0,0,0,0|2,1,0]=3 351 B16R2.2441 CCOCSc1ccc2ccccc2n1 62a_100011291633_100000739092 [0,0,0,0,0,0|2,1,0]=3 352 B16R2.2441 CCOCSc1ccc2cccnc2c1 62a_100000739092_100009816655 [0,0,0,0,0,0|2,1,0]=3 353 B16R2.2441 CCOCSc1ccc2cccnc2n1 62a_100000075685_100000739092 [0,0,0,0,0,0|3,1,0]=4 354 B16R2.2441 CCOCSc1ccc2cccnc2n1 62a_100000739092_100000075685 [0,0,0,0,0,0|3,1,0]=4 355 B16R2.2441 CCOCSc1ccc2ccncc2c1 62a_100000686496_100000739092 [0,0,0,0,0,0|2,1,0]=3 356 B16R2.2441 CCOCSc1ccc2ccncc2c1 62a_100000739092_100000686496 [0,0,0,0,0,0|2,1,0]=3 357 B16R2.2441 CCOCSc1ccc2ccncc2n1 62a_100000739092_100000020162 [0,0,0,0,0,0|3,1,0]=4 358 B16R2.2441 CCOCSc1ccc2cnccc2c1 62a_100000739092_100009816743 [0,0,0,0,0,0|2,1,0]=3 359 B16R2.2441 CCOCSc1ccc2cnccc2c1 62a_100009816743_100000739092 [0,0,0,0,0,0|2,1,0]=3 360 B16R2.2441 CCOCSc1ccc2cncnc2c1 62a_100000739092_100010185614 [0,0,0,0,0,0|3,1,0]=4 361 B16R2.2441 CCOCSc1ccc2cncnc2c1 62a_100010185614_100000739092 [0,0,0,0,0,0|3,1,0]=4 362 B16R2.2441 CCOCSc1ccc2cnncc2c1 62a_100000739092_100010198781 [0,0,0,0,0,0|3,1,0]=4 363 B16R2.2441 CCOCSc1ccc2cnncc2c1 62a_100010198781_100000739092 [0,0,0,0,0,0|3,1,0]=4 364 B16R2.2441 CCOCSc1ccc2ncccc2c1 62a_100000739092_100011215947 [0,0,0,0,0,0|2,1,0]=3 365 B16R2.2441 CCOCSc1ccc2ncccc2c1 62a_100011215947_100000739092 [0,0,0,0,0,0|2,1,0]=3 366 B16R2.2441 CCOCSc1ccc2ncccc2n1 62a_100000739092_100000073381 [0,0,0,0,0,0|3,1,0]=4 367 B16R2.2441 CCOCSc1ccc2nccnc2c1 62a_100000739092_100011219451 [0,0,0,0,0,0|3,1,0]=4 368 B16R2.2441 CCOCSc1ccc2nccnc2c1 62a_100011219451_100000739092 [0,0,0,0,0,0|3,1,0]=4 369 B16R2.2441 CCOCSc1ccc2ncncc2c1 62a_100000739092_100009989443 [0,0,0,0,0,0|3,1,0]=4 370 B16R2.2441 CCOCSc1ccc2ncncc2c1 62a_100009989443_100000739092 [0,0,0,0,0,0|3,1,0]=4 371 B16R2.2441 CCOCSc1ccc2nnccc2c1 62a_100000739092_100010209549 [0,0,0,0,0,0|3,1,0]=4 372 B16R2.2441 CCOCSc1ccc2nnccc2c1 62a_100010209549_100000739092 [0,0,0,0,0,0|3,1,0]=4 373 B16R2.2441 CCOCSc1cnc2ccccc2c1 62a_100000739092_100000737414 [0,0,0,0,0,0|2,1,0]=3 374 B16R2.2441 CCOCSc1cnc2ccccc2n1 62a_100000739092_100000756483 [0,0,0,0,0,0|3,1,0]=4 375 B16R2.2441 CCOCSc1cnc2ccccc2n1 62a_100000756483_100000739092 [0,0,0,0,0,0|3,1,0]=4 376 B16R2.2441 CCOCSc1cnc2cccnc2c1 62a_100000739092_100010246316 [0,0,0,0,0,0|3,1,0]=4 377 B16R2.2441 CCOCSc1cnc2cccnc2c1 62a_100010246316_100000739092 [0,0,0,0,0,0|3,1,0]=4 378 B16R2.2441 CCOCSc1ncc2ccccc2n1 62a_100000739092_100000097389 [0,0,0,0,0,0|3,1,0]=4 379 B16R2.2441 COCC=Cc1cc2ccccc2cn1 271570a_100016286323_100000047361 [0,0,0,0,0,0|3,0,1]=4 380 B16R2.2441 COCC=Cc1ccc2ccccc2c1 271570a_100016286323_100000233703 [0,0,0,0,0,0|2,0,1]=3 381 B16R2.2441 COCC=Cc1ccc2ccccc2n1 271570a_100016286323_100011291633 [0,0,0,0,0,0|3,0,1]=4 382 B16R2.2441 COCC=Cc1ccc2cccnc2c1 271570a_100016286323_100009816655 [0,0,0,0,0,0|3,0,1]=4 383 B16R2.2441 COCC=Cc1ccc2ccncc2c1 271570a_100016286323_100000686496 [0,0,0,0,0,0|3,0,1]=4 384 B16R2.2441 COCC=Cc1ccc2cnccc2c1 271570a_100016286323_100009816743 [0,0,0,0,0,0|3,0,1]=4 385 B16R2.2441 COCC=Cc1ccc2ncccc2c1 271570a_100016286323_100000754243 [0,0,0,0,0,0|3,0,1]=4 386 B16R2.2441 COCC=Cc1cnc2ccccc2c1 271570a_100016286323_100000737414 [0,0,0,0,0,0|3,0,1]=4 387 B16R2.2441 COCCNc1ccc2ccccc2c1 34a_100000211940_100011201679 [0,0,0,0,0,0|2,0,0]=2 388 B16R2.2441 COCCNc1ccc2ccccc2c1 7a_100000211940_100000233755 [0,0,0,0,0,0|2,0,0]=2 389 B16R2.2441 COCCNc1ccc2ccccc2n1 27a_100000209980_100011291633 [0,0,0,0,0,0|3,0,0]=3 390 B16R2.2441 COCCNc1ccc2cccnc2c1 34a_100102887122_100011201679 [0,0,0,0,0,0|3,0,0]=3 391 B16R2.2441 COCCNc1ccc2cccnc2n1 27a_100000209980_100000075685 [0,0,0,0,0,0|4,0,0]=4 392 B16R2.2441 COCCNc1ccc2ccncc2n1 27a_100000209980_100000020162 [0,0,0,0,0,0|4,0,0]=4 393 B16R2.2441 COCCNc1ccc2cnccc2c1 34a_100000039641_100011201679 [0,0,0,0,0,0|3,0,0]=3 394 B16R2.2441 COCCNc1ccc2cncnc2c1 27a_100000209980_100010185614 [0,0,0,0,0,0|4,0,0]=4 395 B16R2.2441 COCCNc1ccc2ncccc2c1 34a_100011198106_100011201679 [0,0,0,0,0,0|3,0,0]=3 396 B16R2.2441 COCCNc1ccc2ncccc2n1 27a_100000209980_100000073381 [0,0,0,0,0,0|4,0,0]=4 397 B16R2.2441 COCCNc1ccc2nccnc2c1 27a_100000209980_100011219451 [0,0,0,0,0,0|4,0,0]=4 398 B16R2.2441 COCCNc1ccc2nccnc2c1 34a_100011219565_100011201679 [0,0,0,0,0,0|4,0,0]=4 399 B16R2.2441 COCCNc1cnc2ccccc2n1 27a_100000209980_100000756483 [0,0,0,0,0,0|4,0,0]=4 400 B16R2.2441 COCCNc1ncc2ccccc2n1 27a_100000209980_100000097389 [0,0,0,0,0,0|4,0,0]=4 401 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_100000185828_100011201679 [0,0,0,0,0,0|1,0,0]=1 402 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_200011219602_200000210301 [0,0,0,0,0,0|1,0,0]=1 403 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_100000185828_100000233755 [0,0,0,0,0,0|1,0,0]=1 404 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_200011219602_200000210301 [0,0,0,0,0,0|1,0,0]=1 405 B16R2.2441 COCCOc1ccc2cccnc2c1 34a_100011216045_100011201679 [0,0,0,0,0,0|2,0,0]=2 406 B16R2.2441 COCCOc1ccc2ccncc2c1 7a_100000752006_100000233755 [0,0,0,0,0,0|2,0,0]=2 407 B16R2.2441 COCCOc1ccc2cnccc2c1 34a_100000046372_100011201679 [0,0,0,0,0,0|2,0,0]=2 408 B16R2.2441 COCCOc1ccc2cnccc2c1 7a_100000046372_100000233755 [0,0,0,0,0,0|2,0,0]=2 409 B16R2.2441 COCCOc1ccc2ncccc2c1 34a_100011215586_100011201679 [0,0,0,0,0,0|2,0,0]=2 410 B16R2.2441 COCCOc1ccc2ncccc2c1 7a_100011215586_100000233755 [0,0,0,0,0,0|2,0,0]=2 411 B16R2.2441 COCCOc1ccc2nccnc2c1 34a_100000694412_100011201679 [0,0,0,0,0,0|3,0,0]=3 412 B16R2.2441 COCCOc1cnc2ccccc2c1 34a_100011934006_100011201679 [0,0,0,0,0,0|2,0,0]=2 413 B16R2.2441 COCCOc1cnc2ccccc2c1 7a_100011934006_100000233755 [0,0,0,0,0,0|2,0,0]=2 414 B16R2.2441 COCCSc1cc2ccccc2cn1 62a_100000233755_100000047361 [0,0,0,0,0,0|2,1,0]=3 415 B16R2.2441 COCCSc1cc2ccccc2cn1 62a_100009816522_100000233755 [0,0,0,0,0,0|2,1,0]=3 416 B16R2.2441 COCCSc1ccc2ccccc2c1 62a_100000233755_100000233703 [0,0,0,0,0,0|1,1,0]=2 417 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100000233755_100011291633 [0,0,0,0,0,0|2,1,0]=3 418 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100011291633_100000233755 [0,0,0,0,0,0|2,1,0]=3 419 B16R2.2441 COCCSc1ccc2cccnc2c1 62a_100000233755_100009816655 [0,0,0,0,0,0|2,1,0]=3 420 B16R2.2441 COCCSc1ccc2cccnc2n1 62a_100000075685_100000233755 [0,0,0,0,0,0|3,1,0]=4 421 B16R2.2441 COCCSc1ccc2cccnc2n1 62a_100000233755_100000075685 [0,0,0,0,0,0|3,1,0]=4 422 B16R2.2441 COCCSc1ccc2ccncc2c1 62a_100000233755_100000686496 [0,0,0,0,0,0|2,1,0]=3 423 B16R2.2441 COCCSc1ccc2ccncc2c1 62a_100000686496_100000233755 [0,0,0,0,0,0|2,1,0]=3 424 B16R2.2441 COCCSc1ccc2ccncc2n1 62a_100000233755_100000020162 [0,0,0,0,0,0|3,1,0]=4 425 B16R2.2441 COCCSc1ccc2cnccc2c1 62a_100000233755_100009816743 [0,0,0,0,0,0|2,1,0]=3 426 B16R2.2441 COCCSc1ccc2cnccc2c1 62a_100009816743_100000233755 [0,0,0,0,0,0|2,1,0]=3 427 B16R2.2441 COCCSc1ccc2cncnc2c1 62a_100000233755_100010185614 [0,0,0,0,0,0|3,1,0]=4 428 B16R2.2441 COCCSc1ccc2cncnc2c1 62a_100010185614_100000233755 [0,0,0,0,0,0|3,1,0]=4 429 B16R2.2441 COCCSc1ccc2cnncc2c1 62a_100000233755_100010198781 [0,0,0,0,0,0|3,1,0]=4 430 B16R2.2441 COCCSc1ccc2cnncc2c1 62a_100010198781_100000233755 [0,0,0,0,0,0|3,1,0]=4 431 B16R2.2441 COCCSc1ccc2ncccc2c1 62a_100000233755_100011215947 [0,0,0,0,0,0|2,1,0]=3 432 B16R2.2441 COCCSc1ccc2ncccc2c1 62a_100011215947_100000233755 [0,0,0,0,0,0|2,1,0]=3 433 B16R2.2441 COCCSc1ccc2ncccc2n1 62a_100000233755_100000073381 [0,0,0,0,0,0|3,1,0]=4 434 B16R2.2441 COCCSc1ccc2nccnc2c1 62a_100000233755_100011219451 [0,0,0,0,0,0|3,1,0]=4 435 B16R2.2441 COCCSc1ccc2nccnc2c1 62a_100011219451_100000233755 [0,0,0,0,0,0|3,1,0]=4 436 B16R2.2441 COCCSc1ccc2ncncc2c1 62a_100000233755_100009989443 [0,0,0,0,0,0|3,1,0]=4 437 B16R2.2441 COCCSc1ccc2ncncc2c1 62a_100009989443_100000233755 [0,0,0,0,0,0|3,1,0]=4 438 B16R2.2441 COCCSc1ccc2nnccc2c1 62a_100000233755_100010209549 [0,0,0,0,0,0|3,1,0]=4 439 B16R2.2441 COCCSc1ccc2nnccc2c1 62a_100010209549_100000233755 [0,0,0,0,0,0|3,1,0]=4 440 B16R2.2441 COCCSc1cnc2ccccc2c1 62a_100000233755_100000737414 [0,0,0,0,0,0|2,1,0]=3 441 B16R2.2441 COCCSc1cnc2ccccc2n1 62a_100000233755_100000756483 [0,0,0,0,0,0|3,1,0]=4 442 B16R2.2441 COCCSc1cnc2ccccc2n1 62a_100000756483_100000233755 [0,0,0,0,0,0|3,1,0]=4 443 B16R2.2441 COCCSc1cnc2cccnc2c1 62a_100000233755_100010246316 [0,0,0,0,0,0|3,1,0]=4 444 B16R2.2441 COCCSc1cnc2cccnc2c1 62a_100010246316_100000233755 [0,0,0,0,0,0|3,1,0]=4 445 B16R2.2441 COCCSc1ncc2ccccc2n1 62a_100000233755_100000097389 [0,0,0,0,0,0|3,1,0]=4 446 B16R2.2441 COCNCc1ccc2ccccc2c1 2230a_100000739491_100000766300 [0,0,0,0,0,0|3,0,0]=3 447 B16R2.2441 COCSCc1cc2ccccc2cn1 62a_100000766300_100009869231 [0,0,0,0,0,0|4,0,0]=4 448 B16R2.2441 COCSCc1cc2ccccc2cn1 62a_100009869231_100000766300 [0,0,0,0,0,0|4,0,0]=4 449 B16R2.2441 COCSCc1ccc2ccccc2c1 62a_100000766300_100011216711 [0,0,0,0,0,0|3,0,0]=3 450 B16R2.2441 COCSCc1ccc2ccccc2c1 62a_100011216711_100000766300 [0,0,0,0,0,0|3,0,0]=3 451 B16R2.2441 COCSCc1ccc2ccccc2n1 62a_100000737579_100000766300 [0,0,0,0,0,0|4,0,0]=4 452 B16R2.2441 COCSCc1ccc2ccccc2n1 62a_100000766300_100000737579 [0,0,0,0,0,0|4,0,0]=4 453 B16R2.2441 COCSCc1ccc2cnccc2c1 62a_100000766300_100020605334 [0,0,0,0,0,0|4,0,0]=4 454 B16R2.2441 COCSCc1ccc2cnccc2c1 62a_100020605334_100000766300 [0,0,0,0,0,0|4,0,0]=4 455 B16R2.2441 COCSCc1ccc2ncccc2c1 62a_100000703657_100000766300 [0,0,0,0,0,0|4,0,0]=4 456 B16R2.2441 COCSCc1ccc2ncccc2c1 62a_100000766300_100000703657 [0,0,0,0,0,0|4,0,0]=4 457 B16R2.2441 CSCCNc1ccc2ccccc2c1 34a_100000211940_100000212216 [0,0,0,0,0,0|2,0,0]=2 458 B16R2.2441 CSCCNc1ccc2ccccc2c1 7a_100000211940_100000212216 [0,0,0,0,0,0|2,0,0]=2 459 B16R2.2441 CSCCNc1ccc2ccccc2n1 27a_100020590264_100011291633 [0,0,0,0,0,0|3,0,0]=3 460 B16R2.2441 CSCCNc1ccc2cccnc2c1 34a_100102887122_100000212216 [0,0,0,0,0,0|3,0,0]=3 461 B16R2.2441 CSCCNc1ccc2cccnc2n1 27a_100020590264_100000075685 [0,0,0,0,0,0|4,0,0]=4 462 B16R2.2441 CSCCNc1ccc2ccncc2n1 27a_100020590264_100000020162 [0,0,0,0,0,0|4,0,0]=4 463 B16R2.2441 CSCCNc1ccc2cnccc2c1 34a_100000039641_100000212216 [0,0,0,0,0,0|3,0,0]=3 464 B16R2.2441 CSCCNc1ccc2cncnc2c1 27a_100020590264_100010185614 [0,0,0,0,0,0|4,0,0]=4 465 B16R2.2441 CSCCNc1ccc2ncccc2c1 34a_100011198106_100000212216 [0,0,0,0,0,0|3,0,0]=3 466 B16R2.2441 CSCCNc1ccc2ncccc2n1 27a_100020590264_100000073381 [0,0,0,0,0,0|4,0,0]=4 467 B16R2.2441 CSCCNc1ccc2nccnc2c1 27a_100020590264_100011219451 [0,0,0,0,0,0|4,0,0]=4 468 B16R2.2441 CSCCNc1ccc2nccnc2c1 34a_100011219565_100000212216 [0,0,0,0,0,0|4,0,0]=4 469 B16R2.2441 CSCCNc1cnc2ccccc2n1 27a_100020590264_100000756483 [0,0,0,0,0,0|4,0,0]=4 470 B16R2.2441 CSCCNc1ncc2ccccc2n1 27a_100020590264_100000097389 [0,0,0,0,0,0|4,0,0]=4 471 B16R2.2441 CSCCOc1ccc2ccccc2c1 34a_100000185828_100000212216 [0,0,0,0,0,0|1,0,0]=1 472 B16R2.2441 CSCCOc1ccc2ccccc2c1 7a_100000185828_100000212216 [0,0,0,0,0,0|1,0,0]=1 473 B16R2.2441 CSCCOc1ccc2cccnc2c1 34a_100011216045_100000212216 [0,0,0,0,0,0|2,0,0]=2 474 B16R2.2441 CSCCOc1ccc2ccncc2c1 7a_100000752006_100000212216 [0,0,0,0,0,0|2,0,0]=2 475 B16R2.2441 CSCCOc1ccc2cnccc2c1 34a_100000046372_100000212216 [0,0,0,0,0,0|2,0,0]=2 476 B16R2.2441 CSCCOc1ccc2cnccc2c1 7a_100000046372_100000212216 [0,0,0,0,0,0|2,0,0]=2 477 B16R2.2441 CSCCOc1ccc2ncccc2c1 34a_100011215586_100000212216 [0,0,0,0,0,0|2,0,0]=2 478 B16R2.2441 CSCCOc1ccc2ncccc2c1 7a_100011215586_100000212216 [0,0,0,0,0,0|2,0,0]=2 479 B16R2.2441 CSCCOc1ccc2nccnc2c1 34a_100000694412_100000212216 [0,0,0,0,0,0|3,0,0]=3 480 B16R2.2441 CSCCOc1cnc2ccccc2c1 34a_100011934006_100000212216 [0,0,0,0,0,0|2,0,0]=2 481 B16R2.2441 CSCCOc1cnc2ccccc2c1 7a_100011934006_100000212216 [0,0,0,0,0,0|2,0,0]=2 482 B16R2.2441 CSCCSc1cc2ccccc2cn1 62a_100000212216_100000047361 [0,0,0,0,0,0|2,1,0]=3 483 B16R2.2441 CSCCSc1cc2ccccc2cn1 62a_100009816522_100000751147 [0,0,0,0,0,0|2,1,0]=3 484 B16R2.2441 CSCCSc1ccc2ccccc2c1 62a_100000212216_100000233703 [0,0,0,0,0,0|1,1,0]=2 485 B16R2.2441 CSCCSc1ccc2ccccc2n1 62a_100000212216_100011291633 [0,0,0,0,0,0|2,1,0]=3 486 B16R2.2441 CSCCSc1ccc2ccccc2n1 62a_100011291633_100000751147 [0,0,0,0,0,0|2,1,0]=3 487 B16R2.2441 CSCCSc1ccc2cccnc2c1 62a_100000212216_100009816655 [0,0,0,0,0,0|2,1,0]=3 488 B16R2.2441 CSCCSc1ccc2cccnc2n1 62a_100000075685_100000751147 [0,0,0,0,0,0|3,1,0]=4 489 B16R2.2441 CSCCSc1ccc2cccnc2n1 62a_100000212216_100000075685 [0,0,0,0,0,0|3,1,0]=4 490 B16R2.2441 CSCCSc1ccc2ccncc2c1 62a_100000212216_100000686496 [0,0,0,0,0,0|2,1,0]=3 491 B16R2.2441 CSCCSc1ccc2ccncc2c1 62a_100000686496_100000751147 [0,0,0,0,0,0|2,1,0]=3 492 B16R2.2441 CSCCSc1ccc2ccncc2n1 62a_100000212216_100000020162 [0,0,0,0,0,0|3,1,0]=4 493 B16R2.2441 CSCCSc1ccc2cnccc2c1 62a_100000212216_100009816743 [0,0,0,0,0,0|2,1,0]=3 494 B16R2.2441 CSCCSc1ccc2cnccc2c1 62a_100009816743_100000751147 [0,0,0,0,0,0|2,1,0]=3 495 B16R2.2441 CSCCSc1ccc2cncnc2c1 62a_100000212216_100010185614 [0,0,0,0,0,0|3,1,0]=4 496 B16R2.2441 CSCCSc1ccc2cncnc2c1 62a_100010185614_100000751147 [0,0,0,0,0,0|3,1,0]=4 497 B16R2.2441 CSCCSc1ccc2cnncc2c1 62a_100000212216_100010198781 [0,0,0,0,0,0|3,1,0]=4 498 B16R2.2441 CSCCSc1ccc2cnncc2c1 62a_100010198781_100000751147 [0,0,0,0,0,0|3,1,0]=4 499 B16R2.2441 CSCCSc1ccc2ncccc2c1 62a_100000212216_100011215947 [0,0,0,0,0,0|2,1,0]=3 500 B16R2.2441 CSCCSc1ccc2ncccc2c1 62a_100011215947_100000751147 [0,0,0,0,0,0|2,1,0]=3 501 B16R2.2441 CSCCSc1ccc2ncccc2n1 62a_100000212216_100000073381 [0,0,0,0,0,0|3,1,0]=4 502 B16R2.2441 CSCCSc1ccc2nccnc2c1 62a_100000212216_100011219451 [0,0,0,0,0,0|3,1,0]=4 503 B16R2.2441 CSCCSc1ccc2nccnc2c1 62a_100011219451_100000751147 [0,0,0,0,0,0|3,1,0]=4 504 B16R2.2441 CSCCSc1ccc2ncncc2c1 62a_100000212216_100009989443 [0,0,0,0,0,0|3,1,0]=4 505 B16R2.2441 CSCCSc1ccc2ncncc2c1 62a_100009989443_100000751147 [0,0,0,0,0,0|3,1,0]=4 506 B16R2.2441 CSCCSc1ccc2nnccc2c1 62a_100000212216_100010209549 [0,0,0,0,0,0|3,1,0]=4 507 B16R2.2441 CSCCSc1ccc2nnccc2c1 62a_100010209549_100000751147 [0,0,0,0,0,0|3,1,0]=4 508 B16R2.2441 CSCCSc1cnc2ccccc2c1 62a_100000212216_100000737414 [0,0,0,0,0,0|2,1,0]=3 509 B16R2.2441 CSCCSc1cnc2ccccc2n1 62a_100000212216_100000756483 [0,0,0,0,0,0|3,1,0]=4 510 B16R2.2441 CSCCSc1cnc2ccccc2n1 62a_100000756483_100000751147 [0,0,0,0,0,0|3,1,0]=4 511 B16R2.2441 CSCCSc1cnc2cccnc2c1 62a_100000212216_100010246316 [0,0,0,0,0,0|3,1,0]=4 512 B16R2.2441 CSCCSc1cnc2cccnc2c1 62a_100010246316_100000751147 [0,0,0,0,0,0|3,1,0]=4 513 B16R2.2441 CSCCSc1ncc2ccccc2n1 62a_100000212216_100000097389 [0,0,0,0,0,0|3,1,0]=4 514 B16R2.2441 CSCNCc1ccc2ccccc2c1 2230a_100000739491_100011218213 [0,0,0,0,0,0|3,0,0]=3 515 B16R2.2441 CSCNCc1ccc2ccccc2c1 34a_100000739491_100011218213 [0,0,0,0,0,0|3,0,0]=3 516 B16R2.2441 CSCNCc1ccc2ncccc2c1 34a_100000238500_100011218213 [0,0,0,0,0,0|4,0,0]=4 517 B16R2.2441 CSCNCc1cnc2ccccc2c1 34a_100000742225_100011218213 [0,0,0,0,0,0|4,0,0]=4 518 B16R2.2441 CSCOCc1ccc2ccccc2c1 34a_100011215330_100011218213 [0,0,0,0,0,0|3,0,0]=3 519 B16R2.2441 CSCOCc1ccc2ncccc2c1 34a_100011315636_100011218213 [0,0,0,0,0,0|4,0,0]=4 520 B16R2.2441 CSCOCc1cnc2ccccc2c1 34a_100011258773_100011218213 [0,0,0,0,0,0|4,0,0]=4 521 B16R2.2441 CSCSCc1cc2ccccc2cn1 62a_100009869231_100011218213 [0,0,0,0,0,0|4,0,0]=4 522 B16R2.2441 CSCSCc1cc2ccccc2cn1 62a_100011218213_100009869231 [0,0,0,0,0,0|4,0,0]=4 523 B16R2.2441 CSCSCc1ccc2ccccc2c1 62a_100011216711_100011218213 [0,0,0,0,0,0|3,0,0]=3 524 B16R2.2441 CSCSCc1ccc2ccccc2c1 62a_100011218213_100011216711 [0,0,0,0,0,0|3,0,0]=3 525 B16R2.2441 CSCSCc1ccc2ccccc2n1 62a_100000737579_100011218213 [0,0,0,0,0,0|4,0,0]=4 526 B16R2.2441 CSCSCc1ccc2ccccc2n1 62a_100011218213_100000737579 [0,0,0,0,0,0|4,0,0]=4 527 B16R2.2441 CSCSCc1ccc2cnccc2c1 62a_100011218213_100020605334 [0,0,0,0,0,0|4,0,0]=4 528 B16R2.2441 CSCSCc1ccc2cnccc2c1 62a_100020605334_100011218213 [0,0,0,0,0,0|4,0,0]=4 529 B16R2.2441 CSCSCc1ccc2ncccc2c1 62a_100000703657_100011218213 [0,0,0,0,0,0|4,0,0]=4 530 B16R2.2441 CSCSCc1ccc2ncccc2c1 62a_100011218213_100000703657 [0,0,0,0,0,0|4,0,0]=4 531 B16R2.2441 FCCCNc1ccc2ccccc2c1 34a_100000211940_100011934791 [0,0,0,0,0,0|2,0,0]=2 532 B16R2.2441 FCCCNc1ccc2ccccc2c1 7a_100000211940_100011934791 [0,0,0,0,0,0|2,0,0]=2 533 B16R2.2441 FCCCNc1ccc2ccccc2n1 27a_100015189416_100011291633 [0,0,0,0,0,0|3,0,0]=3 534 B16R2.2441 FCCCNc1ccc2cccnc2c1 34a_100102887122_100011934791 [0,0,0,0,0,0|3,0,0]=3 535 B16R2.2441 FCCCNc1ccc2cccnc2n1 27a_100015189416_100000075685 [0,0,0,0,0,0|4,0,0]=4 536 B16R2.2441 FCCCNc1ccc2ccncc2n1 27a_100015189416_100000020162 [0,0,0,0,0,0|4,0,0]=4 537 B16R2.2441 FCCCNc1ccc2cnccc2c1 34a_100000039641_100011934791 [0,0,0,0,0,0|3,0,0]=3 538 B16R2.2441 FCCCNc1ccc2cncnc2c1 27a_100015189416_100010185614 [0,0,0,0,0,0|4,0,0]=4 539 B16R2.2441 FCCCNc1ccc2ncccc2c1 34a_100011198106_100011934791 [0,0,0,0,0,0|3,0,0]=3 540 B16R2.2441 FCCCNc1ccc2ncccc2n1 27a_100015189416_100000073381 [0,0,0,0,0,0|4,0,0]=4 541 B16R2.2441 FCCCNc1ccc2nccnc2c1 27a_100015189416_100011219451 [0,0,0,0,0,0|4,0,0]=4 542 B16R2.2441 FCCCNc1ccc2nccnc2c1 34a_100011219565_100011934791 [0,0,0,0,0,0|4,0,0]=4 543 B16R2.2441 FCCCNc1cnc2ccccc2n1 27a_100015189416_100000756483 [0,0,0,0,0,0|4,0,0]=4 544 B16R2.2441 FCCCNc1ncc2ccccc2n1 27a_100015189416_100000097389 [0,0,0,0,0,0|4,0,0]=4 545 B16R2.2441 FCCCOc1ccc2ccccc2c1 34a_100000185828_100011934791 [0,0,0,0,0,0|1,0,0]=1 546 B16R2.2441 FCCCOc1ccc2ccccc2c1 7a_100000185828_100011934791 [0,0,0,0,0,0|1,0,0]=1 547 B16R2.2441 FCCCOc1ccc2cccnc2c1 34a_100011216045_100011934791 [0,0,0,0,0,0|2,0,0]=2 548 B16R2.2441 FCCCOc1ccc2ccncc2c1 7a_100000752006_100011934791 [0,0,0,0,0,0|2,0,0]=2 549 B16R2.2441 FCCCOc1ccc2cnccc2c1 34a_100000046372_100011934791 [0,0,0,0,0,0|2,0,0]=2 550 B16R2.2441 FCCCOc1ccc2cnccc2c1 7a_100000046372_100011934791 [0,0,0,0,0,0|2,0,0]=2 551 B16R2.2441 FCCCOc1ccc2ncccc2c1 34a_100011215586_100011934791 [0,0,0,0,0,0|2,0,0]=2 552 B16R2.2441 FCCCOc1ccc2ncccc2c1 7a_100011215586_100011934791 [0,0,0,0,0,0|2,0,0]=2 553 B16R2.2441 FCCCOc1ccc2nccnc2c1 34a_100000694412_100011934791 [0,0,0,0,0,0|3,0,0]=3 554 B16R2.2441 FCCCOc1cnc2ccccc2c1 34a_100011934006_100011934791 [0,0,0,0,0,0|2,0,0]=2 555 B16R2.2441 FCCCOc1cnc2ccccc2c1 7a_100011934006_100011934791 [0,0,0,0,0,0|2,0,0]=2 556 B16R2.2441 FCCCSc1cc2ccccc2cn1 62a_100009816522_100011934791 [0,0,0,0,0,0|2,1,0]=3 557 B16R2.2441 FCCCSc1cc2ccccc2cn1 62a_100011934791_100000047361 [0,0,0,0,0,0|2,1,0]=3 558 B16R2.2441 FCCCSc1ccc2ccccc2c1 62a_100011934791_100000233703 [0,0,0,0,0,0|1,1,0]=2 559 B16R2.2441 FCCCSc1ccc2ccccc2n1 62a_100011291633_100011934791 [0,0,0,0,0,0|2,1,0]=3 560 B16R2.2441 FCCCSc1ccc2ccccc2n1 62a_100011934791_100011291633 [0,0,0,0,0,0|2,1,0]=3 561 B16R2.2441 FCCCSc1ccc2cccnc2c1 62a_100011934791_100009816655 [0,0,0,0,0,0|2,1,0]=3 562 B16R2.2441 FCCCSc1ccc2cccnc2n1 62a_100000075685_100011934791 [0,0,0,0,0,0|3,1,0]=4 563 B16R2.2441 FCCCSc1ccc2cccnc2n1 62a_100011934791_100000075685 [0,0,0,0,0,0|3,1,0]=4 564 B16R2.2441 FCCCSc1ccc2ccncc2c1 62a_100000686496_100011934791 [0,0,0,0,0,0|2,1,0]=3 565 B16R2.2441 FCCCSc1ccc2ccncc2c1 62a_100011934791_100000686496 [0,0,0,0,0,0|2,1,0]=3 566 B16R2.2441 FCCCSc1ccc2ccncc2n1 62a_100011934791_100000020162 [0,0,0,0,0,0|3,1,0]=4 567 B16R2.2441 FCCCSc1ccc2cnccc2c1 62a_100009816743_100011934791 [0,0,0,0,0,0|2,1,0]=3 568 B16R2.2441 FCCCSc1ccc2cnccc2c1 62a_100011934791_100009816743 [0,0,0,0,0,0|2,1,0]=3 569 B16R2.2441 FCCCSc1ccc2cncnc2c1 62a_100010185614_100011934791 [0,0,0,0,0,0|3,1,0]=4 570 B16R2.2441 FCCCSc1ccc2cncnc2c1 62a_100011934791_100010185614 [0,0,0,0,0,0|3,1,0]=4 571 B16R2.2441 FCCCSc1ccc2cnncc2c1 62a_100010198781_100011934791 [0,0,0,0,0,0|3,1,0]=4 572 B16R2.2441 FCCCSc1ccc2cnncc2c1 62a_100011934791_100010198781 [0,0,0,0,0,0|3,1,0]=4 573 B16R2.2441 FCCCSc1ccc2ncccc2c1 62a_100011215947_100011934791 [0,0,0,0,0,0|2,1,0]=3 574 B16R2.2441 FCCCSc1ccc2ncccc2c1 62a_100011934791_100011215947 [0,0,0,0,0,0|2,1,0]=3 575 B16R2.2441 FCCCSc1ccc2ncccc2n1 62a_100011934791_100000073381 [0,0,0,0,0,0|3,1,0]=4 576 B16R2.2441 FCCCSc1ccc2nccnc2c1 62a_100011219451_100011934791 [0,0,0,0,0,0|3,1,0]=4 577 B16R2.2441 FCCCSc1ccc2nccnc2c1 62a_100011934791_100011219451 [0,0,0,0,0,0|3,1,0]=4 578 B16R2.2441 FCCCSc1ccc2ncncc2c1 62a_100009989443_100011934791 [0,0,0,0,0,0|3,1,0]=4 579 B16R2.2441 FCCCSc1ccc2ncncc2c1 62a_100011934791_100009989443 [0,0,0,0,0,0|3,1,0]=4 580 B16R2.2441 FCCCSc1ccc2nnccc2c1 62a_100010209549_100011934791 [0,0,0,0,0,0|3,1,0]=4 581 B16R2.2441 FCCCSc1ccc2nnccc2c1 62a_100011934791_100010209549 [0,0,0,0,0,0|3,1,0]=4 582 B16R2.2441 FCCCSc1cnc2ccccc2c1 62a_100011934791_100000737414 [0,0,0,0,0,0|2,1,0]=3 583 B16R2.2441 FCCCSc1cnc2ccccc2n1 62a_100000756483_100011934791 [0,0,0,0,0,0|3,1,0]=4 584 B16R2.2441 FCCCSc1cnc2ccccc2n1 62a_100011934791_100000756483 [0,0,0,0,0,0|3,1,0]=4 585 B16R2.2441 FCCCSc1cnc2cccnc2c1 62a_100010246316_100011934791 [0,0,0,0,0,0|3,1,0]=4 586 B16R2.2441 FCCCSc1cnc2cccnc2c1 62a_100011934791_100010246316 [0,0,0,0,0,0|3,1,0]=4 587 B16R2.2441 FCCCSc1ncc2ccccc2n1 62a_100011934791_100000097389 [0,0,0,0,0,0|3,1,0]=4 588 B16R2.2441 FCCNCc1cc2ccccc2cn1 34a_100000724931_100009869231 [0,0,0,0,0,0|4,0,0]=4 589 B16R2.2441 FCCNCc1ccc2ccccc2c1 2230a_100000739491_100011217306 [0,0,0,0,0,0|3,0,0]=3 590 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000724931_100011216711 [0,0,0,0,0,0|3,0,0]=3 591 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000739491_100011217306 [0,0,0,0,0,0|3,0,0]=3 592 B16R2.2441 FCCNCc1ccc2ccccc2n1 34a_100000724931_100000737579 [0,0,0,0,0,0|4,0,0]=4 593 B16R2.2441 FCCNCc1ccc2cnccc2c1 34a_100000724931_100020605334 [0,0,0,0,0,0|4,0,0]=4 594 B16R2.2441 FCCNCc1ccc2ncccc2c1 34a_100000238500_100011217306 [0,0,0,0,0,0|4,0,0]=4 595 B16R2.2441 FCCNCc1ccc2ncccc2c1 34a_100000724931_100000703657 [0,0,0,0,0,0|4,0,0]=4 596 B16R2.2441 FCCNCc1cnc2ccccc2c1 34a_100000742225_100011217306 [0,0,0,0,0,0|4,0,0]=4 597 B16R2.2441 FCCOCc1ccc2ccccc2c1 34a_100011215330_100011217306 [0,0,0,0,0,0|3,0,0]=3 598 B16R2.2441 FCCOCc1ccc2ccccc2c1 7a_100011215330_100011217306 [0,0,0,0,0,0|3,0,0]=3 599 B16R2.2441 FCCOCc1ccc2ncccc2c1 34a_100011315636_100011217306 [0,0,0,0,0,0|4,0,0]=4 600 B16R2.2441 FCCOCc1cnc2ccccc2c1 34a_100011258773_100011217306 [0,0,0,0,0,0|4,0,0]=4 601 B16R2.2441 FCCSCc1cc2ccccc2cn1 62a_100009869231_100011217306 [0,0,0,0,0,0|4,0,0]=4 602 B16R2.2441 FCCSCc1cc2ccccc2cn1 62a_100011217306_100009869231 [0,0,0,0,0,0|4,0,0]=4 603 B16R2.2441 FCCSCc1ccc2ccccc2c1 62a_100011216711_100011217306 [0,0,0,0,0,0|3,0,0]=3 604 B16R2.2441 FCCSCc1ccc2ccccc2c1 62a_100011217306_100011216711 [0,0,0,0,0,0|3,0,0]=3 605 B16R2.2441 FCCSCc1ccc2ccccc2n1 62a_100000737579_100011217306 [0,0,0,0,0,0|4,0,0]=4 606 B16R2.2441 FCCSCc1ccc2ccccc2n1 62a_100011217306_100000737579 [0,0,0,0,0,0|4,0,0]=4 607 B16R2.2441 FCCSCc1ccc2cnccc2c1 62a_100011217306_100020605334 [0,0,0,0,0,0|4,0,0]=4 608 B16R2.2441 FCCSCc1ccc2cnccc2c1 62a_100020605334_100011217306 [0,0,0,0,0,0|4,0,0]=4 609 B16R2.2441 FCCSCc1ccc2ncccc2c1 62a_100000703657_100011217306 [0,0,0,0,0,0|4,0,0]=4 610 B16R2.2441 FCCSCc1ccc2ncccc2c1 62a_100011217306_100000703657 [0,0,0,0,0,0|4,0,0]=4 611 B16R2.2441 FCNCCc1ccc2ccccc2c1 34a_100000746582_100015361967 [0,0,0,0,0,0|3,0,0]=3 612 B16R2.2441 FCOCCc1ccc2ccccc2c1 34a_100000755654_100015361967 [0,0,0,0,0,0|3,0,0]=3 613 B16R2.2441 FCOCCc1ccc2ccccc2c1 7a_100000755654_100015361967 [0,0,0,0,0,0|3,0,0]=3 614 B16R2.2441 FCOCCc1ccc2ccccc2n1 34a_100011996444_100015361967 [0,0,0,0,0,0|4,0,0]=4 615 B16R2.2441 N#CCCNc1ccc2ccccc2c1 7a_100000211940_100000184422 [0,0,0,0,0,0|2,0,1]=3 616 B16R2.2441 N#CCCNc1ccc2ccccc2n1 27a_100000720768_100011291633 [0,0,0,0,0,0|3,0,1]=4 617 B16R2.2441 N#CCCOc1ccc2ccccc2c1 7a_100000185828_100000184422 [0,0,0,0,0,0|1,0,1]=2 618 B16R2.2441 N#CCCOc1ccc2ccncc2c1 7a_100000752006_100000184422 [0,0,0,0,0,0|2,0,1]=3 619 B16R2.2441 N#CCCOc1ccc2cnccc2c1 7a_100000046372_100000184422 [0,0,0,0,0,0|2,0,1]=3 620 B16R2.2441 N#CCCOc1ccc2ncccc2c1 7a_100011215586_100000184422 [0,0,0,0,0,0|2,0,1]=3 621 B16R2.2441 N#CCCOc1cnc2ccccc2c1 7a_100011934006_100000184422 [0,0,0,0,0,0|2,0,1]=3 622 B16R2.2441 N#CCCSc1cc2ccccc2cn1 62a_100009816522_100011215226 [0,0,0,0,0,0|2,1,1]=4 623 B16R2.2441 N#CCCSc1cc2ccccc2cn1 62a_100011215226_100000047361 [0,0,0,0,0,0|2,1,1]=4 624 B16R2.2441 N#CCCSc1ccc2ccccc2c1 62a_100011215226_100000233703 [0,0,0,0,0,0|1,1,1]=3 625 B16R2.2441 N#CCCSc1ccc2ccccc2n1 62a_100011215226_100011291633 [0,0,0,0,0,0|2,1,1]=4 626 B16R2.2441 N#CCCSc1ccc2ccccc2n1 62a_100011291633_100011215226 [0,0,0,0,0,0|2,1,1]=4 627 B16R2.2441 N#CCCSc1ccc2cccnc2c1 62a_100011215226_100009816655 [0,0,0,0,0,0|2,1,1]=4 628 B16R2.2441 N#CCCSc1ccc2ccncc2c1 62a_100000686496_100011215226 [0,0,0,0,0,0|2,1,1]=4 629 B16R2.2441 N#CCCSc1ccc2ccncc2c1 62a_100011215226_100000686496 [0,0,0,0,0,0|2,1,1]=4 630 B16R2.2441 N#CCCSc1ccc2cnccc2c1 62a_100009816743_100011215226 [0,0,0,0,0,0|2,1,1]=4 631 B16R2.2441 N#CCCSc1ccc2cnccc2c1 62a_100011215226_100009816743 [0,0,0,0,0,0|2,1,1]=4 632 B16R2.2441 N#CCCSc1ccc2ncccc2c1 62a_100011215226_100011215947 [0,0,0,0,0,0|2,1,1]=4 633 B16R2.2441 N#CCCSc1ccc2ncccc2c1 62a_100011215947_100011215226 [0,0,0,0,0,0|2,1,1]=4 634 B16R2.2441 N#CCCSc1cnc2ccccc2c1 62a_100011215226_100000737414 [0,0,0,0,0,0|2,1,1]=4 635 B16R2.2441 N#CCNCc1ccc2ccccc2c1 2230a_100000739491_100011215382 [0,0,0,0,0,0|3,0,1]=4 636 B16R2.2441 N#CCOCc1ccc2ccccc2c1 7a_100011215330_100011215382 [0,0,0,0,0,0|3,0,1]=4 637 B16R2.2441 N#CCSCc1ccc2ccccc2c1 62a_100011215382_100011216711 [0,0,0,0,0,0|3,0,1]=4 638 B16R2.2441 N#CCSCc1ccc2ccccc2c1 62a_100011216711_100011215382 [0,0,0,0,0,0|3,0,1]=4 639 B16R2.2441 N#CSCSc1ccc2ccccc2c1 62a_100000211825_100000233703 [0,0,0,0,0,0|2,1,1]=4 640 B16R2.2441 NCCOCc1cc2ccccc2cn1 34a_100000210304_100009869231 [0,0,0,0,0,0|4,0,0]=4 641 B16R2.2441 NCCOCc1ccc2ccccc2c1 34a_100000210304_100011216711 [0,0,0,0,0,0|3,0,0]=3 642 B16R2.2441 NCCOCc1ccc2ccccc2n1 34a_100000210304_100000737579 [0,0,0,0,0,0|4,0,0]=4 643 B16R2.2441 NCCOCc1ccc2cnccc2c1 34a_100000210304_100020605334 [0,0,0,0,0,0|4,0,0]=4 644 B16R2.2441 NCCOCc1ccc2ncccc2c1 34a_100000210304_100000703657 [0,0,0,0,0,0|4,0,0]=4 645 B16R2.2441 O=CCNCc1ccc2ccccc2c1 2230a_100000739491_200015260668 [0,0,0,0,0,0|3,0,1]=4 646 B16R2.2441 O=CCNCc1ccc2ccccc2c1 34a_100000739491_200009817547 [0,0,0,0,0,0|3,0,1]=4 647 B16R2.2441 O=CCOCc1ccc2ccccc2c1 34a_100011215330_200009817547 [0,0,0,0,0,0|3,0,1]=4 648 B16R2.2441 O=CCOCc1ccc2ccccc2c1 7a_100011215330_200015260668 [0,0,0,0,0,0|3,0,1]=4 649 B16R2.2441 O=CCSCc1ccc2ccccc2c1 62a_100011216711_200015260668 [0,0,0,0,0,0|3,0,1]=4 650 B16R2.2441 O=CCSCc1ccc2ccccc2c1 62a_200015260668_100011216711 [0,0,0,0,0,0|3,0,1]=4 651 B16R2.2441 OCCCNc1ccc2ccccc2c1 34a_100000211940_100000230001 [0,0,0,0,0,0|2,0,0]=2 652 B16R2.2441 OCCCNc1ccc2ccccc2c1 7a_100000211940_100011215043 [0,0,0,0,0,0|2,0,0]=2 653 B16R2.2441 OCCCNc1ccc2ccccc2n1 27a_100000182051_100011291633 [0,0,0,0,0,0|3,0,0]=3 654 B16R2.2441 OCCCNc1ccc2cccnc2c1 34a_100102887122_100000230001 [0,0,0,0,0,0|3,0,0]=3 655 B16R2.2441 OCCCNc1ccc2cccnc2n1 27a_100000182051_100000075685 [0,0,0,0,0,0|4,0,0]=4 656 B16R2.2441 OCCCNc1ccc2ccncc2n1 27a_100000182051_100000020162 [0,0,0,0,0,0|4,0,0]=4 657 B16R2.2441 OCCCNc1ccc2cnccc2c1 34a_100000039641_100000230001 [0,0,0,0,0,0|3,0,0]=3 658 B16R2.2441 OCCCNc1ccc2cncnc2c1 27a_100000182051_100010185614 [0,0,0,0,0,0|4,0,0]=4 659 B16R2.2441 OCCCNc1ccc2ncccc2c1 34a_100011198106_100000230001 [0,0,0,0,0,0|3,0,0]=3 660 B16R2.2441 OCCCNc1ccc2ncccc2n1 27a_100000182051_100000073381 [0,0,0,0,0,0|4,0,0]=4 661 B16R2.2441 OCCCNc1ccc2nccnc2c1 27a_100000182051_100011219451 [0,0,0,0,0,0|4,0,0]=4 662 B16R2.2441 OCCCNc1ccc2nccnc2c1 34a_100011219565_100000230001 [0,0,0,0,0,0|4,0,0]=4 663 B16R2.2441 OCCCNc1cnc2ccccc2n1 27a_100000182051_100000756483 [0,0,0,0,0,0|4,0,0]=4 664 B16R2.2441 OCCCNc1ncc2ccccc2n1 27a_100000182051_100000097389 [0,0,0,0,0,0|4,0,0]=4 665 B16R2.2441 OCCCOc1ccc2ccccc2c1 34a_100000185828_100000230001 [0,0,0,0,0,0|1,0,0]=1 666 B16R2.2441 OCCCOc1ccc2ccccc2c1 7a_100000185828_100011215043 [0,0,0,0,0,0|1,0,0]=1 667 B16R2.2441 OCCCOc1ccc2cccnc2c1 34a_100011216045_100000230001 [0,0,0,0,0,0|2,0,0]=2 668 B16R2.2441 OCCCOc1ccc2ccncc2c1 7a_100000752006_100011215043 [0,0,0,0,0,0|2,0,0]=2 669 B16R2.2441 OCCCOc1ccc2cnccc2c1 34a_100000046372_100000230001 [0,0,0,0,0,0|2,0,0]=2 670 B16R2.2441 OCCCOc1ccc2cnccc2c1 7a_100000046372_100011215043 [0,0,0,0,0,0|2,0,0]=2 671 B16R2.2441 OCCCOc1ccc2ncccc2c1 34a_100011215586_100000230001 [0,0,0,0,0,0|2,0,0]=2 672 B16R2.2441 OCCCOc1ccc2ncccc2c1 7a_100011215586_100011215043 [0,0,0,0,0,0|2,0,0]=2 673 B16R2.2441 OCCCOc1ccc2nccnc2c1 34a_100000694412_100000230001 [0,0,0,0,0,0|3,0,0]=3 674 B16R2.2441 OCCCOc1cnc2ccccc2c1 34a_100011934006_100000230001 [0,0,0,0,0,0|2,0,0]=2 675 B16R2.2441 OCCCOc1cnc2ccccc2c1 7a_100011934006_100011215043 [0,0,0,0,0,0|2,0,0]=2 676 B16R2.2441 OCCCSc1cc2ccccc2cn1 62a_100009816522_100011215043 [0,0,0,0,0,0|2,1,0]=3 677 B16R2.2441 OCCCSc1cc2ccccc2cn1 62a_100011215043_100000047361 [0,0,0,0,0,0|2,1,0]=3 678 B16R2.2441 OCCCSc1ccc2ccccc2c1 62a_100011215043_100000233703 [0,0,0,0,0,0|1,1,0]=2 679 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011215043_100011291633 [0,0,0,0,0,0|2,1,0]=3 680 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011291633_100011215043 [0,0,0,0,0,0|2,1,0]=3 681 B16R2.2441 OCCCSc1ccc2cccnc2c1 62a_100011215043_100009816655 [0,0,0,0,0,0|2,1,0]=3 682 B16R2.2441 OCCCSc1ccc2cccnc2n1 62a_100000075685_100011215043 [0,0,0,0,0,0|3,1,0]=4 683 B16R2.2441 OCCCSc1ccc2cccnc2n1 62a_100011215043_100000075685 [0,0,0,0,0,0|3,1,0]=4 684 B16R2.2441 OCCCSc1ccc2ccncc2c1 62a_100000686496_100011215043 [0,0,0,0,0,0|2,1,0]=3 685 B16R2.2441 OCCCSc1ccc2ccncc2c1 62a_100011215043_100000686496 [0,0,0,0,0,0|2,1,0]=3 686 B16R2.2441 OCCCSc1ccc2ccncc2n1 62a_100011215043_100000020162 [0,0,0,0,0,0|3,1,0]=4 687 B16R2.2441 OCCCSc1ccc2cnccc2c1 62a_100009816743_100011215043 [0,0,0,0,0,0|2,1,0]=3 688 B16R2.2441 OCCCSc1ccc2cnccc2c1 62a_100011215043_100009816743 [0,0,0,0,0,0|2,1,0]=3 689 B16R2.2441 OCCCSc1ccc2cncnc2c1 62a_100010185614_100011215043 [0,0,0,0,0,0|3,1,0]=4 690 B16R2.2441 OCCCSc1ccc2cncnc2c1 62a_100011215043_100010185614 [0,0,0,0,0,0|3,1,0]=4 691 B16R2.2441 OCCCSc1ccc2cnncc2c1 62a_100010198781_100011215043 [0,0,0,0,0,0|3,1,0]=4 692 B16R2.2441 OCCCSc1ccc2cnncc2c1 62a_100011215043_100010198781 [0,0,0,0,0,0|3,1,0]=4 693 B16R2.2441 OCCCSc1ccc2ncccc2c1 62a_100011215043_100011215947 [0,0,0,0,0,0|2,1,0]=3 694 B16R2.2441 OCCCSc1ccc2ncccc2c1 62a_100011215947_100011215043 [0,0,0,0,0,0|2,1,0]=3 695 B16R2.2441 OCCCSc1ccc2ncccc2n1 62a_100011215043_100000073381 [0,0,0,0,0,0|3,1,0]=4 696 B16R2.2441 OCCCSc1ccc2nccnc2c1 62a_100011215043_100011219451 [0,0,0,0,0,0|3,1,0]=4 697 B16R2.2441 OCCCSc1ccc2nccnc2c1 62a_100011219451_100011215043 [0,0,0,0,0,0|3,1,0]=4 698 B16R2.2441 OCCCSc1ccc2ncncc2c1 62a_100009989443_100011215043 [0,0,0,0,0,0|3,1,0]=4 699 B16R2.2441 OCCCSc1ccc2ncncc2c1 62a_100011215043_100009989443 [0,0,0,0,0,0|3,1,0]=4 700 B16R2.2441 OCCCSc1ccc2nnccc2c1 62a_100010209549_100011215043 [0,0,0,0,0,0|3,1,0]=4 701 B16R2.2441 OCCCSc1ccc2nnccc2c1 62a_100011215043_100010209549 [0,0,0,0,0,0|3,1,0]=4 702 B16R2.2441 OCCCSc1cnc2ccccc2c1 62a_100011215043_100000737414 [0,0,0,0,0,0|2,1,0]=3 703 B16R2.2441 OCCCSc1cnc2ccccc2n1 62a_100000756483_100011215043 [0,0,0,0,0,0|3,1,0]=4 704 B16R2.2441 OCCCSc1cnc2ccccc2n1 62a_100011215043_100000756483 [0,0,0,0,0,0|3,1,0]=4 705 B16R2.2441 OCCCSc1cnc2cccnc2c1 62a_100010246316_100011215043 [0,0,0,0,0,0|3,1,0]=4 706 B16R2.2441 OCCCSc1cnc2cccnc2c1 62a_100011215043_100010246316 [0,0,0,0,0,0|3,1,0]=4 707 B16R2.2441 OCCCSc1ncc2ccccc2n1 62a_100011215043_100000097389 [0,0,0,0,0,0|3,1,0]=4 708 B16R2.2441 OCCNCc1cc2ccccc2cn1 207a_100000210304_100000059776 [0,0,0,0,0,0|4,0,0]=4 709 B16R2.2441 OCCNCc1cc2ccccc2cn1 2230a_100016997473_100009869231 [0,0,0,0,0,0|4,0,0]=4 710 B16R2.2441 OCCNCc1cc2ccccc2cn1 270004a_100000210304_100000059776 [0,0,0,0,0,0|4,0,0]=4 711 B16R2.2441 OCCNCc1cc2ccccc2cn1 34a_100016990907_100009869231 [0,0,0,0,0,0|4,0,0]=4 712 B16R2.2441 OCCNCc1ccc2ccccc2c1 207a_100000210304_100000211584 [0,0,0,0,0,0|3,0,0]=3 713 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100000739491_100000211926 [0,0,0,0,0,0|3,0,0]=3 714 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100016997473_100011216711 [0,0,0,0,0,0|3,0,0]=3 715 B16R2.2441 OCCNCc1ccc2ccccc2c1 270004a_100000210304_100000211584 [0,0,0,0,0,0|3,0,0]=3 716 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100000739491_100000211926 [0,0,0,0,0,0|3,0,0]=3 717 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100016990907_100011216711 [0,0,0,0,0,0|3,0,0]=3 718 B16R2.2441 OCCNCc1ccc2ccccc2n1 207a_100000210304_100000759686 [0,0,0,0,0,0|4,0,0]=4 719 B16R2.2441 OCCNCc1ccc2ccccc2n1 2230a_100016997473_100000737579 [0,0,0,0,0,0|4,0,0]=4 720 B16R2.2441 OCCNCc1ccc2ccccc2n1 270004a_100000210304_100000759686 [0,0,0,0,0,0|4,0,0]=4 721 B16R2.2441 OCCNCc1ccc2ccccc2n1 34a_100016990907_100000737579 [0,0,0,0,0,0|4,0,0]=4 722 B16R2.2441 OCCNCc1ccc2cccnc2c1 207a_100000210304_100011784159 [0,0,0,0,0,0|4,0,0]=4 723 B16R2.2441 OCCNCc1ccc2cccnc2c1 270004a_100000210304_100011784159 [0,0,0,0,0,0|4,0,0]=4 724 B16R2.2441 OCCNCc1ccc2cnccc2c1 207a_100000210304_100000068276 [0,0,0,0,0,0|4,0,0]=4 725 B16R2.2441 OCCNCc1ccc2cnccc2c1 2230a_100016997473_100020605334 [0,0,0,0,0,0|4,0,0]=4 726 B16R2.2441 OCCNCc1ccc2cnccc2c1 270004a_100000210304_100000068276 [0,0,0,0,0,0|4,0,0]=4 727 B16R2.2441 OCCNCc1ccc2cnccc2c1 34a_100016990907_100020605334 [0,0,0,0,0,0|4,0,0]=4 728 B16R2.2441 OCCNCc1ccc2ncccc2c1 207a_100000210304_100000211315 [0,0,0,0,0,0|4,0,0]=4 729 B16R2.2441 OCCNCc1ccc2ncccc2c1 2230a_100016997473_100000703657 [0,0,0,0,0,0|4,0,0]=4 730 B16R2.2441 OCCNCc1ccc2ncccc2c1 270004a_100000210304_100000211315 [0,0,0,0,0,0|4,0,0]=4 731 B16R2.2441 OCCNCc1ccc2ncccc2c1 34a_100000238500_100000211926 [0,0,0,0,0,0|4,0,0]=4 732 B16R2.2441 OCCNCc1ccc2ncccc2c1 34a_100016990907_100000703657 [0,0,0,0,0,0|4,0,0]=4 733 B16R2.2441 OCCNCc1cnc2ccccc2c1 207a_100000210304_100000750898 [0,0,0,0,0,0|4,0,0]=4 734 B16R2.2441 OCCNCc1cnc2ccccc2c1 270004a_100000210304_100000750898 [0,0,0,0,0,0|4,0,0]=4 735 B16R2.2441 OCCNCc1cnc2ccccc2c1 34a_100000742225_100000211926 [0,0,0,0,0,0|4,0,0]=4 736 B16R2.2441 OCCOCc1ccc2ccccc2c1 34a_100011215330_100000211926 [0,0,0,0,0,0|3,0,0]=3 737 B16R2.2441 OCCOCc1ccc2ccccc2c1 7a_100011215330_100000211926 [0,0,0,0,0,0|3,0,0]=3 738 B16R2.2441 OCCOCc1ccc2ncccc2c1 34a_100011315636_100000211926 [0,0,0,0,0,0|4,0,0]=4 739 B16R2.2441 OCCOCc1cnc2ccccc2c1 34a_100011258773_100000211926 [0,0,0,0,0,0|4,0,0]=4 740 B16R2.2441 OCCSCc1cc2ccccc2cn1 62a_100000211926_100009869231 [0,0,0,0,0,0|4,0,0]=4 741 B16R2.2441 OCCSCc1cc2ccccc2cn1 62a_100009869231_100000211926 [0,0,0,0,0,0|4,0,0]=4 742 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100000211926_100011216711 [0,0,0,0,0,0|3,0,0]=3 743 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100011216711_100000211926 [0,0,0,0,0,0|3,0,0]=3 744 B16R2.2441 OCCSCc1ccc2ccccc2n1 62a_100000211926_100000737579 [0,0,0,0,0,0|4,0,0]=4 745 B16R2.2441 OCCSCc1ccc2ccccc2n1 62a_100000737579_100000211926 [0,0,0,0,0,0|4,0,0]=4 746 B16R2.2441 OCCSCc1ccc2cnccc2c1 62a_100000211926_100020605334 [0,0,0,0,0,0|4,0,0]=4 747 B16R2.2441 OCCSCc1ccc2cnccc2c1 62a_100020605334_100000211926 [0,0,0,0,0,0|4,0,0]=4 748 B16R2.2441 OCCSCc1ccc2ncccc2c1 62a_100000211926_100000703657 [0,0,0,0,0,0|4,0,0]=4 749 B16R2.2441 OCCSCc1ccc2ncccc2c1 62a_100000703657_100000211926 [0,0,0,0,0,0|4,0,0]=4 750 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 34a_200011219602_200025704644 [0,0,0,0,0,0|1,0,0]=1 751 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 7a_200011219602_200025704644 [0,0,0,0,0,0|1,0,0]=1 752 B15R2.352 C#CCNc1ccc2ccccc2c1 34a_100000211940_100000184674 [1,0,0,0,0,0|1,0,2]=4 753 B15R2.352 C#CCNc1ccc2ccccc2c1 7a_100000211940_100000038162 [1,0,0,0,0,0|1,0,2]=4 754 B15R2.352 C#CCOc1ccc2ccccc2c1 34a_100000185828_100000184674 [1,0,0,0,0,0|0,0,2]=3 755 B15R2.352 C#CCOc1ccc2ccccc2c1 7a_100000185828_100000038162 [1,0,0,0,0,0|0,0,2]=3 756 B15R2.352 C#CCOc1ccc2cccnc2c1 34a_100011216045_100000184674 [1,0,0,0,0,0|1,0,2]=4 757 B15R2.352 C#CCOc1ccc2ccncc2c1 7a_100000752006_100000038162 [1,0,0,0,0,0|1,0,2]=4 758 B15R2.352 C#CCOc1ccc2cnccc2c1 34a_100000046372_100000184674 [1,0,0,0,0,0|1,0,2]=4 759 B15R2.352 C#CCOc1ccc2cnccc2c1 7a_100000046372_100000038162 [1,0,0,0,0,0|1,0,2]=4 760 B15R2.352 C#CCOc1ccc2ncccc2c1 34a_100011215586_100000184674 [1,0,0,0,0,0|1,0,2]=4 761 B15R2.352 C#CCOc1ccc2ncccc2c1 7a_100011215586_100000038162 [1,0,0,0,0,0|1,0,2]=4 762 B15R2.352 C#CCOc1cnc2ccccc2c1 34a_100011934006_100000184674 [1,0,0,0,0,0|1,0,2]=4 763 B15R2.352 C#CCOc1cnc2ccccc2c1 7a_100011934006_100000038162 [1,0,0,0,0,0|1,0,2]=4 764 B15R2.352 C#CCSc1ccc2ccccc2c1 62a_100000038162_100000233703 [1,0,0,0,0,0|0,1,2]=4 765 B15R2.352 C=CCNc1ccc2ccccc2c1 34a_100000211940_100015514636 [1,0,0,0,0,0|1,0,2]=4 766 B15R2.352 C=CCNc1ccc2ccccc2c1 7a_100000211940_100015514636 [1,0,0,0,0,0|1,0,2]=4 767 B15R2.352 C=CCOc1ccc2ccccc2c1 34a_100000185828_100015514636 [1,0,0,0,0,0|0,0,2]=3 768 B15R2.352 C=CCOc1ccc2ccccc2c1 7a_100000185828_100015514636 [1,0,0,0,0,0|0,0,2]=3 769 B15R2.352 C=CCOc1ccc2cccnc2c1 34a_100011216045_100015514636 [1,0,0,0,0,0|1,0,2]=4 770 B15R2.352 C=CCOc1ccc2ccncc2c1 7a_100000752006_100015514636 [1,0,0,0,0,0|1,0,2]=4 771 B15R2.352 C=CCOc1ccc2cnccc2c1 34a_100000046372_100015514636 [1,0,0,0,0,0|1,0,2]=4 772 B15R2.352 C=CCOc1ccc2cnccc2c1 7a_100000046372_100015514636 [1,0,0,0,0,0|1,0,2]=4 773 B15R2.352 C=CCOc1ccc2ncccc2c1 34a_100011215586_100015514636 [1,0,0,0,0,0|1,0,2]=4 774 B15R2.352 C=CCOc1ccc2ncccc2c1 7a_100011215586_100015514636 [1,0,0,0,0,0|1,0,2]=4 775 B15R2.352 C=CCOc1cnc2ccccc2c1 34a_100011934006_100015514636 [1,0,0,0,0,0|1,0,2]=4 776 B15R2.352 C=CCOc1cnc2ccccc2c1 7a_100011934006_100015514636 [1,0,0,0,0,0|1,0,2]=4 777 B15R2.352 C=CCSc1ccc2ccccc2c1 62a_100000210623_100000233703 [1,0,0,0,0,0|0,1,2]=4 778 B15R2.352 CC=NNc1ccc2ccccc2c1 4a_100016987534_200000210099 [1,0,0,0,0,0|2,0,1]=4 779 B15R2.352 CCCCc1cc2ccccc2cn1 271570a_100020621405_100000047361 [1,0,0,0,0,0|1,0,0]=2 780 B15R2.352 CCCCc1cc2nccnc2cn1 271570a_100020621405_100010370699 [1,0,0,0,0,0|3,0,0]=4 781 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,0,0,0,0|0,0,0]=1 782 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [1,0,0,0,0,0|1,0,0]=2 783 B15R2.352 CCCCc1ccc2cccnc2c1 271570a_100020621405_100009816655 [1,0,0,0,0,0|1,0,0]=2 784 B15R2.352 CCCCc1ccc2cccnc2n1 271570a_100020621405_100009888989 [1,0,0,0,0,0|2,0,0]=3 785 B15R2.352 CCCCc1ccc2ccncc2c1 271570a_100020621405_100000686496 [1,0,0,0,0,0|1,0,0]=2 786 B15R2.352 CCCCc1ccc2ccncc2n1 271570a_100020621405_100000020162 [1,0,0,0,0,0|2,0,0]=3 787 B15R2.352 CCCCc1ccc2cnccc2c1 271570a_100020621405_100009816743 [1,0,0,0,0,0|1,0,0]=2 788 B15R2.352 CCCCc1ccc2cncnc2c1 271570a_100020621405_100010185614 [1,0,0,0,0,0|2,0,0]=3 789 B15R2.352 CCCCc1ccc2cnncc2c1 271570a_100020621405_100010198781 [1,0,0,0,0,0|2,0,0]=3 790 B15R2.352 CCCCc1ccc2ncccc2c1 271570a_100020621405_100000754243 [1,0,0,0,0,0|1,0,0]=2 791 B15R2.352 CCCCc1ccc2ncccc2n1 271570a_100020621405_100000073381 [1,0,0,0,0,0|2,0,0]=3 792 B15R2.352 CCCCc1ccc2nccnc2c1 271570a_100020621405_100011219451 [1,0,0,0,0,0|2,0,0]=3 793 B15R2.352 CCCCc1ccc2nccnc2n1 271570a_100020621405_100012351543 [1,0,0,0,0,0|3,0,0]=4 794 B15R2.352 CCCCc1ccc2ncncc2c1 271570a_100020621405_100009989443 [1,0,0,0,0,0|2,0,0]=3 795 B15R2.352 CCCCc1ccc2nnccc2c1 271570a_100020621405_100010209549 [1,0,0,0,0,0|2,0,0]=3 796 B15R2.352 CCCCc1cnc2ccccc2c1 271570a_100020621405_100000737414 [1,0,0,0,0,0|1,0,0]=2 797 B15R2.352 CCCCc1cnc2ccccc2n1 271570a_100020621405_100000756483 [1,0,0,0,0,0|2,0,0]=3 798 B15R2.352 CCCCc1cnc2cccnc2c1 271570a_100020621405_100010246316 [1,0,0,0,0,0|2,0,0]=3 799 B15R2.352 CCCCc1cnc2ncccc2n1 271570a_100020621405_100000084304 [1,0,0,0,0,0|3,0,0]=4 800 B15R2.352 CCCCc1cnc2nccnc2c1 271570a_100020621405_100000753224 [1,0,0,0,0,0|3,0,0]=4 801 B15R2.352 CCCCc1ncc2ccccc2n1 271570a_100020621405_100000097389 [1,0,0,0,0,0|2,0,0]=3 802 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [1,0,0,0,0,0|1,0,0]=2 803 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [1,0,0,0,0,0|1,0,0]=2 804 B15R2.352 CCCNc1ccc2cccnc2c1 34a_100102887122_100000210303 [1,0,0,0,0,0|2,0,0]=3 805 B15R2.352 CCCNc1ccc2cnccc2c1 34a_100000039641_100000210303 [1,0,0,0,0,0|2,0,0]=3 806 B15R2.352 CCCNc1ccc2ncccc2c1 34a_100011198106_100000210303 [1,0,0,0,0,0|2,0,0]=3 807 B15R2.352 CCCNc1ccc2nccnc2c1 34a_100011219565_100000210303 [1,0,0,0,0,0|3,0,0]=4 808 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [1,0,0,0,0,0|0,0,0]=1 809 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [1,0,0,0,0,0|0,0,0]=1 810 B15R2.352 CCCOc1ccc2cccnc2c1 34a_100011216045_100000210303 [1,0,0,0,0,0|1,0,0]=2 811 B15R2.352 CCCOc1ccc2ccncc2c1 7a_100000752006_100000210303 [1,0,0,0,0,0|1,0,0]=2 812 B15R2.352 CCCOc1ccc2cnccc2c1 34a_100000046372_100000210303 [1,0,0,0,0,0|1,0,0]=2 813 B15R2.352 CCCOc1ccc2cnccc2c1 7a_100000046372_100000210303 [1,0,0,0,0,0|1,0,0]=2 814 B15R2.352 CCCOc1ccc2ncccc2c1 34a_100011215586_100000210303 [1,0,0,0,0,0|1,0,0]=2 815 B15R2.352 CCCOc1ccc2ncccc2c1 7a_100011215586_100000210303 [1,0,0,0,0,0|1,0,0]=2 816 B15R2.352 CCCOc1ccc2nccnc2c1 34a_100000694412_100000210303 [1,0,0,0,0,0|2,0,0]=3 817 B15R2.352 CCCOc1cnc2ccccc2c1 34a_100011934006_100000210303 [1,0,0,0,0,0|1,0,0]=2 818 B15R2.352 CCCOc1cnc2ccccc2c1 7a_100011934006_100000210303 [1,0,0,0,0,0|1,0,0]=2 819 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100000210303_100000047361 [1,0,0,0,0,0|1,1,0]=3 820 B15R2.352 CCCSc1cc2ccccc2cn1 62a_100009816522_100000210303 [1,0,0,0,0,0|1,1,0]=3 821 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [1,0,0,0,0,0|0,1,0]=2 822 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100000210303_100011291633 [1,0,0,0,0,0|1,1,0]=3 823 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100011291633_100000210303 [1,0,0,0,0,0|1,1,0]=3 824 B15R2.352 CCCSc1ccc2cccnc2c1 62a_100000210303_100009816655 [1,0,0,0,0,0|1,1,0]=3 825 B15R2.352 CCCSc1ccc2cccnc2n1 62a_100000075685_100000210303 [1,0,0,0,0,0|2,1,0]=4 826 B15R2.352 CCCSc1ccc2cccnc2n1 62a_100000210303_100000075685 [1,0,0,0,0,0|2,1,0]=4 827 B15R2.352 CCCSc1ccc2ccncc2c1 62a_100000210303_100000686496 [1,0,0,0,0,0|1,1,0]=3 828 B15R2.352 CCCSc1ccc2ccncc2c1 62a_100000686496_100000210303 [1,0,0,0,0,0|1,1,0]=3 829 B15R2.352 CCCSc1ccc2ccncc2n1 62a_100000210303_100000020162 [1,0,0,0,0,0|2,1,0]=4 830 B15R2.352 CCCSc1ccc2cnccc2c1 62a_100000210303_100009816743 [1,0,0,0,0,0|1,1,0]=3 831 B15R2.352 CCCSc1ccc2cnccc2c1 62a_100009816743_100000210303 [1,0,0,0,0,0|1,1,0]=3 832 B15R2.352 CCCSc1ccc2cncnc2c1 62a_100000210303_100010185614 [1,0,0,0,0,0|2,1,0]=4 833 B15R2.352 CCCSc1ccc2cncnc2c1 62a_100010185614_100000210303 [1,0,0,0,0,0|2,1,0]=4 834 B15R2.352 CCCSc1ccc2cnncc2c1 62a_100000210303_100010198781 [1,0,0,0,0,0|2,1,0]=4 835 B15R2.352 CCCSc1ccc2cnncc2c1 62a_100010198781_100000210303 [1,0,0,0,0,0|2,1,0]=4 836 B15R2.352 CCCSc1ccc2ncccc2c1 62a_100000210303_100011215947 [1,0,0,0,0,0|1,1,0]=3 837 B15R2.352 CCCSc1ccc2ncccc2c1 62a_100011215947_100000210303 [1,0,0,0,0,0|1,1,0]=3 838 B15R2.352 CCCSc1ccc2ncccc2n1 62a_100000210303_100000073381 [1,0,0,0,0,0|2,1,0]=4 839 B15R2.352 CCCSc1ccc2nccnc2c1 62a_100000210303_100011219451 [1,0,0,0,0,0|2,1,0]=4 840 B15R2.352 CCCSc1ccc2nccnc2c1 62a_100011219451_100000210303 [1,0,0,0,0,0|2,1,0]=4 841 B15R2.352 CCCSc1ccc2ncncc2c1 62a_100000210303_100009989443 [1,0,0,0,0,0|2,1,0]=4 842 B15R2.352 CCCSc1ccc2ncncc2c1 62a_100009989443_100000210303 [1,0,0,0,0,0|2,1,0]=4 843 B15R2.352 CCCSc1ccc2nnccc2c1 62a_100000210303_100010209549 [1,0,0,0,0,0|2,1,0]=4 844 B15R2.352 CCCSc1ccc2nnccc2c1 62a_100010209549_100000210303 [1,0,0,0,0,0|2,1,0]=4 845 B15R2.352 CCCSc1cnc2ccccc2c1 62a_100000210303_100000737414 [1,0,0,0,0,0|1,1,0]=3 846 B15R2.352 CCCSc1cnc2ccccc2n1 62a_100000210303_100000756483 [1,0,0,0,0,0|2,1,0]=4 847 B15R2.352 CCCSc1cnc2ccccc2n1 62a_100000756483_100000210303 [1,0,0,0,0,0|2,1,0]=4 848 B15R2.352 CCCSc1cnc2cccnc2c1 62a_100000210303_100010246316 [1,0,0,0,0,0|2,1,0]=4 849 B15R2.352 CCCSc1cnc2cccnc2c1 62a_100010246316_100000210303 [1,0,0,0,0,0|2,1,0]=4 850 B15R2.352 CCCSc1ncc2ccccc2n1 62a_100000210303_100000097389 [1,0,0,0,0,0|2,1,0]=4 851 B15R2.352 CCNCC1=Cc2ccccc2OC1 270004a_100015525214_100000013085 [1,0,0,0,0,0|2,0,1]=4 852 B15R2.352 CCNCc1cc2ccccc2cn1 207a_100015525214_100000059776 [1,0,0,0,0,0|2,0,0]=3 853 B15R2.352 CCNCc1cc2ccccc2cn1 2230a_100015525214_100009869231 [1,0,0,0,0,0|2,0,0]=3 854 B15R2.352 CCNCc1cc2ccccc2cn1 270004a_100015525214_100000059776 [1,0,0,0,0,0|2,0,0]=3 855 B15R2.352 CCNCc1ccc2ccccc2c1 207a_100015525214_100000211584 [1,0,0,0,0,0|1,0,0]=2 856 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210202 [1,0,0,0,0,0|1,0,0]=2 857 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100015525214_100011216711 [1,0,0,0,0,0|1,0,0]=2 858 B15R2.352 CCNCc1ccc2ccccc2c1 270004a_100015525214_100000211584 [1,0,0,0,0,0|1,0,0]=2 859 B15R2.352 CCNCc1ccc2ccccc2c1 34a_100000739491_100000210202 [1,0,0,0,0,0|1,0,0]=2 860 B15R2.352 CCNCc1ccc2ccccc2n1 207a_100015525214_100000759686 [1,0,0,0,0,0|2,0,0]=3 861 B15R2.352 CCNCc1ccc2ccccc2n1 2230a_100015525214_100000737579 [1,0,0,0,0,0|2,0,0]=3 862 B15R2.352 CCNCc1ccc2ccccc2n1 270004a_100015525214_100000759686 [1,0,0,0,0,0|2,0,0]=3 863 B15R2.352 CCNCc1ccc2cccnc2c1 207a_100015525214_100011784159 [1,0,0,0,0,0|2,0,0]=3 864 B15R2.352 CCNCc1ccc2cccnc2c1 270004a_100015525214_100011784159 [1,0,0,0,0,0|2,0,0]=3 865 B15R2.352 CCNCc1ccc2cnccc2c1 207a_100015525214_100000068276 [1,0,0,0,0,0|2,0,0]=3 866 B15R2.352 CCNCc1ccc2cnccc2c1 2230a_100015525214_100020605334 [1,0,0,0,0,0|2,0,0]=3 867 B15R2.352 CCNCc1ccc2cnccc2c1 270004a_100015525214_100000068276 [1,0,0,0,0,0|2,0,0]=3 868 B15R2.352 CCNCc1ccc2ncccc2c1 207a_100015525214_100000211315 [1,0,0,0,0,0|2,0,0]=3 869 B15R2.352 CCNCc1ccc2ncccc2c1 2230a_100015525214_100000703657 [1,0,0,0,0,0|2,0,0]=3 870 B15R2.352 CCNCc1ccc2ncccc2c1 270004a_100015525214_100000211315 [1,0,0,0,0,0|2,0,0]=3 871 B15R2.352 CCNCc1ccc2ncccc2c1 34a_100000238500_100000210202 [1,0,0,0,0,0|2,0,0]=3 872 B15R2.352 CCNCc1ccc2nccnc2c1 2230a_100015525214_200011762199 [1,0,0,0,0,0|3,0,0]=4 873 B15R2.352 CCNCc1ccc2nccnc2c1 270004a_100015525214_100000239887 [1,0,0,0,0,0|3,0,0]=4 874 B15R2.352 CCNCc1cnc2ccccc2c1 207a_100015525214_100000750898 [1,0,0,0,0,0|2,0,0]=3 875 B15R2.352 CCNCc1cnc2ccccc2c1 270004a_100015525214_100000750898 [1,0,0,0,0,0|2,0,0]=3 876 B15R2.352 CCNCc1cnc2ccccc2c1 34a_100000742225_100000210202 [1,0,0,0,0,0|2,0,0]=3 877 B15R2.352 CCNCc1cnc2ccccc2n1 270004a_100015525214_100000204677 [1,0,0,0,0,0|3,0,0]=4 878 B15R2.352 CCOCc1cc2ccccc2cn1 34a_100121572206_100009869231 [1,0,0,0,0,0|2,0,0]=3 879 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100011215330_100000210202 [1,0,0,0,0,0|1,0,0]=2 880 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100121572206_100011216711 [1,0,0,0,0,0|1,0,0]=2 881 B15R2.352 CCOCc1ccc2ccccc2c1 7a_100011215330_100000210202 [1,0,0,0,0,0|1,0,0]=2 882 B15R2.352 CCOCc1ccc2ccccc2n1 34a_100121572206_100000737579 [1,0,0,0,0,0|2,0,0]=3 883 B15R2.352 CCOCc1ccc2cnccc2c1 34a_100121572206_100020605334 [1,0,0,0,0,0|2,0,0]=3 884 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100011315636_100000210202 [1,0,0,0,0,0|2,0,0]=3 885 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100121572206_100000703657 [1,0,0,0,0,0|2,0,0]=3 886 B15R2.352 CCOCc1cnc2ccccc2c1 34a_100011258773_100000210202 [1,0,0,0,0,0|2,0,0]=3 887 B15R2.352 CCOCc1ncc2ccccc2n1 34a_100121572206_100009868571 [1,0,0,0,0,0|3,0,0]=4 888 B15R2.352 CCSCc1cc2ccccc2cn1 62a_100000210202_100009869231 [1,0,0,0,0,0|2,0,0]=3 889 B15R2.352 CCSCc1cc2ccccc2cn1 62a_100009869231_100000210202 [1,0,0,0,0,0|2,0,0]=3 890 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100000210202_100011216711 [1,0,0,0,0,0|1,0,0]=2 891 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100011216711_100000210202 [1,0,0,0,0,0|1,0,0]=2 892 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000210202_100000737579 [1,0,0,0,0,0|2,0,0]=3 893 B15R2.352 CCSCc1ccc2ccccc2n1 62a_100000737579_100000210202 [1,0,0,0,0,0|2,0,0]=3 894 B15R2.352 CCSCc1ccc2cnccc2c1 62a_100000210202_100020605334 [1,0,0,0,0,0|2,0,0]=3 895 B15R2.352 CCSCc1ccc2cnccc2c1 62a_100020605334_100000210202 [1,0,0,0,0,0|2,0,0]=3 896 B15R2.352 CCSCc1ccc2ncccc2c1 62a_100000210202_100000703657 [1,0,0,0,0,0|2,0,0]=3 897 B15R2.352 CCSCc1ccc2ncccc2c1 62a_100000703657_100000210202 [1,0,0,0,0,0|2,0,0]=3 898 B15R2.352 CCSCc1ccc2nccnc2c1 62a_100000210202_200011762199 [1,0,0,0,0,0|3,0,0]=4 899 B15R2.352 CCSCc1ccc2nccnc2c1 62a_200011762199_100000210202 [1,0,0,0,0,0|3,0,0]=4 900 B15R2.352 CCSCc1cnc2ccccc2n1 62a_100000210202_200000751123 [1,0,0,0,0,0|3,0,0]=4 901 B15R2.352 CCSCc1cnc2ccccc2n1 62a_200000751123_100000210202 [1,0,0,0,0,0|3,0,0]=4 902 B15R2.352 CCSCc1ncc2ccccc2n1 62a_100000210202_100009868571 [1,0,0,0,0,0|3,0,0]=4 903 B15R2.352 CCSCc1ncc2ccccc2n1 62a_100009868571_100000210202 [1,0,0,0,0,0|3,0,0]=4 904 B15R2.352 CNCCc1ccc2ccccc2c1 2230a_100000746582_200000210301 [1,0,0,0,0,0|1,0,0]=2 905 B15R2.352 CNCCc1ccc2ccccc2c1 34a_100000746582_200000210301 [1,0,0,0,0,0|1,0,0]=2 906 B15R2.352 COCCc1ccc2ccccc2c1 34a_100000755654_200000210301 [1,0,0,0,0,0|1,0,0]=2 907 B15R2.352 COCCc1ccc2ccccc2c1 7a_100000755654_200000210301 [1,0,0,0,0,0|1,0,0]=2 908 B15R2.352 COCCc1ccc2ccccc2n1 34a_100011996444_200000210301 [1,0,0,0,0,0|2,0,0]=3 909 B15R2.352 COCSc1cc2ccccc2cn1 62a_100000766300_100000047361 [1,0,0,0,0,0|2,1,0]=4 910 B15R2.352 COCSc1cc2ccccc2cn1 62a_100009816522_100000766300 [1,0,0,0,0,0|2,1,0]=4 911 B15R2.352 COCSc1ccc2ccccc2c1 62a_100000766300_100000233703 [1,0,0,0,0,0|1,1,0]=3 912 B15R2.352 COCSc1ccc2ccccc2n1 62a_100000766300_100011291633 [1,0,0,0,0,0|2,1,0]=4 913 B15R2.352 COCSc1ccc2ccccc2n1 62a_100011291633_100000766300 [1,0,0,0,0,0|2,1,0]=4 914 B15R2.352 COCSc1ccc2cccnc2c1 62a_100000766300_100009816655 [1,0,0,0,0,0|2,1,0]=4 915 B15R2.352 COCSc1ccc2ccncc2c1 62a_100000686496_100000766300 [1,0,0,0,0,0|2,1,0]=4 916 B15R2.352 COCSc1ccc2ccncc2c1 62a_100000766300_100000686496 [1,0,0,0,0,0|2,1,0]=4 917 B15R2.352 COCSc1ccc2cnccc2c1 62a_100000766300_100009816743 [1,0,0,0,0,0|2,1,0]=4 918 B15R2.352 COCSc1ccc2cnccc2c1 62a_100009816743_100000766300 [1,0,0,0,0,0|2,1,0]=4 919 B15R2.352 COCSc1ccc2ncccc2c1 62a_100000766300_100011215947 [1,0,0,0,0,0|2,1,0]=4 920 B15R2.352 COCSc1ccc2ncccc2c1 62a_100011215947_100000766300 [1,0,0,0,0,0|2,1,0]=4 921 B15R2.352 COCSc1cnc2ccccc2c1 62a_100000766300_100000737414 [1,0,0,0,0,0|2,1,0]=4 922 B15R2.352 CSCNc1ccc2ccccc2c1 34a_100000211940_100011218213 [1,0,0,0,0,0|2,0,0]=3 923 B15R2.352 CSCNc1ccc2cccnc2c1 34a_100102887122_100011218213 [1,0,0,0,0,0|3,0,0]=4 924 B15R2.352 CSCNc1ccc2cnccc2c1 34a_100000039641_100011218213 [1,0,0,0,0,0|3,0,0]=4 925 B15R2.352 CSCNc1ccc2ncccc2c1 34a_100011198106_100011218213 [1,0,0,0,0,0|3,0,0]=4 926 B15R2.352 CSCOc1ccc2ccccc2c1 34a_100000185828_100011218213 [1,0,0,0,0,0|1,0,0]=2 927 B15R2.352 CSCOc1ccc2cccnc2c1 34a_100011216045_100011218213 [1,0,0,0,0,0|2,0,0]=3 928 B15R2.352 CSCOc1ccc2cnccc2c1 34a_100000046372_100011218213 [1,0,0,0,0,0|2,0,0]=3 929 B15R2.352 CSCOc1ccc2ncccc2c1 34a_100011215586_100011218213 [1,0,0,0,0,0|2,0,0]=3 930 B15R2.352 CSCOc1ccc2nccnc2c1 34a_100000694412_100011218213 [1,0,0,0,0,0|3,0,0]=4 931 B15R2.352 CSCOc1cnc2ccccc2c1 34a_100011934006_100011218213 [1,0,0,0,0,0|2,0,0]=3 932 B15R2.352 CSCSc1cc2ccccc2cn1 62a_100009816522_100011218213 [1,0,0,0,0,0|2,1,0]=4 933 B15R2.352 CSCSc1cc2ccccc2cn1 62a_100011218213_100000047361 [1,0,0,0,0,0|2,1,0]=4 934 B15R2.352 CSCSc1ccc2ccccc2c1 62a_100011218213_100000233703 [1,0,0,0,0,0|1,1,0]=3 935 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011218213_100011291633 [1,0,0,0,0,0|2,1,0]=4 936 B15R2.352 CSCSc1ccc2ccccc2n1 62a_100011291633_100011218213 [1,0,0,0,0,0|2,1,0]=4 937 B15R2.352 CSCSc1ccc2cccnc2c1 62a_100011218213_100009816655 [1,0,0,0,0,0|2,1,0]=4 938 B15R2.352 CSCSc1ccc2ccncc2c1 62a_100000686496_100011218213 [1,0,0,0,0,0|2,1,0]=4 939 B15R2.352 CSCSc1ccc2ccncc2c1 62a_100011218213_100000686496 [1,0,0,0,0,0|2,1,0]=4 940 B15R2.352 CSCSc1ccc2cnccc2c1 62a_100009816743_100011218213 [1,0,0,0,0,0|2,1,0]=4 941 B15R2.352 CSCSc1ccc2cnccc2c1 62a_100011218213_100009816743 [1,0,0,0,0,0|2,1,0]=4 942 B15R2.352 CSCSc1ccc2ncccc2c1 62a_100011215947_100011218213 [1,0,0,0,0,0|2,1,0]=4 943 B15R2.352 CSCSc1ccc2ncccc2c1 62a_100011218213_100011215947 [1,0,0,0,0,0|2,1,0]=4 944 B15R2.352 CSCSc1cnc2ccccc2c1 62a_100011218213_100000737414 [1,0,0,0,0,0|2,1,0]=4 945 B15R2.352 FCCNc1ccc2ccccc2c1 34a_100000211940_100011217306 [1,0,0,0,0,0|2,0,0]=3 946 B15R2.352 FCCNc1ccc2ccccc2c1 7a_100000211940_100011217306 [1,0,0,0,0,0|2,0,0]=3 947 B15R2.352 FCCNc1ccc2cccnc2c1 34a_100102887122_100011217306 [1,0,0,0,0,0|3,0,0]=4 948 B15R2.352 FCCNc1ccc2cnccc2c1 34a_100000039641_100011217306 [1,0,0,0,0,0|3,0,0]=4 949 B15R2.352 FCCNc1ccc2ncccc2c1 34a_100011198106_100011217306 [1,0,0,0,0,0|3,0,0]=4 950 B15R2.352 FCCOc1ccc2ccccc2c1 34a_100000185828_100011217306 [1,0,0,0,0,0|1,0,0]=2 951 B15R2.352 FCCOc1ccc2ccccc2c1 7a_100000185828_100011217306 [1,0,0,0,0,0|1,0,0]=2 952 B15R2.352 FCCOc1ccc2cccnc2c1 34a_100011216045_100011217306 [1,0,0,0,0,0|2,0,0]=3 953 B15R2.352 FCCOc1ccc2ccncc2c1 7a_100000752006_100011217306 [1,0,0,0,0,0|2,0,0]=3 954 B15R2.352 FCCOc1ccc2cnccc2c1 34a_100000046372_100011217306 [1,0,0,0,0,0|2,0,0]=3 955 B15R2.352 FCCOc1ccc2cnccc2c1 7a_100000046372_100011217306 [1,0,0,0,0,0|2,0,0]=3 956 B15R2.352 FCCOc1ccc2ncccc2c1 34a_100011215586_100011217306 [1,0,0,0,0,0|2,0,0]=3 957 B15R2.352 FCCOc1ccc2ncccc2c1 7a_100011215586_100011217306 [1,0,0,0,0,0|2,0,0]=3 958 B15R2.352 FCCOc1ccc2nccnc2c1 34a_100000694412_100011217306 [1,0,0,0,0,0|3,0,0]=4 959 B15R2.352 FCCOc1cnc2ccccc2c1 34a_100011934006_100011217306 [1,0,0,0,0,0|2,0,0]=3 960 B15R2.352 FCCOc1cnc2ccccc2c1 7a_100011934006_100011217306 [1,0,0,0,0,0|2,0,0]=3 961 B15R2.352 FCCSc1cc2ccccc2cn1 62a_100009816522_100011217306 [1,0,0,0,0,0|2,1,0]=4 962 B15R2.352 FCCSc1cc2ccccc2cn1 62a_100011217306_100000047361 [1,0,0,0,0,0|2,1,0]=4 963 B15R2.352 FCCSc1ccc2ccccc2c1 62a_100011217306_100000233703 [1,0,0,0,0,0|1,1,0]=3 964 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011217306_100011291633 [1,0,0,0,0,0|2,1,0]=4 965 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011291633_100011217306 [1,0,0,0,0,0|2,1,0]=4 966 B15R2.352 FCCSc1ccc2cccnc2c1 62a_100011217306_100009816655 [1,0,0,0,0,0|2,1,0]=4 967 B15R2.352 FCCSc1ccc2ccncc2c1 62a_100000686496_100011217306 [1,0,0,0,0,0|2,1,0]=4 968 B15R2.352 FCCSc1ccc2ccncc2c1 62a_100011217306_100000686496 [1,0,0,0,0,0|2,1,0]=4 969 B15R2.352 FCCSc1ccc2cnccc2c1 62a_100009816743_100011217306 [1,0,0,0,0,0|2,1,0]=4 970 B15R2.352 FCCSc1ccc2cnccc2c1 62a_100011217306_100009816743 [1,0,0,0,0,0|2,1,0]=4 971 B15R2.352 FCCSc1ccc2ncccc2c1 62a_100011215947_100011217306 [1,0,0,0,0,0|2,1,0]=4 972 B15R2.352 FCCSc1ccc2ncccc2c1 62a_100011217306_100011215947 [1,0,0,0,0,0|2,1,0]=4 973 B15R2.352 FCCSc1cnc2ccccc2c1 62a_100011217306_100000737414 [1,0,0,0,0,0|2,1,0]=4 974 B15R2.352 FCNCc1ccc2ccccc2c1 34a_100000739491_100015361967 [1,0,0,0,0,0|2,0,0]=3 975 B15R2.352 FCNCc1ccc2ncccc2c1 34a_100000238500_100015361967 [1,0,0,0,0,0|3,0,0]=4 976 B15R2.352 FCNCc1cnc2ccccc2c1 34a_100000742225_100015361967 [1,0,0,0,0,0|3,0,0]=4 977 B15R2.352 FCOCc1ccc2ccccc2c1 34a_100011215330_100015361967 [1,0,0,0,0,0|2,0,0]=3 978 B15R2.352 FCOCc1ccc2ccccc2c1 7a_100011215330_100015361967 [1,0,0,0,0,0|2,0,0]=3 979 B15R2.352 FCOCc1ccc2ncccc2c1 34a_100011315636_100015361967 [1,0,0,0,0,0|3,0,0]=4 980 B15R2.352 FCOCc1cnc2ccccc2c1 34a_100011258773_100015361967 [1,0,0,0,0,0|3,0,0]=4 981 B15R2.352 FCSCc1cc2ccccc2cn1 62a_100009869231_100015361967 [1,0,0,0,0,0|3,0,0]=4 982 B15R2.352 FCSCc1cc2ccccc2cn1 62a_100015361967_100009869231 [1,0,0,0,0,0|3,0,0]=4 983 B15R2.352 FCSCc1ccc2ccccc2c1 62a_100011216711_100015361967 [1,0,0,0,0,0|2,0,0]=3 984 B15R2.352 FCSCc1ccc2ccccc2c1 62a_100015361967_100011216711 [1,0,0,0,0,0|2,0,0]=3 985 B15R2.352 FCSCc1ccc2ccccc2n1 62a_100000737579_100015361967 [1,0,0,0,0,0|3,0,0]=4 986 B15R2.352 FCSCc1ccc2ccccc2n1 62a_100015361967_100000737579 [1,0,0,0,0,0|3,0,0]=4 987 B15R2.352 FCSCc1ccc2cnccc2c1 62a_100015361967_100020605334 [1,0,0,0,0,0|3,0,0]=4 988 B15R2.352 FCSCc1ccc2cnccc2c1 62a_100020605334_100015361967 [1,0,0,0,0,0|3,0,0]=4 989 B15R2.352 FCSCc1ccc2ncccc2c1 62a_100000703657_100015361967 [1,0,0,0,0,0|3,0,0]=4 990 B15R2.352 FCSCc1ccc2ncccc2c1 62a_100015361967_100000703657 [1,0,0,0,0,0|3,0,0]=4 991 B15R2.352 N#CCNc1ccc2ccccc2c1 7a_100000211940_100011215382 [1,0,0,0,0,0|2,0,1]=4 992 B15R2.352 N#CCOc1ccc2ccccc2c1 7a_100000185828_100011215382 [1,0,0,0,0,0|1,0,1]=3 993 B15R2.352 N#CCOc1ccc2ccncc2c1 7a_100000752006_100011215382 [1,0,0,0,0,0|2,0,1]=4 994 B15R2.352 N#CCOc1ccc2cnccc2c1 7a_100000046372_100011215382 [1,0,0,0,0,0|2,0,1]=4 995 B15R2.352 N#CCOc1ccc2ncccc2c1 7a_100011215586_100011215382 [1,0,0,0,0,0|2,0,1]=4 996 B15R2.352 N#CCOc1cnc2ccccc2c1 7a_100011934006_100011215382 [1,0,0,0,0,0|2,0,1]=4 997 B15R2.352 N#CCSc1ccc2ccccc2c1 62a_100011215382_100000233703 [1,0,0,0,0,0|1,1,1]=4 998 B15R2.352 O=CCNc1ccc2ccccc2c1 34a_100000211940_200009817547 [1,0,0,0,0,0|2,0,1]=4 999 B15R2.352 O=CCNc1ccc2ccccc2c1 7a_100000211940_200015260668 [1,0,0,0,0,0|2,0,1]=4 1000 B15R2.352 O=CCOc1ccc2ccccc2c1 34a_100000185828_200009817547 [1,0,0,0,0,0|1,0,1]=3 1001 B15R2.352 O=CCOc1ccc2ccccc2c1 7a_100000185828_200015260668 [1,0,0,0,0,0|1,0,1]=3 1002 B15R2.352 O=CCOc1ccc2cccnc2c1 34a_100011216045_200009817547 [1,0,0,0,0,0|2,0,1]=4 1003 B15R2.352 O=CCOc1ccc2ccncc2c1 7a_100000752006_200015260668 [1,0,0,0,0,0|2,0,1]=4 1004 B15R2.352 O=CCOc1ccc2cnccc2c1 34a_100000046372_200009817547 [1,0,0,0,0,0|2,0,1]=4 1005 B15R2.352 O=CCOc1ccc2cnccc2c1 7a_100000046372_200015260668 [1,0,0,0,0,0|2,0,1]=4 1006 B15R2.352 O=CCOc1ccc2ncccc2c1 34a_100011215586_200009817547 [1,0,0,0,0,0|2,0,1]=4 1007 B15R2.352 O=CCOc1ccc2ncccc2c1 7a_100011215586_200015260668 [1,0,0,0,0,0|2,0,1]=4 1008 B15R2.352 O=CCOc1cnc2ccccc2c1 34a_100011934006_200009817547 [1,0,0,0,0,0|2,0,1]=4 1009 B15R2.352 O=CCOc1cnc2ccccc2c1 7a_100011934006_200015260668 [1,0,0,0,0,0|2,0,1]=4 1010 B15R2.352 O=CCSc1ccc2ccccc2c1 62a_200015260668_100000233703 [1,0,0,0,0,0|1,1,1]=4 1011 B15R2.352 OCCNc1ccc2ccccc2c1 34a_100000211940_100000211926 [1,0,0,0,0,0|2,0,0]=3 1012 B15R2.352 OCCNc1ccc2ccccc2c1 7a_100000211940_100000211926 [1,0,0,0,0,0|2,0,0]=3 1013 B15R2.352 OCCNc1ccc2ccccc2n1 27a_100000210304_100011291633 [1,0,0,0,0,0|3,0,0]=4 1014 B15R2.352 OCCNc1ccc2cccnc2c1 34a_100102887122_100000211926 [1,0,0,0,0,0|3,0,0]=4 1015 B15R2.352 OCCNc1ccc2cnccc2c1 34a_100000039641_100000211926 [1,0,0,0,0,0|3,0,0]=4 1016 B15R2.352 OCCNc1ccc2ncccc2c1 34a_100011198106_100000211926 [1,0,0,0,0,0|3,0,0]=4 1017 B15R2.352 OCCOc1ccc2ccccc2c1 34a_100000185828_100000211926 [1,0,0,0,0,0|1,0,0]=2 1018 B15R2.352 OCCOc1ccc2ccccc2c1 7a_100000185828_100000211926 [1,0,0,0,0,0|1,0,0]=2 1019 B15R2.352 OCCOc1ccc2cccnc2c1 34a_100011216045_100000211926 [1,0,0,0,0,0|2,0,0]=3 1020 B15R2.352 OCCOc1ccc2ccncc2c1 7a_100000752006_100000211926 [1,0,0,0,0,0|2,0,0]=3 1021 B15R2.352 OCCOc1ccc2cnccc2c1 34a_100000046372_100000211926 [1,0,0,0,0,0|2,0,0]=3 1022 B15R2.352 OCCOc1ccc2cnccc2c1 7a_100000046372_100000211926 [1,0,0,0,0,0|2,0,0]=3 1023 B15R2.352 OCCOc1ccc2ncccc2c1 34a_100011215586_100000211926 [1,0,0,0,0,0|2,0,0]=3 1024 B15R2.352 OCCOc1ccc2ncccc2c1 7a_100011215586_100000211926 [1,0,0,0,0,0|2,0,0]=3 1025 B15R2.352 OCCOc1ccc2nccnc2c1 34a_100000694412_100000211926 [1,0,0,0,0,0|3,0,0]=4 1026 B15R2.352 OCCOc1cnc2ccccc2c1 34a_100011934006_100000211926 [1,0,0,0,0,0|2,0,0]=3 1027 B15R2.352 OCCOc1cnc2ccccc2c1 7a_100011934006_100000211926 [1,0,0,0,0,0|2,0,0]=3 1028 B15R2.352 OCCSc1cc2ccccc2cn1 62a_100000211926_100000047361 [1,0,0,0,0,0|2,1,0]=4 1029 B15R2.352 OCCSc1cc2ccccc2cn1 62a_100009816522_100000211926 [1,0,0,0,0,0|2,1,0]=4 1030 B15R2.352 OCCSc1ccc2ccccc2c1 62a_100000211926_100000233703 [1,0,0,0,0,0|1,1,0]=3 1031 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100000211926_100011291633 [1,0,0,0,0,0|2,1,0]=4 1032 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100011291633_100000211926 [1,0,0,0,0,0|2,1,0]=4 1033 B15R2.352 OCCSc1ccc2cccnc2c1 62a_100000211926_100009816655 [1,0,0,0,0,0|2,1,0]=4 1034 B15R2.352 OCCSc1ccc2ccncc2c1 62a_100000211926_100000686496 [1,0,0,0,0,0|2,1,0]=4 1035 B15R2.352 OCCSc1ccc2ccncc2c1 62a_100000686496_100000211926 [1,0,0,0,0,0|2,1,0]=4 1036 B15R2.352 OCCSc1ccc2cnccc2c1 62a_100000211926_100009816743 [1,0,0,0,0,0|2,1,0]=4 1037 B15R2.352 OCCSc1ccc2cnccc2c1 62a_100009816743_100000211926 [1,0,0,0,0,0|2,1,0]=4 1038 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100000211926_100011215947 [1,0,0,0,0,0|2,1,0]=4 1039 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100011215947_100000211926 [1,0,0,0,0,0|2,1,0]=4 1040 B15R2.352 OCCSc1cnc2ccccc2c1 62a_100000211926_100000737414 [1,0,0,0,0,0|2,1,0]=4 1041 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 2230a_100000746582_200025704644 [1,0,0,0,0,0|1,0,0]=2 1042 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 34a_100000746582_200025704644 [1,0,0,0,0,0|1,0,0]=2 1043 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 34a_100000755654_200025704644 [1,0,0,0,0,0|1,0,0]=2 1044 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 7a_100000755654_200025704644 [1,0,0,0,0,0|1,0,0]=2 1045 B15R2.352 [13CH3]OCCc1ccc2ccccc2n1 34a_100011996444_200025704644 [1,0,0,0,0,0|2,0,0]=3 1046 B17R2.556 C=C(C#N)COc1ccc2ccccc2c1 34a_100000185828_100000694840 [0,1,0,0,0,0|1,0,2]=4 1047 B17R2.556 C=CC(O)CNc1ccc2ccccc2c1 34a_100000211940_100000730141 [0,1,0,0,0,0|1,0,2]=4 1048 B17R2.556 C=CC(O)CNc1ccc2ccccc2c1 7a_100000211940_100000730141 [0,1,0,0,0,0|1,0,2]=4 1049 B17R2.556 C=CC(O)COc1ccc2ccccc2c1 34a_100000185828_100000730141 [0,1,0,0,0,0|0,0,2]=3 1050 B17R2.556 C=CC(O)COc1ccc2ccccc2c1 7a_100000185828_100000730141 [0,1,0,0,0,0|0,0,2]=3 1051 B17R2.556 C=CC(O)COc1ccc2cccnc2c1 34a_100011216045_100000730141 [0,1,0,0,0,0|1,0,2]=4 1052 B17R2.556 C=CC(O)COc1ccc2ccncc2c1 7a_100000752006_100000730141 [0,1,0,0,0,0|1,0,2]=4 1053 B17R2.556 C=CC(O)COc1ccc2cnccc2c1 34a_100000046372_100000730141 [0,1,0,0,0,0|1,0,2]=4 1054 B17R2.556 C=CC(O)COc1ccc2cnccc2c1 7a_100000046372_100000730141 [0,1,0,0,0,0|1,0,2]=4 1055 B17R2.556 C=CC(O)COc1ccc2ncccc2c1 34a_100011215586_100000730141 [0,1,0,0,0,0|1,0,2]=4 1056 B17R2.556 C=CC(O)COc1ccc2ncccc2c1 7a_100011215586_100000730141 [0,1,0,0,0,0|1,0,2]=4 1057 B17R2.556 C=CC(O)COc1cnc2ccccc2c1 34a_100011934006_100000730141 [0,1,0,0,0,0|1,0,2]=4 1058 B17R2.556 C=CC(O)COc1cnc2ccccc2c1 7a_100011934006_100000730141 [0,1,0,0,0,0|1,0,2]=4 1059 B17R2.556 C=CC(O)CSc1ccc2ccccc2c1 62a_100000730141_100000233703 [0,1,0,0,0,0|0,1,2]=4 1060 B17R2.556 CC(CF)OCc1ccc2ccccc2c1 34a_100016041109_100011216711 [0,1,0,0,0,0|3,0,0]=4 1061 B17R2.556 CC(CF)OCc1ccc2ccccc2c1 7a_100016041109_100011216711 [0,1,0,0,0,0|3,0,0]=4 1062 B17R2.556 CC(CN)OCc1ccc2ccccc2c1 34a_100000210904_100011216711 [0,1,0,0,0,0|3,0,0]=4 1063 B17R2.556 CC(CO)CNc1ccc2ccccc2n1 27a_100000744482_100011291633 [0,1,0,0,0,0|3,0,0]=4 1064 B17R2.556 CC(CO)NCc1ccc2ccccc2c1 2230a_100000739491_100012180447 [0,1,0,0,0,0|3,0,0]=4 1065 B17R2.556 CC(CO)NCc1ccc2ccccc2c1 34a_100000739491_100012180447 [0,1,0,0,0,0|3,0,0]=4 1066 B17R2.556 CC(CO)OCc1ccc2ccccc2c1 34a_100011215330_100012180447 [0,1,0,0,0,0|3,0,0]=4 1067 B17R2.556 CC(CO)OCc1ccc2ccccc2c1 7a_100011215330_100012180447 [0,1,0,0,0,0|3,0,0]=4 1068 B17R2.556 CC(CO)SCc1ccc2ccccc2c1 62a_100012180447_100011216711 [0,1,0,0,0,0|3,0,0]=4 1069 B17R2.556 CCC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_100000210202 [0,1,0,0,0,0|1,0,1]=3 1070 B17R2.556 CCC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000747405 [0,1,0,0,0,0|1,0,1]=3 1071 B17R2.556 CCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210202 [0,1,0,0,0,0|0,0,1]=2 1072 B17R2.556 CCC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000747405 [0,1,0,0,0,0|0,0,1]=2 1073 B17R2.556 CCC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000747405 [0,1,0,0,0,0|1,0,1]=3 1074 B17R2.556 CCC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000747405 [0,1,0,0,0,0|1,0,1]=3 1075 B17R2.556 CCC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000747405 [0,1,0,0,0,0|1,0,1]=3 1076 B17R2.556 CCC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000747405 [0,1,0,0,0,0|1,0,1]=3 1077 B17R2.556 CCC(=O)CSc1cc2ccccc2cn1 62a_100000747405_100000047361 [0,1,0,0,0,0|1,1,1]=4 1078 B17R2.556 CCC(=O)CSc1cc2ccccc2cn1 62a_100009816522_100000747405 [0,1,0,0,0,0|1,1,1]=4 1079 B17R2.556 CCC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_100000210202 [0,1,0,0,0,0|0,1,1]=3 1080 B17R2.556 CCC(=O)CSc1ccc2ccccc2c1 62a_100000747405_100000233703 [0,1,0,0,0,0|0,1,1]=3 1081 B17R2.556 CCC(=O)CSc1ccc2ccccc2n1 62a_100000747405_100011291633 [0,1,0,0,0,0|1,1,1]=4 1082 B17R2.556 CCC(=O)CSc1ccc2ccccc2n1 62a_100011291633_100000747405 [0,1,0,0,0,0|1,1,1]=4 1083 B17R2.556 CCC(=O)CSc1ccc2cccnc2c1 62a_100000747405_100009816655 [0,1,0,0,0,0|1,1,1]=4 1084 B17R2.556 CCC(=O)CSc1ccc2ccncc2c1 62a_100000686496_100000747405 [0,1,0,0,0,0|1,1,1]=4 1085 B17R2.556 CCC(=O)CSc1ccc2ccncc2c1 62a_100000747405_100000686496 [0,1,0,0,0,0|1,1,1]=4 1086 B17R2.556 CCC(=O)CSc1ccc2cnccc2c1 62a_100000747405_100009816743 [0,1,0,0,0,0|1,1,1]=4 1087 B17R2.556 CCC(=O)CSc1ccc2cnccc2c1 62a_100009816743_100000747405 [0,1,0,0,0,0|1,1,1]=4 1088 B17R2.556 CCC(=O)CSc1ccc2ncccc2c1 62a_100000747405_100011215947 [0,1,0,0,0,0|1,1,1]=4 1089 B17R2.556 CCC(=O)CSc1ccc2ncccc2c1 62a_100011215947_100000747405 [0,1,0,0,0,0|1,1,1]=4 1090 B17R2.556 CCC(=O)CSc1cnc2ccccc2c1 62a_100000747405_100000737414 [0,1,0,0,0,0|1,1,1]=4 1091 B17R2.556 CCC(=O)NCc1ccc2ccccc2c1 11a_100000739491_100000210414 [0,1,0,0,0,0|2,0,1]=4 1092 B17R2.556 CCC(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100000210414 [0,1,0,0,0,0|2,0,1]=4 1093 B17R2.556 CCC(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100000210414 [0,1,0,0,0,0|2,0,1]=4 1094 B17R2.556 CCC(=O)NCc1ccc2ccccc2c1 527a_100000739491_100000210414 [0,1,0,0,0,0|2,0,1]=4 1095 B17R2.556 CCC(=O)NNc1ccc2ccccc2c1 22a_100016987534_100000210414 [0,1,0,0,0,0|2,0,1]=4 1096 B17R2.556 CCC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000748023 [0,1,0,0,0,0|1,0,0]=2 1097 B17R2.556 CCC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000748023 [0,1,0,0,0,0|1,0,0]=2 1098 B17R2.556 CCC(C)CNc1ccc2ccccc2n1 27a_100020588543_100011291633 [0,1,0,0,0,0|2,0,0]=3 1099 B17R2.556 CCC(C)CNc1ccc2cccnc2c1 34a_100102887122_100000748023 [0,1,0,0,0,0|2,0,0]=3 1100 B17R2.556 CCC(C)CNc1ccc2cccnc2n1 27a_100020588543_100000075685 [0,1,0,0,0,0|3,0,0]=4 1101 B17R2.556 CCC(C)CNc1ccc2ccncc2n1 27a_100020588543_100000020162 [0,1,0,0,0,0|3,0,0]=4 1102 B17R2.556 CCC(C)CNc1ccc2cnccc2c1 34a_100000039641_100000748023 [0,1,0,0,0,0|2,0,0]=3 1103 B17R2.556 CCC(C)CNc1ccc2cncnc2c1 27a_100020588543_100010185614 [0,1,0,0,0,0|3,0,0]=4 1104 B17R2.556 CCC(C)CNc1ccc2ncccc2c1 34a_100011198106_100000748023 [0,1,0,0,0,0|2,0,0]=3 1105 B17R2.556 CCC(C)CNc1ccc2ncccc2n1 27a_100020588543_100000073381 [0,1,0,0,0,0|3,0,0]=4 1106 B17R2.556 CCC(C)CNc1ccc2nccnc2c1 27a_100020588543_100011219451 [0,1,0,0,0,0|3,0,0]=4 1107 B17R2.556 CCC(C)CNc1ccc2nccnc2c1 34a_100011219565_100000748023 [0,1,0,0,0,0|3,0,0]=4 1108 B17R2.556 CCC(C)CNc1cnc2ccccc2n1 27a_100020588543_100000756483 [0,1,0,0,0,0|3,0,0]=4 1109 B17R2.556 CCC(C)CNc1ncc2ccccc2n1 27a_100020588543_100000097389 [0,1,0,0,0,0|3,0,0]=4 1110 B17R2.556 CCC(C)COc1ccc2ccccc2c1 34a_100000185828_100000748023 [0,1,0,0,0,0|0,0,0]=1 1111 B17R2.556 CCC(C)COc1ccc2ccccc2c1 7a_100000185828_100000748023 [0,1,0,0,0,0|0,0,0]=1 1112 B17R2.556 CCC(C)COc1ccc2cccnc2c1 34a_100011216045_100000748023 [0,1,0,0,0,0|1,0,0]=2 1113 B17R2.556 CCC(C)COc1ccc2ccncc2c1 7a_100000752006_100000748023 [0,1,0,0,0,0|1,0,0]=2 1114 B17R2.556 CCC(C)COc1ccc2cnccc2c1 34a_100000046372_100000748023 [0,1,0,0,0,0|1,0,0]=2 1115 B17R2.556 CCC(C)COc1ccc2cnccc2c1 7a_100000046372_100000748023 [0,1,0,0,0,0|1,0,0]=2 1116 B17R2.556 CCC(C)COc1ccc2ncccc2c1 34a_100011215586_100000748023 [0,1,0,0,0,0|1,0,0]=2 1117 B17R2.556 CCC(C)COc1ccc2ncccc2c1 7a_100011215586_100000748023 [0,1,0,0,0,0|1,0,0]=2 1118 B17R2.556 CCC(C)COc1ccc2nccnc2c1 34a_100000694412_100000748023 [0,1,0,0,0,0|2,0,0]=3 1119 B17R2.556 CCC(C)COc1cnc2ccccc2c1 34a_100011934006_100000748023 [0,1,0,0,0,0|1,0,0]=2 1120 B17R2.556 CCC(C)COc1cnc2ccccc2c1 7a_100011934006_100000748023 [0,1,0,0,0,0|1,0,0]=2 1121 B17R2.556 CCC(C)CSc1cc2ccccc2cn1 62a_100000748023_100000047361 [0,1,0,0,0,0|1,1,0]=3 1122 B17R2.556 CCC(C)CSc1cc2ccccc2cn1 62a_100009816522_100000748023 [0,1,0,0,0,0|1,1,0]=3 1123 B17R2.556 CCC(C)CSc1ccc2ccccc2c1 62a_100000748023_100000233703 [0,1,0,0,0,0|0,1,0]=2 1124 B17R2.556 CCC(C)CSc1ccc2ccccc2n1 62a_100000748023_100011291633 [0,1,0,0,0,0|1,1,0]=3 1125 B17R2.556 CCC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000748023 [0,1,0,0,0,0|1,1,0]=3 1126 B17R2.556 CCC(C)CSc1ccc2cccnc2c1 62a_100000748023_100009816655 [0,1,0,0,0,0|1,1,0]=3 1127 B17R2.556 CCC(C)CSc1ccc2cccnc2n1 62a_100000075685_100000748023 [0,1,0,0,0,0|2,1,0]=4 1128 B17R2.556 CCC(C)CSc1ccc2cccnc2n1 62a_100000748023_100000075685 [0,1,0,0,0,0|2,1,0]=4 1129 B17R2.556 CCC(C)CSc1ccc2ccncc2c1 62a_100000686496_100000748023 [0,1,0,0,0,0|1,1,0]=3 1130 B17R2.556 CCC(C)CSc1ccc2ccncc2c1 62a_100000748023_100000686496 [0,1,0,0,0,0|1,1,0]=3 1131 B17R2.556 CCC(C)CSc1ccc2ccncc2n1 62a_100000748023_100000020162 [0,1,0,0,0,0|2,1,0]=4 1132 B17R2.556 CCC(C)CSc1ccc2cnccc2c1 62a_100000748023_100009816743 [0,1,0,0,0,0|1,1,0]=3 1133 B17R2.556 CCC(C)CSc1ccc2cnccc2c1 62a_100009816743_100000748023 [0,1,0,0,0,0|1,1,0]=3 1134 B17R2.556 CCC(C)CSc1ccc2cncnc2c1 62a_100000748023_100010185614 [0,1,0,0,0,0|2,1,0]=4 1135 B17R2.556 CCC(C)CSc1ccc2cncnc2c1 62a_100010185614_100000748023 [0,1,0,0,0,0|2,1,0]=4 1136 B17R2.556 CCC(C)CSc1ccc2cnncc2c1 62a_100000748023_100010198781 [0,1,0,0,0,0|2,1,0]=4 1137 B17R2.556 CCC(C)CSc1ccc2cnncc2c1 62a_100010198781_100000748023 [0,1,0,0,0,0|2,1,0]=4 1138 B17R2.556 CCC(C)CSc1ccc2ncccc2c1 62a_100000748023_100011215947 [0,1,0,0,0,0|1,1,0]=3 1139 B17R2.556 CCC(C)CSc1ccc2ncccc2c1 62a_100011215947_100000748023 [0,1,0,0,0,0|1,1,0]=3 1140 B17R2.556 CCC(C)CSc1ccc2ncccc2n1 62a_100000748023_100000073381 [0,1,0,0,0,0|2,1,0]=4 1141 B17R2.556 CCC(C)CSc1ccc2nccnc2c1 62a_100000748023_100011219451 [0,1,0,0,0,0|2,1,0]=4 1142 B17R2.556 CCC(C)CSc1ccc2nccnc2c1 62a_100011219451_100000748023 [0,1,0,0,0,0|2,1,0]=4 1143 B17R2.556 CCC(C)CSc1ccc2ncncc2c1 62a_100000748023_100009989443 [0,1,0,0,0,0|2,1,0]=4 1144 B17R2.556 CCC(C)CSc1ccc2ncncc2c1 62a_100009989443_100000748023 [0,1,0,0,0,0|2,1,0]=4 1145 B17R2.556 CCC(C)CSc1ccc2nnccc2c1 62a_100000748023_100010209549 [0,1,0,0,0,0|2,1,0]=4 1146 B17R2.556 CCC(C)CSc1ccc2nnccc2c1 62a_100010209549_100000748023 [0,1,0,0,0,0|2,1,0]=4 1147 B17R2.556 CCC(C)CSc1cnc2ccccc2c1 62a_100000748023_100000737414 [0,1,0,0,0,0|1,1,0]=3 1148 B17R2.556 CCC(C)CSc1cnc2ccccc2n1 62a_100000748023_100000756483 [0,1,0,0,0,0|2,1,0]=4 1149 B17R2.556 CCC(C)CSc1cnc2ccccc2n1 62a_100000756483_100000748023 [0,1,0,0,0,0|2,1,0]=4 1150 B17R2.556 CCC(C)CSc1cnc2cccnc2c1 62a_100000748023_100010246316 [0,1,0,0,0,0|2,1,0]=4 1151 B17R2.556 CCC(C)CSc1cnc2cccnc2c1 62a_100010246316_100000748023 [0,1,0,0,0,0|2,1,0]=4 1152 B17R2.556 CCC(C)CSc1ncc2ccccc2n1 62a_100000748023_100000097389 [0,1,0,0,0,0|2,1,0]=4 1153 B17R2.556 CCC(C)NCc1cc2ccccc2cn1 207a_100000209981_100000059776 [0,1,0,0,0,0|3,0,0]=4 1154 B17R2.556 CCC(C)NCc1cc2ccccc2cn1 2230a_100000209981_100009869231 [0,1,0,0,0,0|3,0,0]=4 1155 B17R2.556 CCC(C)NCc1cc2ccccc2cn1 270004a_100000209981_100000059776 [0,1,0,0,0,0|3,0,0]=4 1156 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 207a_100000209981_100000211584 [0,1,0,0,0,0|2,0,0]=3 1157 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 2230a_100000209981_100011216711 [0,1,0,0,0,0|2,0,0]=3 1158 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000758301 [0,1,0,0,0,0|2,0,0]=3 1159 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 270004a_100000209981_100000211584 [0,1,0,0,0,0|2,0,0]=3 1160 B17R2.556 CCC(C)NCc1ccc2ccccc2c1 34a_100000739491_100011215416 [0,1,0,0,0,0|2,0,0]=3 1161 B17R2.556 CCC(C)NCc1ccc2ccccc2n1 207a_100000209981_100000759686 [0,1,0,0,0,0|3,0,0]=4 1162 B17R2.556 CCC(C)NCc1ccc2ccccc2n1 2230a_100000209981_100000737579 [0,1,0,0,0,0|3,0,0]=4 1163 B17R2.556 CCC(C)NCc1ccc2ccccc2n1 270004a_100000209981_100000759686 [0,1,0,0,0,0|3,0,0]=4 1164 B17R2.556 CCC(C)NCc1ccc2cccnc2c1 207a_100000209981_100011784159 [0,1,0,0,0,0|3,0,0]=4 1165 B17R2.556 CCC(C)NCc1ccc2cccnc2c1 270004a_100000209981_100011784159 [0,1,0,0,0,0|3,0,0]=4 1166 B17R2.556 CCC(C)NCc1ccc2cnccc2c1 207a_100000209981_100000068276 [0,1,0,0,0,0|3,0,0]=4 1167 B17R2.556 CCC(C)NCc1ccc2cnccc2c1 2230a_100000209981_100020605334 [0,1,0,0,0,0|3,0,0]=4 1168 B17R2.556 CCC(C)NCc1ccc2cnccc2c1 270004a_100000209981_100000068276 [0,1,0,0,0,0|3,0,0]=4 1169 B17R2.556 CCC(C)NCc1ccc2ncccc2c1 207a_100000209981_100000211315 [0,1,0,0,0,0|3,0,0]=4 1170 B17R2.556 CCC(C)NCc1ccc2ncccc2c1 2230a_100000209981_100000703657 [0,1,0,0,0,0|3,0,0]=4 1171 B17R2.556 CCC(C)NCc1ccc2ncccc2c1 270004a_100000209981_100000211315 [0,1,0,0,0,0|3,0,0]=4 1172 B17R2.556 CCC(C)NCc1ccc2ncccc2c1 34a_100000238500_100011215416 [0,1,0,0,0,0|3,0,0]=4 1173 B17R2.556 CCC(C)NCc1cnc2ccccc2c1 207a_100000209981_100000750898 [0,1,0,0,0,0|3,0,0]=4 1174 B17R2.556 CCC(C)NCc1cnc2ccccc2c1 270004a_100000209981_100000750898 [0,1,0,0,0,0|3,0,0]=4 1175 B17R2.556 CCC(C)NCc1cnc2ccccc2c1 34a_100000742225_100011215416 [0,1,0,0,0,0|3,0,0]=4 1176 B17R2.556 CCC(C)OCc1cc2ccccc2cn1 7a_100000210228_100009869231 [0,1,0,0,0,0|3,0,0]=4 1177 B17R2.556 CCC(C)OCc1ccc2ccccc2c1 34a_100011215330_100011215416 [0,1,0,0,0,0|2,0,0]=3 1178 B17R2.556 CCC(C)OCc1ccc2ccccc2c1 7a_100000210228_100011216711 [0,1,0,0,0,0|2,0,0]=3 1179 B17R2.556 CCC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000758301 [0,1,0,0,0,0|2,0,0]=3 1180 B17R2.556 CCC(C)OCc1ccc2ccccc2n1 7a_100000210228_100000737579 [0,1,0,0,0,0|3,0,0]=4 1181 B17R2.556 CCC(C)OCc1ccc2cnccc2c1 7a_100000210228_100020605334 [0,1,0,0,0,0|3,0,0]=4 1182 B17R2.556 CCC(C)OCc1ccc2ncccc2c1 34a_100011315636_100011215416 [0,1,0,0,0,0|3,0,0]=4 1183 B17R2.556 CCC(C)OCc1ccc2ncccc2c1 7a_100000210228_100000703657 [0,1,0,0,0,0|3,0,0]=4 1184 B17R2.556 CCC(C)OCc1cnc2ccccc2c1 34a_100011258773_100011215416 [0,1,0,0,0,0|3,0,0]=4 1185 B17R2.556 CCC(C)SCc1cc2ccccc2cn1 62a_100000758301_100009869231 [0,1,0,0,0,0|3,0,0]=4 1186 B17R2.556 CCC(C)SCc1cc2ccccc2cn1 62a_100009869231_100000758301 [0,1,0,0,0,0|3,0,0]=4 1187 B17R2.556 CCC(C)SCc1ccc2ccccc2c1 62a_100000758301_100011216711 [0,1,0,0,0,0|2,0,0]=3 1188 B17R2.556 CCC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000758301 [0,1,0,0,0,0|2,0,0]=3 1189 B17R2.556 CCC(C)SCc1ccc2ccccc2n1 62a_100000737579_100000758301 [0,1,0,0,0,0|3,0,0]=4 1190 B17R2.556 CCC(C)SCc1ccc2ccccc2n1 62a_100000758301_100000737579 [0,1,0,0,0,0|3,0,0]=4 1191 B17R2.556 CCC(C)SCc1ccc2cnccc2c1 62a_100000758301_100020605334 [0,1,0,0,0,0|3,0,0]=4 1192 B17R2.556 CCC(C)SCc1ccc2cnccc2c1 62a_100020605334_100000758301 [0,1,0,0,0,0|3,0,0]=4 1193 B17R2.556 CCC(C)SCc1ccc2ncccc2c1 62a_100000703657_100000758301 [0,1,0,0,0,0|3,0,0]=4 1194 B17R2.556 CCC(C)SCc1ccc2ncccc2c1 62a_100000758301_100000703657 [0,1,0,0,0,0|3,0,0]=4 1195 B17R2.556 CCC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011218378 [0,1,0,0,0,0|1,0,0]=2 1196 B17R2.556 CCC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011218378 [0,1,0,0,0,0|1,0,0]=2 1197 B17R2.556 CCC(O)CNc1ccc2ccccc2n1 27a_100011218483_100011291633 [0,1,0,0,0,0|2,0,0]=3 1198 B17R2.556 CCC(O)CNc1ccc2cccnc2c1 34a_100102887122_100011218378 [0,1,0,0,0,0|2,0,0]=3 1199 B17R2.556 CCC(O)CNc1ccc2cccnc2n1 27a_100011218483_100000075685 [0,1,0,0,0,0|3,0,0]=4 1200 B17R2.556 CCC(O)CNc1ccc2ccncc2n1 27a_100011218483_100000020162 [0,1,0,0,0,0|3,0,0]=4 1201 B17R2.556 CCC(O)CNc1ccc2cnccc2c1 34a_100000039641_100011218378 [0,1,0,0,0,0|2,0,0]=3 1202 B17R2.556 CCC(O)CNc1ccc2cncnc2c1 27a_100011218483_100010185614 [0,1,0,0,0,0|3,0,0]=4 1203 B17R2.556 CCC(O)CNc1ccc2ncccc2c1 34a_100011198106_100011218378 [0,1,0,0,0,0|2,0,0]=3 1204 B17R2.556 CCC(O)CNc1ccc2ncccc2n1 27a_100011218483_100000073381 [0,1,0,0,0,0|3,0,0]=4 1205 B17R2.556 CCC(O)CNc1ccc2nccnc2c1 27a_100011218483_100011219451 [0,1,0,0,0,0|3,0,0]=4 1206 B17R2.556 CCC(O)CNc1ccc2nccnc2c1 34a_100011219565_100011218378 [0,1,0,0,0,0|3,0,0]=4 1207 B17R2.556 CCC(O)CNc1cnc2ccccc2n1 27a_100011218483_100000756483 [0,1,0,0,0,0|3,0,0]=4 1208 B17R2.556 CCC(O)CNc1ncc2ccccc2n1 27a_100011218483_100000097389 [0,1,0,0,0,0|3,0,0]=4 1209 B17R2.556 CCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218378 [0,1,0,0,0,0|0,0,0]=1 1210 B17R2.556 CCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218378 [0,1,0,0,0,0|0,0,0]=1 1211 B17R2.556 CCC(O)COc1ccc2cccnc2c1 34a_100011216045_100011218378 [0,1,0,0,0,0|1,0,0]=2 1212 B17R2.556 CCC(O)COc1ccc2ccncc2c1 7a_100000752006_100011218378 [0,1,0,0,0,0|1,0,0]=2 1213 B17R2.556 CCC(O)COc1ccc2cnccc2c1 34a_100000046372_100011218378 [0,1,0,0,0,0|1,0,0]=2 1214 B17R2.556 CCC(O)COc1ccc2cnccc2c1 7a_100000046372_100011218378 [0,1,0,0,0,0|1,0,0]=2 1215 B17R2.556 CCC(O)COc1ccc2ncccc2c1 34a_100011215586_100011218378 [0,1,0,0,0,0|1,0,0]=2 1216 B17R2.556 CCC(O)COc1ccc2ncccc2c1 7a_100011215586_100011218378 [0,1,0,0,0,0|1,0,0]=2 1217 B17R2.556 CCC(O)COc1ccc2nccnc2c1 34a_100000694412_100011218378 [0,1,0,0,0,0|2,0,0]=3 1218 B17R2.556 CCC(O)COc1cnc2ccccc2c1 34a_100011934006_100011218378 [0,1,0,0,0,0|1,0,0]=2 1219 B17R2.556 CCC(O)COc1cnc2ccccc2c1 7a_100011934006_100011218378 [0,1,0,0,0,0|1,0,0]=2 1220 B17R2.556 CCC(O)CSc1cc2ccccc2cn1 62a_100009816522_100011218378 [0,1,0,0,0,0|1,1,0]=3 1221 B17R2.556 CCC(O)CSc1cc2ccccc2cn1 62a_100011218378_100000047361 [0,1,0,0,0,0|1,1,0]=3 1222 B17R2.556 CCC(O)CSc1ccc2ccccc2c1 62a_100011218378_100000233703 [0,1,0,0,0,0|0,1,0]=2 1223 B17R2.556 CCC(O)CSc1ccc2ccccc2n1 62a_100011218378_100011291633 [0,1,0,0,0,0|1,1,0]=3 1224 B17R2.556 CCC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011218378 [0,1,0,0,0,0|1,1,0]=3 1225 B17R2.556 CCC(O)CSc1ccc2cccnc2c1 62a_100011218378_100009816655 [0,1,0,0,0,0|1,1,0]=3 1226 B17R2.556 CCC(O)CSc1ccc2cccnc2n1 62a_100000075685_100011218378 [0,1,0,0,0,0|2,1,0]=4 1227 B17R2.556 CCC(O)CSc1ccc2cccnc2n1 62a_100011218378_100000075685 [0,1,0,0,0,0|2,1,0]=4 1228 B17R2.556 CCC(O)CSc1ccc2ccncc2c1 62a_100000686496_100011218378 [0,1,0,0,0,0|1,1,0]=3 1229 B17R2.556 CCC(O)CSc1ccc2ccncc2c1 62a_100011218378_100000686496 [0,1,0,0,0,0|1,1,0]=3 1230 B17R2.556 CCC(O)CSc1ccc2ccncc2n1 62a_100011218378_100000020162 [0,1,0,0,0,0|2,1,0]=4 1231 B17R2.556 CCC(O)CSc1ccc2cnccc2c1 62a_100009816743_100011218378 [0,1,0,0,0,0|1,1,0]=3 1232 B17R2.556 CCC(O)CSc1ccc2cnccc2c1 62a_100011218378_100009816743 [0,1,0,0,0,0|1,1,0]=3 1233 B17R2.556 CCC(O)CSc1ccc2cncnc2c1 62a_100010185614_100011218378 [0,1,0,0,0,0|2,1,0]=4 1234 B17R2.556 CCC(O)CSc1ccc2cncnc2c1 62a_100011218378_100010185614 [0,1,0,0,0,0|2,1,0]=4 1235 B17R2.556 CCC(O)CSc1ccc2cnncc2c1 62a_100010198781_100011218378 [0,1,0,0,0,0|2,1,0]=4 1236 B17R2.556 CCC(O)CSc1ccc2cnncc2c1 62a_100011218378_100010198781 [0,1,0,0,0,0|2,1,0]=4 1237 B17R2.556 CCC(O)CSc1ccc2ncccc2c1 62a_100011215947_100011218378 [0,1,0,0,0,0|1,1,0]=3 1238 B17R2.556 CCC(O)CSc1ccc2ncccc2c1 62a_100011218378_100011215947 [0,1,0,0,0,0|1,1,0]=3 1239 B17R2.556 CCC(O)CSc1ccc2ncccc2n1 62a_100011218378_100000073381 [0,1,0,0,0,0|2,1,0]=4 1240 B17R2.556 CCC(O)CSc1ccc2nccnc2c1 62a_100011218378_100011219451 [0,1,0,0,0,0|2,1,0]=4 1241 B17R2.556 CCC(O)CSc1ccc2nccnc2c1 62a_100011219451_100011218378 [0,1,0,0,0,0|2,1,0]=4 1242 B17R2.556 CCC(O)CSc1ccc2ncncc2c1 62a_100009989443_100011218378 [0,1,0,0,0,0|2,1,0]=4 1243 B17R2.556 CCC(O)CSc1ccc2ncncc2c1 62a_100011218378_100009989443 [0,1,0,0,0,0|2,1,0]=4 1244 B17R2.556 CCC(O)CSc1ccc2nnccc2c1 62a_100010209549_100011218378 [0,1,0,0,0,0|2,1,0]=4 1245 B17R2.556 CCC(O)CSc1ccc2nnccc2c1 62a_100011218378_100010209549 [0,1,0,0,0,0|2,1,0]=4 1246 B17R2.556 CCC(O)CSc1cnc2ccccc2c1 62a_100011218378_100000737414 [0,1,0,0,0,0|1,1,0]=3 1247 B17R2.556 CCC(O)CSc1cnc2ccccc2n1 62a_100000756483_100011218378 [0,1,0,0,0,0|2,1,0]=4 1248 B17R2.556 CCC(O)CSc1cnc2ccccc2n1 62a_100011218378_100000756483 [0,1,0,0,0,0|2,1,0]=4 1249 B17R2.556 CCC(O)CSc1cnc2cccnc2c1 62a_100010246316_100011218378 [0,1,0,0,0,0|2,1,0]=4 1250 B17R2.556 CCC(O)CSc1cnc2cccnc2c1 62a_100011218378_100010246316 [0,1,0,0,0,0|2,1,0]=4 1251 B17R2.556 CCC(O)CSc1ncc2ccccc2n1 62a_100011218378_100000097389 [0,1,0,0,0,0|2,1,0]=4 1252 B17R2.556 CC[C@H](C)CNc1ccc2ccccc2c1 34a_100000211940_100009816398 [0,1,0,0,0,0|1,0,0]=2 1253 B17R2.556 CC[C@H](C)CNc1ccc2ccccc2c1 7a_100000211940_100009816398 [0,1,0,0,0,0|1,0,0]=2 1254 B17R2.556 CC[C@H](C)CNc1ccc2cccnc2c1 34a_100102887122_100009816398 [0,1,0,0,0,0|2,0,0]=3 1255 B17R2.556 CC[C@H](C)CNc1ccc2cnccc2c1 34a_100000039641_100009816398 [0,1,0,0,0,0|2,0,0]=3 1256 B17R2.556 CC[C@H](C)CNc1ccc2ncccc2c1 34a_100011198106_100009816398 [0,1,0,0,0,0|2,0,0]=3 1257 B17R2.556 CC[C@H](C)CNc1ccc2nccnc2c1 34a_100011219565_100009816398 [0,1,0,0,0,0|3,0,0]=4 1258 B17R2.556 CC[C@H](C)COc1ccc2ccccc2c1 34a_100000185828_100009816398 [0,1,0,0,0,0|0,0,0]=1 1259 B17R2.556 CC[C@H](C)COc1ccc2ccccc2c1 7a_100000185828_100009816398 [0,1,0,0,0,0|0,0,0]=1 1260 B17R2.556 CC[C@H](C)COc1ccc2cccnc2c1 34a_100011216045_100009816398 [0,1,0,0,0,0|1,0,0]=2 1261 B17R2.556 CC[C@H](C)COc1ccc2ccncc2c1 7a_100000752006_100009816398 [0,1,0,0,0,0|1,0,0]=2 1262 B17R2.556 CC[C@H](C)COc1ccc2cnccc2c1 34a_100000046372_100009816398 [0,1,0,0,0,0|1,0,0]=2 1263 B17R2.556 CC[C@H](C)COc1ccc2cnccc2c1 7a_100000046372_100009816398 [0,1,0,0,0,0|1,0,0]=2 1264 B17R2.556 CC[C@H](C)COc1ccc2ncccc2c1 34a_100011215586_100009816398 [0,1,0,0,0,0|1,0,0]=2 1265 B17R2.556 CC[C@H](C)COc1ccc2ncccc2c1 7a_100011215586_100009816398 [0,1,0,0,0,0|1,0,0]=2 1266 B17R2.556 CC[C@H](C)COc1ccc2nccnc2c1 34a_100000694412_100009816398 [0,1,0,0,0,0|2,0,0]=3 1267 B17R2.556 CC[C@H](C)COc1cnc2ccccc2c1 34a_100011934006_100009816398 [0,1,0,0,0,0|1,0,0]=2 1268 B17R2.556 CC[C@H](C)COc1cnc2ccccc2c1 7a_100011934006_100009816398 [0,1,0,0,0,0|1,0,0]=2 1269 B17R2.556 CC[C@H](C)CSc1cc2ccccc2cn1 62a_100009816398_100000047361 [0,1,0,0,0,0|1,1,0]=3 1270 B17R2.556 CC[C@H](C)CSc1cc2ccccc2cn1 62a_100009816522_100009816398 [0,1,0,0,0,0|1,1,0]=3 1271 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2c1 62a_100009816398_100000233703 [0,1,0,0,0,0|0,1,0]=2 1272 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2n1 62a_100009816398_100011291633 [0,1,0,0,0,0|1,1,0]=3 1273 B17R2.556 CC[C@H](C)CSc1ccc2ccccc2n1 62a_100011291633_100009816398 [0,1,0,0,0,0|1,1,0]=3 1274 B17R2.556 CC[C@H](C)CSc1ccc2cccnc2c1 62a_100009816398_100009816655 [0,1,0,0,0,0|1,1,0]=3 1275 B17R2.556 CC[C@H](C)CSc1ccc2cccnc2n1 62a_100000075685_100009816398 [0,1,0,0,0,0|2,1,0]=4 1276 B17R2.556 CC[C@H](C)CSc1ccc2cccnc2n1 62a_100009816398_100000075685 [0,1,0,0,0,0|2,1,0]=4 1277 B17R2.556 CC[C@H](C)CSc1ccc2ccncc2c1 62a_100000686496_100009816398 [0,1,0,0,0,0|1,1,0]=3 1278 B17R2.556 CC[C@H](C)CSc1ccc2ccncc2c1 62a_100009816398_100000686496 [0,1,0,0,0,0|1,1,0]=3 1279 B17R2.556 CC[C@H](C)CSc1ccc2ccncc2n1 62a_100009816398_100000020162 [0,1,0,0,0,0|2,1,0]=4 1280 B17R2.556 CC[C@H](C)CSc1ccc2cnccc2c1 62a_100009816398_100009816743 [0,1,0,0,0,0|1,1,0]=3 1281 B17R2.556 CC[C@H](C)CSc1ccc2cnccc2c1 62a_100009816743_100009816398 [0,1,0,0,0,0|1,1,0]=3 1282 B17R2.556 CC[C@H](C)CSc1ccc2cncnc2c1 62a_100009816398_100010185614 [0,1,0,0,0,0|2,1,0]=4 1283 B17R2.556 CC[C@H](C)CSc1ccc2cncnc2c1 62a_100010185614_100009816398 [0,1,0,0,0,0|2,1,0]=4 1284 B17R2.556 CC[C@H](C)CSc1ccc2cnncc2c1 62a_100009816398_100010198781 [0,1,0,0,0,0|2,1,0]=4 1285 B17R2.556 CC[C@H](C)CSc1ccc2cnncc2c1 62a_100010198781_100009816398 [0,1,0,0,0,0|2,1,0]=4 1286 B17R2.556 CC[C@H](C)CSc1ccc2ncccc2c1 62a_100009816398_100011215947 [0,1,0,0,0,0|1,1,0]=3 1287 B17R2.556 CC[C@H](C)CSc1ccc2ncccc2c1 62a_100011215947_100009816398 [0,1,0,0,0,0|1,1,0]=3 1288 B17R2.556 CC[C@H](C)CSc1ccc2ncccc2n1 62a_100009816398_100000073381 [0,1,0,0,0,0|2,1,0]=4 1289 B17R2.556 CC[C@H](C)CSc1ccc2nccnc2c1 62a_100009816398_100011219451 [0,1,0,0,0,0|2,1,0]=4 1290 B17R2.556 CC[C@H](C)CSc1ccc2nccnc2c1 62a_100011219451_100009816398 [0,1,0,0,0,0|2,1,0]=4 1291 B17R2.556 CC[C@H](C)CSc1ccc2ncncc2c1 62a_100009816398_100009989443 [0,1,0,0,0,0|2,1,0]=4 1292 B17R2.556 CC[C@H](C)CSc1ccc2ncncc2c1 62a_100009989443_100009816398 [0,1,0,0,0,0|2,1,0]=4 1293 B17R2.556 CC[C@H](C)CSc1ccc2nnccc2c1 62a_100009816398_100010209549 [0,1,0,0,0,0|2,1,0]=4 1294 B17R2.556 CC[C@H](C)CSc1ccc2nnccc2c1 62a_100010209549_100009816398 [0,1,0,0,0,0|2,1,0]=4 1295 B17R2.556 CC[C@H](C)CSc1cnc2ccccc2c1 62a_100009816398_100000737414 [0,1,0,0,0,0|1,1,0]=3 1296 B17R2.556 CC[C@H](C)CSc1cnc2ccccc2n1 62a_100000756483_100009816398 [0,1,0,0,0,0|2,1,0]=4 1297 B17R2.556 CC[C@H](C)CSc1cnc2ccccc2n1 62a_100009816398_100000756483 [0,1,0,0,0,0|2,1,0]=4 1298 B17R2.556 CC[C@H](C)CSc1cnc2cccnc2c1 62a_100009816398_100010246316 [0,1,0,0,0,0|2,1,0]=4 1299 B17R2.556 CC[C@H](C)CSc1cnc2cccnc2c1 62a_100010246316_100009816398 [0,1,0,0,0,0|2,1,0]=4 1300 B17R2.556 CC[C@H](C)CSc1ncc2ccccc2n1 62a_100009816398_100000097389 [0,1,0,0,0,0|2,1,0]=4 1301 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 11a_106832991635_100000743016 [0,1,0,0,0,0|2,0,1]=4 1302 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 1626a_100102657272_100000743016 [0,1,0,0,0,0|2,0,1]=4 1303 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 240690a_100102657272_100000743016 [0,1,0,0,0,0|2,0,1]=4 1304 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 527a_100102657272_100000743016 [0,1,0,0,0,0|2,0,1]=4 1305 B17R2.556 CNC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000183359 [0,1,0,0,0,0|2,0,1]=4 1306 B17R2.556 CNC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000183359 [0,1,0,0,0,0|2,0,1]=4 1307 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 11a_106832991635_100000185456 [0,1,0,0,0,0|1,0,1]=3 1308 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 1626a_100102657272_100000185456 [0,1,0,0,0,0|1,0,1]=3 1309 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 240690a_100102657272_100000185456 [0,1,0,0,0,0|1,0,1]=3 1310 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000183359 [0,1,0,0,0,0|1,0,1]=3 1311 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 527a_100102657272_100000185456 [0,1,0,0,0,0|1,0,1]=3 1312 B17R2.556 CNC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000183359 [0,1,0,0,0,0|1,0,1]=3 1313 B17R2.556 CNC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000183359 [0,1,0,0,0,0|2,0,1]=4 1314 B17R2.556 CNC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000183359 [0,1,0,0,0,0|2,0,1]=4 1315 B17R2.556 CNC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000183359 [0,1,0,0,0,0|2,0,1]=4 1316 B17R2.556 CNC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000183359 [0,1,0,0,0,0|2,0,1]=4 1317 B17R2.556 CNC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000183359 [0,1,0,0,0,0|2,0,1]=4 1318 B17R2.556 CNC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000183359 [0,1,0,0,0,0|2,0,1]=4 1319 B17R2.556 CNC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000183359 [0,1,0,0,0,0|2,0,1]=4 1320 B17R2.556 CNC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000183359 [0,1,0,0,0,0|2,0,1]=4 1321 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 11a_106832991635_100000181792 [0,1,0,0,0,0|1,1,1]=4 1322 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 1626a_100102657272_100000181792 [0,1,0,0,0,0|1,1,1]=4 1323 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 240690a_100102657272_100000181792 [0,1,0,0,0,0|1,1,1]=4 1324 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 527a_100102657272_100000181792 [0,1,0,0,0,0|1,1,1]=4 1325 B17R2.556 CNC(=O)CSc1ccc2ccccc2c1 62a_100000183359_100000233703 [0,1,0,0,0,0|1,1,1]=4 1326 B17R2.556 COC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000747449 [0,1,0,0,0,0|2,0,1]=4 1327 B17R2.556 COC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000747449 [0,1,0,0,0,0|2,0,1]=4 1328 B17R2.556 COC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000747449 [0,1,0,0,0,0|1,0,1]=3 1329 B17R2.556 COC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000747449 [0,1,0,0,0,0|1,0,1]=3 1330 B17R2.556 COC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000747449 [0,1,0,0,0,0|2,0,1]=4 1331 B17R2.556 COC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000747449 [0,1,0,0,0,0|2,0,1]=4 1332 B17R2.556 COC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000747449 [0,1,0,0,0,0|2,0,1]=4 1333 B17R2.556 COC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000747449 [0,1,0,0,0,0|2,0,1]=4 1334 B17R2.556 COC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000747449 [0,1,0,0,0,0|2,0,1]=4 1335 B17R2.556 COC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000747449 [0,1,0,0,0,0|2,0,1]=4 1336 B17R2.556 COC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000747449 [0,1,0,0,0,0|2,0,1]=4 1337 B17R2.556 COC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000747449 [0,1,0,0,0,0|2,0,1]=4 1338 B17R2.556 COC(=O)CSc1ccc2ccccc2c1 62a_100000747449_100000233703 [0,1,0,0,0,0|1,1,1]=4 1339 B17R2.556 COC(C)SCc1ccc2ccccc2c1 62a_100009879195_100011216711 [0,1,0,0,0,0|3,0,0]=4 1340 B17R2.556 COC(C)SCc1ccc2ccccc2c1 62a_100011216711_100009879195 [0,1,0,0,0,0|3,0,0]=4 1341 B17R2.556 CO[C@H](C)CNc1ccc2ccccc2n1 27a_100020591295_100011291633 [0,1,0,0,0,0|3,0,0]=4 1342 B17R2.556 C[C@@H](CO)CNc1ccc2ccccc2c1 34a_100000211940_100000059175 [0,1,0,0,0,0|2,0,0]=3 1343 B17R2.556 C[C@@H](CO)CNc1ccc2ccccc2c1 7a_100000211940_100000059175 [0,1,0,0,0,0|2,0,0]=3 1344 B17R2.556 C[C@@H](CO)CNc1ccc2cccnc2c1 34a_100102887122_100000059175 [0,1,0,0,0,0|3,0,0]=4 1345 B17R2.556 C[C@@H](CO)CNc1ccc2cnccc2c1 34a_100000039641_100000059175 [0,1,0,0,0,0|3,0,0]=4 1346 B17R2.556 C[C@@H](CO)CNc1ccc2ncccc2c1 34a_100011198106_100000059175 [0,1,0,0,0,0|3,0,0]=4 1347 B17R2.556 C[C@@H](CO)COc1ccc2ccccc2c1 34a_100000185828_100000059175 [0,1,0,0,0,0|1,0,0]=2 1348 B17R2.556 C[C@@H](CO)COc1ccc2ccccc2c1 7a_100000185828_100000059175 [0,1,0,0,0,0|1,0,0]=2 1349 B17R2.556 C[C@@H](CO)COc1ccc2cccnc2c1 34a_100011216045_100000059175 [0,1,0,0,0,0|2,0,0]=3 1350 B17R2.556 C[C@@H](CO)COc1ccc2ccncc2c1 7a_100000752006_100000059175 [0,1,0,0,0,0|2,0,0]=3 1351 B17R2.556 C[C@@H](CO)COc1ccc2cnccc2c1 34a_100000046372_100000059175 [0,1,0,0,0,0|2,0,0]=3 1352 B17R2.556 C[C@@H](CO)COc1ccc2cnccc2c1 7a_100000046372_100000059175 [0,1,0,0,0,0|2,0,0]=3 1353 B17R2.556 C[C@@H](CO)COc1ccc2ncccc2c1 34a_100011215586_100000059175 [0,1,0,0,0,0|2,0,0]=3 1354 B17R2.556 C[C@@H](CO)COc1ccc2ncccc2c1 7a_100011215586_100000059175 [0,1,0,0,0,0|2,0,0]=3 1355 B17R2.556 C[C@@H](CO)COc1ccc2nccnc2c1 34a_100000694412_100000059175 [0,1,0,0,0,0|3,0,0]=4 1356 B17R2.556 C[C@@H](CO)COc1cnc2ccccc2c1 34a_100011934006_100000059175 [0,1,0,0,0,0|2,0,0]=3 1357 B17R2.556 C[C@@H](CO)COc1cnc2ccccc2c1 7a_100011934006_100000059175 [0,1,0,0,0,0|2,0,0]=3 1358 B17R2.556 C[C@@H](CO)CSc1cc2ccccc2cn1 62a_100000059175_100000047361 [0,1,0,0,0,0|2,1,0]=4 1359 B17R2.556 C[C@@H](CO)CSc1cc2ccccc2cn1 62a_100009816522_100000059175 [0,1,0,0,0,0|2,1,0]=4 1360 B17R2.556 C[C@@H](CO)CSc1ccc2ccccc2c1 62a_100000059175_100000233703 [0,1,0,0,0,0|1,1,0]=3 1361 B17R2.556 C[C@@H](CO)CSc1ccc2ccccc2n1 62a_100000059175_100011291633 [0,1,0,0,0,0|2,1,0]=4 1362 B17R2.556 C[C@@H](CO)CSc1ccc2ccccc2n1 62a_100011291633_100000059175 [0,1,0,0,0,0|2,1,0]=4 1363 B17R2.556 C[C@@H](CO)CSc1ccc2cccnc2c1 62a_100000059175_100009816655 [0,1,0,0,0,0|2,1,0]=4 1364 B17R2.556 C[C@@H](CO)CSc1ccc2ccncc2c1 62a_100000059175_100000686496 [0,1,0,0,0,0|2,1,0]=4 1365 B17R2.556 C[C@@H](CO)CSc1ccc2ccncc2c1 62a_100000686496_100000059175 [0,1,0,0,0,0|2,1,0]=4 1366 B17R2.556 C[C@@H](CO)CSc1ccc2cnccc2c1 62a_100000059175_100009816743 [0,1,0,0,0,0|2,1,0]=4 1367 B17R2.556 C[C@@H](CO)CSc1ccc2cnccc2c1 62a_100009816743_100000059175 [0,1,0,0,0,0|2,1,0]=4 1368 B17R2.556 C[C@@H](CO)CSc1ccc2ncccc2c1 62a_100000059175_100011215947 [0,1,0,0,0,0|2,1,0]=4 1369 B17R2.556 C[C@@H](CO)CSc1ccc2ncccc2c1 62a_100011215947_100000059175 [0,1,0,0,0,0|2,1,0]=4 1370 B17R2.556 C[C@@H](CO)CSc1cnc2ccccc2c1 62a_100000059175_100000737414 [0,1,0,0,0,0|2,1,0]=4 1371 B17R2.556 C[C@H](CF)NCc1ccc2ccccc2c1 207a_100102880703_100000211584 [0,1,0,0,0,0|3,0,0]=4 1372 B17R2.556 C[C@H](CF)NCc1ccc2ccccc2c1 270004a_100102880703_100000211584 [0,1,0,0,0,0|3,0,0]=4 1373 B17R2.556 C[C@H](CO)NCc1ccc2ccccc2c1 207a_100000737577_100000211584 [0,1,0,0,0,0|3,0,0]=4 1374 B17R2.556 C[C@H](CO)NCc1ccc2ccccc2c1 2230a_100000737577_100011216711 [0,1,0,0,0,0|3,0,0]=4 1375 B17R2.556 C[C@H](CO)NCc1ccc2ccccc2c1 270004a_100000737577_100000211584 [0,1,0,0,0,0|3,0,0]=4 1376 B17R2.556 C[C@H](CO)SCc1ccc2ccccc2c1 62a_100011216711_100016084084 [0,1,0,0,0,0|3,0,0]=4 1377 B17R2.556 C[C@H](CO)SCc1ccc2ccccc2c1 62a_100016084084_100011216711 [0,1,0,0,0,0|3,0,0]=4 1378 B17R2.556 O=C(CF)CCc1ccc2ccccc2c1 1458a_100000743016_100015361967 [0,1,0,0,0,0|2,0,1]=4 1379 B17R2.556 O=C(CF)COc1ccc2ccccc2c1 1458a_100000185456_100015361967 [0,1,0,0,0,0|1,0,1]=3 1380 B17R2.556 O=C(CF)CSc1ccc2ccccc2c1 1458a_100000181792_100015361967 [0,1,0,0,0,0|1,1,1]=4 1381 B17R2.556 OCC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011219619 [0,1,0,0,0,0|2,0,0]=3 1382 B17R2.556 OCC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011219619 [0,1,0,0,0,0|2,0,0]=3 1383 B17R2.556 OCC(O)CNc1ccc2cccnc2c1 34a_100102887122_100011219619 [0,1,0,0,0,0|3,0,0]=4 1384 B17R2.556 OCC(O)CNc1ccc2cnccc2c1 34a_100000039641_100011219619 [0,1,0,0,0,0|3,0,0]=4 1385 B17R2.556 OCC(O)CNc1ccc2ncccc2c1 34a_100011198106_100011219619 [0,1,0,0,0,0|3,0,0]=4 1386 B17R2.556 OCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011219619 [0,1,0,0,0,0|1,0,0]=2 1387 B17R2.556 OCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011219619 [0,1,0,0,0,0|1,0,0]=2 1388 B17R2.556 OCC(O)COc1ccc2cccnc2c1 34a_100011216045_100011219619 [0,1,0,0,0,0|2,0,0]=3 1389 B17R2.556 OCC(O)COc1ccc2ccncc2c1 7a_100000752006_100011219619 [0,1,0,0,0,0|2,0,0]=3 1390 B17R2.556 OCC(O)COc1ccc2cnccc2c1 34a_100000046372_100011219619 [0,1,0,0,0,0|2,0,0]=3 1391 B17R2.556 OCC(O)COc1ccc2cnccc2c1 7a_100000046372_100011219619 [0,1,0,0,0,0|2,0,0]=3 1392 B17R2.556 OCC(O)COc1ccc2ncccc2c1 34a_100011215586_100011219619 [0,1,0,0,0,0|2,0,0]=3 1393 B17R2.556 OCC(O)COc1ccc2ncccc2c1 7a_100011215586_100011219619 [0,1,0,0,0,0|2,0,0]=3 1394 B17R2.556 OCC(O)COc1ccc2nccnc2c1 34a_100000694412_100011219619 [0,1,0,0,0,0|3,0,0]=4 1395 B17R2.556 OCC(O)COc1cnc2ccccc2c1 34a_100011934006_100011219619 [0,1,0,0,0,0|2,0,0]=3 1396 B17R2.556 OCC(O)COc1cnc2ccccc2c1 7a_100011934006_100011219619 [0,1,0,0,0,0|2,0,0]=3 1397 B17R2.556 OCC(O)CSc1cc2ccccc2cn1 62a_100009816522_100011219619 [0,1,0,0,0,0|2,1,0]=4 1398 B17R2.556 OCC(O)CSc1cc2ccccc2cn1 62a_100011219619_100000047361 [0,1,0,0,0,0|2,1,0]=4 1399 B17R2.556 OCC(O)CSc1ccc2ccccc2c1 62a_100011219619_100000233703 [0,1,0,0,0,0|1,1,0]=3 1400 B17R2.556 OCC(O)CSc1ccc2ccccc2n1 62a_100011219619_100011291633 [0,1,0,0,0,0|2,1,0]=4 1401 B17R2.556 OCC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011219619 [0,1,0,0,0,0|2,1,0]=4 1402 B17R2.556 OCC(O)CSc1ccc2cccnc2c1 62a_100011219619_100009816655 [0,1,0,0,0,0|2,1,0]=4 1403 B17R2.556 OCC(O)CSc1ccc2ccncc2c1 62a_100000686496_100011219619 [0,1,0,0,0,0|2,1,0]=4 1404 B17R2.556 OCC(O)CSc1ccc2ccncc2c1 62a_100011219619_100000686496 [0,1,0,0,0,0|2,1,0]=4 1405 B17R2.556 OCC(O)CSc1ccc2cnccc2c1 62a_100009816743_100011219619 [0,1,0,0,0,0|2,1,0]=4 1406 B17R2.556 OCC(O)CSc1ccc2cnccc2c1 62a_100011219619_100009816743 [0,1,0,0,0,0|2,1,0]=4 1407 B17R2.556 OCC(O)CSc1ccc2ncccc2c1 62a_100011215947_100011219619 [0,1,0,0,0,0|2,1,0]=4 1408 B17R2.556 OCC(O)CSc1ccc2ncccc2c1 62a_100011219619_100011215947 [0,1,0,0,0,0|2,1,0]=4 1409 B17R2.556 OCC(O)CSc1cnc2ccccc2c1 62a_100011219619_100000737414 [0,1,0,0,0,0|2,1,0]=4 1410 B17R2.556 OC[C@@H](O)CNc1ccc2ccccc2n1 27a_100020644852_100011291633 [0,1,0,0,0,0|3,0,0]=4 1411 B17R2.556 OC[C@H](F)CNc1ccc2ccccc2n1 27a_100015665980_100011291633 [0,1,0,0,0,0|3,0,0]=4 1412 B17R2.556 OC[C@H](O)CNc1ccc2ccccc2c1 34a_100000211940_100009815848 [0,1,0,0,0,0|2,0,0]=3 1413 B17R2.556 OC[C@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100009815848 [0,1,0,0,0,0|2,0,0]=3 1414 B17R2.556 OC[C@H](O)CNc1ccc2cccnc2c1 34a_100102887122_100009815848 [0,1,0,0,0,0|3,0,0]=4 1415 B17R2.556 OC[C@H](O)CNc1ccc2cnccc2c1 34a_100000039641_100009815848 [0,1,0,0,0,0|3,0,0]=4 1416 B17R2.556 OC[C@H](O)CNc1ccc2ncccc2c1 34a_100011198106_100009815848 [0,1,0,0,0,0|3,0,0]=4 1417 B17R2.556 OC[C@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009815848 [0,1,0,0,0,0|1,0,0]=2 1418 B17R2.556 OC[C@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009815848 [0,1,0,0,0,0|1,0,0]=2 1419 B17R2.556 OC[C@H](O)COc1ccc2cccnc2c1 34a_100011216045_100009815848 [0,1,0,0,0,0|2,0,0]=3 1420 B17R2.556 OC[C@H](O)COc1ccc2ccncc2c1 7a_100000752006_100009815848 [0,1,0,0,0,0|2,0,0]=3 1421 B17R2.556 OC[C@H](O)COc1ccc2cnccc2c1 34a_100000046372_100009815848 [0,1,0,0,0,0|2,0,0]=3 1422 B17R2.556 OC[C@H](O)COc1ccc2cnccc2c1 7a_100000046372_100009815848 [0,1,0,0,0,0|2,0,0]=3 1423 B17R2.556 OC[C@H](O)COc1ccc2ncccc2c1 34a_100011215586_100009815848 [0,1,0,0,0,0|2,0,0]=3 1424 B17R2.556 OC[C@H](O)COc1ccc2ncccc2c1 7a_100011215586_100009815848 [0,1,0,0,0,0|2,0,0]=3 1425 B17R2.556 OC[C@H](O)COc1ccc2nccnc2c1 34a_100000694412_100009815848 [0,1,0,0,0,0|3,0,0]=4 1426 B17R2.556 OC[C@H](O)COc1cnc2ccccc2c1 34a_100011934006_100009815848 [0,1,0,0,0,0|2,0,0]=3 1427 B17R2.556 OC[C@H](O)COc1cnc2ccccc2c1 7a_100011934006_100009815848 [0,1,0,0,0,0|2,0,0]=3 1428 B17R2.556 OC[C@H](O)CSc1cc2ccccc2cn1 62a_100009815848_100000047361 [0,1,0,0,0,0|2,1,0]=4 1429 B17R2.556 OC[C@H](O)CSc1cc2ccccc2cn1 62a_100009816522_100009815848 [0,1,0,0,0,0|2,1,0]=4 1430 B17R2.556 OC[C@H](O)CSc1ccc2ccccc2c1 62a_100009815848_100000233703 [0,1,0,0,0,0|1,1,0]=3 1431 B17R2.556 OC[C@H](O)CSc1ccc2ccccc2n1 62a_100009815848_100011291633 [0,1,0,0,0,0|2,1,0]=4 1432 B17R2.556 OC[C@H](O)CSc1ccc2ccccc2n1 62a_100011291633_100009815848 [0,1,0,0,0,0|2,1,0]=4 1433 B17R2.556 OC[C@H](O)CSc1ccc2cccnc2c1 62a_100009815848_100009816655 [0,1,0,0,0,0|2,1,0]=4 1434 B17R2.556 OC[C@H](O)CSc1ccc2ccncc2c1 62a_100000686496_100009815848 [0,1,0,0,0,0|2,1,0]=4 1435 B17R2.556 OC[C@H](O)CSc1ccc2ccncc2c1 62a_100009815848_100000686496 [0,1,0,0,0,0|2,1,0]=4 1436 B17R2.556 OC[C@H](O)CSc1ccc2cnccc2c1 62a_100009815848_100009816743 [0,1,0,0,0,0|2,1,0]=4 1437 B17R2.556 OC[C@H](O)CSc1ccc2cnccc2c1 62a_100009816743_100009815848 [0,1,0,0,0,0|2,1,0]=4 1438 B17R2.556 OC[C@H](O)CSc1ccc2ncccc2c1 62a_100009815848_100011215947 [0,1,0,0,0,0|2,1,0]=4 1439 B17R2.556 OC[C@H](O)CSc1ccc2ncccc2c1 62a_100011215947_100009815848 [0,1,0,0,0,0|2,1,0]=4 1440 B17R2.556 OC[C@H](O)CSc1cnc2ccccc2c1 62a_100009815848_100000737414 [0,1,0,0,0,0|2,1,0]=4 1441 B17R2.556 O[C@@H](CF)CNc1ccc2ccccc2c1 34a_100000211940_100015614560 [0,1,0,0,0,0|2,0,0]=3 1442 B17R2.556 O[C@@H](CF)CNc1ccc2ccccc2c1 7a_100000211940_100015614560 [0,1,0,0,0,0|2,0,0]=3 1443 B17R2.556 O[C@@H](CF)CNc1ccc2cccnc2c1 34a_100102887122_100015614560 [0,1,0,0,0,0|3,0,0]=4 1444 B17R2.556 O[C@@H](CF)CNc1ccc2cnccc2c1 34a_100000039641_100015614560 [0,1,0,0,0,0|3,0,0]=4 1445 B17R2.556 O[C@@H](CF)CNc1ccc2ncccc2c1 34a_100011198106_100015614560 [0,1,0,0,0,0|3,0,0]=4 1446 B17R2.556 O[C@@H](CF)COc1ccc2ccccc2c1 34a_100000185828_100015614560 [0,1,0,0,0,0|1,0,0]=2 1447 B17R2.556 O[C@@H](CF)COc1ccc2ccccc2c1 7a_100000185828_100015614560 [0,1,0,0,0,0|1,0,0]=2 1448 B17R2.556 O[C@@H](CF)COc1ccc2cccnc2c1 34a_100011216045_100015614560 [0,1,0,0,0,0|2,0,0]=3 1449 B17R2.556 O[C@@H](CF)COc1ccc2ccncc2c1 7a_100000752006_100015614560 [0,1,0,0,0,0|2,0,0]=3 1450 B17R2.556 O[C@@H](CF)COc1ccc2cnccc2c1 34a_100000046372_100015614560 [0,1,0,0,0,0|2,0,0]=3 1451 B17R2.556 O[C@@H](CF)COc1ccc2cnccc2c1 7a_100000046372_100015614560 [0,1,0,0,0,0|2,0,0]=3 1452 B17R2.556 O[C@@H](CF)COc1ccc2ncccc2c1 34a_100011215586_100015614560 [0,1,0,0,0,0|2,0,0]=3 1453 B17R2.556 O[C@@H](CF)COc1ccc2ncccc2c1 7a_100011215586_100015614560 [0,1,0,0,0,0|2,0,0]=3 1454 B17R2.556 O[C@@H](CF)COc1ccc2nccnc2c1 34a_100000694412_100015614560 [0,1,0,0,0,0|3,0,0]=4 1455 B17R2.556 O[C@@H](CF)COc1cnc2ccccc2c1 34a_100011934006_100015614560 [0,1,0,0,0,0|2,0,0]=3 1456 B17R2.556 O[C@@H](CF)COc1cnc2ccccc2c1 7a_100011934006_100015614560 [0,1,0,0,0,0|2,0,0]=3 1457 B17R2.556 O[C@@H](CF)CSc1cc2ccccc2cn1 62a_100009816522_100015614560 [0,1,0,0,0,0|2,1,0]=4 1458 B17R2.556 O[C@@H](CF)CSc1cc2ccccc2cn1 62a_100015614560_100000047361 [0,1,0,0,0,0|2,1,0]=4 1459 B17R2.556 O[C@@H](CF)CSc1ccc2ccccc2c1 62a_100015614560_100000233703 [0,1,0,0,0,0|1,1,0]=3 1460 B17R2.556 O[C@@H](CF)CSc1ccc2ccccc2n1 62a_100011291633_100015614560 [0,1,0,0,0,0|2,1,0]=4 1461 B17R2.556 O[C@@H](CF)CSc1ccc2ccccc2n1 62a_100015614560_100011291633 [0,1,0,0,0,0|2,1,0]=4 1462 B17R2.556 O[C@@H](CF)CSc1ccc2cccnc2c1 62a_100015614560_100009816655 [0,1,0,0,0,0|2,1,0]=4 1463 B17R2.556 O[C@@H](CF)CSc1ccc2ccncc2c1 62a_100000686496_100015614560 [0,1,0,0,0,0|2,1,0]=4 1464 B17R2.556 O[C@@H](CF)CSc1ccc2ccncc2c1 62a_100015614560_100000686496 [0,1,0,0,0,0|2,1,0]=4 1465 B17R2.556 O[C@@H](CF)CSc1ccc2cnccc2c1 62a_100009816743_100015614560 [0,1,0,0,0,0|2,1,0]=4 1466 B17R2.556 O[C@@H](CF)CSc1ccc2cnccc2c1 62a_100015614560_100009816743 [0,1,0,0,0,0|2,1,0]=4 1467 B17R2.556 O[C@@H](CF)CSc1ccc2ncccc2c1 62a_100011215947_100015614560 [0,1,0,0,0,0|2,1,0]=4 1468 B17R2.556 O[C@@H](CF)CSc1ccc2ncccc2c1 62a_100015614560_100011215947 [0,1,0,0,0,0|2,1,0]=4 1469 B17R2.556 O[C@@H](CF)CSc1cnc2ccccc2c1 62a_100015614560_100000737414 [0,1,0,0,0,0|2,1,0]=4 1470 B17R2.2015 C#CCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000688953 [0,1,0,0,0,0|1,0,2]=4 1471 B17R2.2015 C#CCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000688953 [0,1,0,0,0,0|1,0,2]=4 1472 B17R2.2015 C#CCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000688953 [0,1,0,0,0,0|1,0,2]=4 1473 B17R2.2015 C#CCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000688953 [0,1,0,0,0,0|1,0,2]=4 1474 B17R2.2015 C#CCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000688953 [0,1,0,0,0,0|1,0,2]=4 1475 B17R2.2015 C#CCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000688953 [0,1,0,0,0,0|1,0,2]=4 1476 B17R2.2015 C#CCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000688953 [0,1,0,0,0,0|1,0,2]=4 1477 B17R2.2015 C#CCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000688953 [0,1,0,0,0,0|0,0,2]=3 1478 B17R2.2015 C#CCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000688953 [0,1,0,0,0,0|0,0,2]=3 1479 B17R2.2015 C#CCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000688953 [0,1,0,0,0,0|0,0,2]=3 1480 B17R2.2015 C#CCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000688953 [0,1,0,0,0,0|0,0,2]=3 1481 B17R2.2015 C#CCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000688953 [0,1,0,0,0,0|0,0,2]=3 1482 B17R2.2015 C#CCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000688953 [0,1,0,0,0,0|0,0,2]=3 1483 B17R2.2015 C#CCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000688953 [0,1,0,0,0,0|1,0,2]=4 1484 B17R2.2015 C#CCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000688953 [0,1,0,0,0,0|1,0,2]=4 1485 B17R2.2015 C#CCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000688953 [0,1,0,0,0,0|1,0,2]=4 1486 B17R2.2015 C#CCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000688953 [0,1,0,0,0,0|1,0,2]=4 1487 B17R2.2015 C#CCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000688953 [0,1,0,0,0,0|1,0,2]=4 1488 B17R2.2015 C#CCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000688953 [0,1,0,0,0,0|1,0,2]=4 1489 B17R2.2015 C#CCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000688953 [0,1,0,0,0,0|1,0,2]=4 1490 B17R2.2015 C#CCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000688953 [0,1,0,0,0,0|1,0,2]=4 1491 B17R2.2015 C#CCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000688953 [0,1,0,0,0,0|1,0,2]=4 1492 B17R2.2015 C#CCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000688953 [0,1,0,0,0,0|1,0,2]=4 1493 B17R2.2015 C#CCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000688953 [0,1,0,0,0,0|1,0,2]=4 1494 B17R2.2015 C#CCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000688953 [0,1,0,0,0,0|1,0,2]=4 1495 B17R2.2015 C#CCCSc1ccc2ccc(cc2c1)N 62a_100000688953_100010090036 [0,1,0,0,0,0|0,1,2]=4 1496 B17R2.2015 C#CCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000688953 [0,1,0,0,0,0|0,1,2]=4 1497 B17R2.2015 C#CCCSc1ccc2ccc(cc2c1)O 62a_100000688953_100009816537 [0,1,0,0,0,0|0,1,2]=4 1498 B17R2.2015 C/C=C/CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100102629194 [0,1,0,0,0,0|1,0,2]=4 1499 B17R2.2015 C/C=C/CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100102629194 [0,1,0,0,0,0|1,0,2]=4 1500 B17R2.2015 C/C=C/CNc1ccc2ccc(cc2c1)O 34a_100015378740_100102629194 [0,1,0,0,0,0|1,0,2]=4 1501 B17R2.2015 C/C=C/CNc1ccc2ccc(cc2c1)O 7a_100015378740_100102629194 [0,1,0,0,0,0|1,0,2]=4 1502 B17R2.2015 C/C=C/COc1cc2cc(ccc2cn1)F 34a_200000101709_100102629194 [0,1,0,0,0,0|1,0,2]=4 1503 B17R2.2015 C/C=C/COc1ccc2ccc(=O)oc2c1 34a_100000185914_100102629194 [0,1,0,0,0,0|1,0,2]=4 1504 B17R2.2015 C/C=C/COc1ccc2ccc(=O)oc2c1 7a_100000185914_100102629194 [0,1,0,0,0,0|1,0,2]=4 1505 B17R2.2015 C/C=C/COc1ccc2ccc(cc2c1)Br 34a_100009816537_100102629194 [0,1,0,0,0,0|0,0,2]=3 1506 B17R2.2015 C/C=C/COc1ccc2ccc(cc2c1)Br 7a_100009816537_100102629194 [0,1,0,0,0,0|0,0,2]=3 1507 B17R2.2015 C/C=C/COc1ccc2ccc(cc2c1)C 34a_100000091598_100102629194 [0,1,0,0,0,0|0,0,2]=3 1508 B17R2.2015 C/C=C/COc1ccc2ccc(cc2c1)C 7a_100000091598_100102629194 [0,1,0,0,0,0|0,0,2]=3 1509 B17R2.2015 C/C=C/COc1ccc2ccc(cc2c1)N 34a_100015378740_100102629194 [0,1,0,0,0,0|0,0,2]=3 1510 B17R2.2015 C/C=C/COc1ccc2ccc(cc2c1)N 7a_100015378740_100102629194 [0,1,0,0,0,0|0,0,2]=3 1511 B17R2.2015 C/C=C/COc1ccc2ccc(nc2c1)C 34a_100009867695_100102629194 [0,1,0,0,0,0|1,0,2]=4 1512 B17R2.2015 C/C=C/COc1ccc2ccc(nc2c1)C 7a_100009867695_100102629194 [0,1,0,0,0,0|1,0,2]=4 1513 B17R2.2015 C/C=C/COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100102629194 [0,1,0,0,0,0|1,0,2]=4 1514 B17R2.2015 C/C=C/COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100102629194 [0,1,0,0,0,0|1,0,2]=4 1515 B17R2.2015 C/C=C/COc1ccc2ncc(cc2c1)Br 34a_100010137430_100102629194 [0,1,0,0,0,0|1,0,2]=4 1516 B17R2.2015 C/C=C/COc1ccc2ncc(cc2c1)Br 7a_100010137430_100102629194 [0,1,0,0,0,0|1,0,2]=4 1517 B17R2.2015 C/C=C/COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100102629194 [0,1,0,0,0,0|1,0,2]=4 1518 B17R2.2015 C/C=C/COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100102629194 [0,1,0,0,0,0|1,0,2]=4 1519 B17R2.2015 C/C=C/COc1ccc2ncc(cc2c1)F 34a_100009845357_100102629194 [0,1,0,0,0,0|1,0,2]=4 1520 B17R2.2015 C/C=C/COc1ccc2ncc(cc2c1)F 7a_100009845357_100102629194 [0,1,0,0,0,0|1,0,2]=4 1521 B17R2.2015 C/C=C/COc1cnc2ccc(cc2c1)Br 34a_100000703654_100102629194 [0,1,0,0,0,0|1,0,2]=4 1522 B17R2.2015 C/C=C/COc1cnc2ccc(cc2c1)Br 7a_100000703654_100102629194 [0,1,0,0,0,0|1,0,2]=4 1523 B17R2.2015 C/C=C/CSc1ccc2ccc(cc2c1)N 62a_100010090036_100102629194 [0,1,0,0,0,0|0,1,2]=4 1524 B17R2.2015 C/C=C/CSc1ccc2ccc(cc2c1)N 62a_100102629194_100010090036 [0,1,0,0,0,0|0,1,2]=4 1525 B17R2.2015 C/C=C/CSc1ccc2ccc(cc2c1)O 62a_100102629194_100009816537 [0,1,0,0,0,0|0,1,2]=4 1526 B17R2.2015 C=CCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000754431 [0,1,0,0,0,0|1,0,2]=4 1527 B17R2.2015 C=CCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000754431 [0,1,0,0,0,0|1,0,2]=4 1528 B17R2.2015 C=CCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000754431 [0,1,0,0,0,0|1,0,2]=4 1529 B17R2.2015 C=CCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000754431 [0,1,0,0,0,0|1,0,2]=4 1530 B17R2.2015 C=CCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000754431 [0,1,0,0,0,0|1,0,2]=4 1531 B17R2.2015 C=CCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000754431 [0,1,0,0,0,0|1,0,2]=4 1532 B17R2.2015 C=CCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000754431 [0,1,0,0,0,0|1,0,2]=4 1533 B17R2.2015 C=CCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000754431 [0,1,0,0,0,0|0,0,2]=3 1534 B17R2.2015 C=CCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000754431 [0,1,0,0,0,0|0,0,2]=3 1535 B17R2.2015 C=CCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000754431 [0,1,0,0,0,0|0,0,2]=3 1536 B17R2.2015 C=CCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000754431 [0,1,0,0,0,0|0,0,2]=3 1537 B17R2.2015 C=CCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000754431 [0,1,0,0,0,0|0,0,2]=3 1538 B17R2.2015 C=CCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000754431 [0,1,0,0,0,0|0,0,2]=3 1539 B17R2.2015 C=CCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000754431 [0,1,0,0,0,0|1,0,2]=4 1540 B17R2.2015 C=CCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000754431 [0,1,0,0,0,0|1,0,2]=4 1541 B17R2.2015 C=CCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000754431 [0,1,0,0,0,0|1,0,2]=4 1542 B17R2.2015 C=CCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000754431 [0,1,0,0,0,0|1,0,2]=4 1543 B17R2.2015 C=CCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000754431 [0,1,0,0,0,0|1,0,2]=4 1544 B17R2.2015 C=CCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000754431 [0,1,0,0,0,0|1,0,2]=4 1545 B17R2.2015 C=CCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000754431 [0,1,0,0,0,0|1,0,2]=4 1546 B17R2.2015 C=CCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000754431 [0,1,0,0,0,0|1,0,2]=4 1547 B17R2.2015 C=CCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000754431 [0,1,0,0,0,0|1,0,2]=4 1548 B17R2.2015 C=CCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000754431 [0,1,0,0,0,0|1,0,2]=4 1549 B17R2.2015 C=CCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000754431 [0,1,0,0,0,0|1,0,2]=4 1550 B17R2.2015 C=CCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000754431 [0,1,0,0,0,0|1,0,2]=4 1551 B17R2.2015 C=CCCSc1ccc2ccc(cc2c1)N 62a_100000754431_100010090036 [0,1,0,0,0,0|0,1,2]=4 1552 B17R2.2015 C=CCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000754431 [0,1,0,0,0,0|0,1,2]=4 1553 B17R2.2015 C=CCCSc1ccc2ccc(cc2c1)O 62a_100000754431_100009816537 [0,1,0,0,0,0|0,1,2]=4 1554 B17R2.2015 CC#CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000748600 [0,1,0,0,0,0|1,0,2]=4 1555 B17R2.2015 CC#CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000748600 [0,1,0,0,0,0|1,0,2]=4 1556 B17R2.2015 CC#CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000748600 [0,1,0,0,0,0|1,0,2]=4 1557 B17R2.2015 CC#CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000748600 [0,1,0,0,0,0|1,0,2]=4 1558 B17R2.2015 CC#CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000748600 [0,1,0,0,0,0|1,0,2]=4 1559 B17R2.2015 CC#CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000748600 [0,1,0,0,0,0|1,0,2]=4 1560 B17R2.2015 CC#CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000748600 [0,1,0,0,0,0|1,0,2]=4 1561 B17R2.2015 CC#CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000748600 [0,1,0,0,0,0|0,0,2]=3 1562 B17R2.2015 CC#CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000748600 [0,1,0,0,0,0|0,0,2]=3 1563 B17R2.2015 CC#CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000748600 [0,1,0,0,0,0|0,0,2]=3 1564 B17R2.2015 CC#CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000748600 [0,1,0,0,0,0|0,0,2]=3 1565 B17R2.2015 CC#CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000748600 [0,1,0,0,0,0|0,0,2]=3 1566 B17R2.2015 CC#CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000748600 [0,1,0,0,0,0|0,0,2]=3 1567 B17R2.2015 CC#CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000748600 [0,1,0,0,0,0|1,0,2]=4 1568 B17R2.2015 CC#CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000748600 [0,1,0,0,0,0|1,0,2]=4 1569 B17R2.2015 CC#CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000748600 [0,1,0,0,0,0|1,0,2]=4 1570 B17R2.2015 CC#CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000748600 [0,1,0,0,0,0|1,0,2]=4 1571 B17R2.2015 CC#CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000748600 [0,1,0,0,0,0|1,0,2]=4 1572 B17R2.2015 CC#CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000748600 [0,1,0,0,0,0|1,0,2]=4 1573 B17R2.2015 CC#CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000748600 [0,1,0,0,0,0|1,0,2]=4 1574 B17R2.2015 CC#CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000748600 [0,1,0,0,0,0|1,0,2]=4 1575 B17R2.2015 CC#CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000748600 [0,1,0,0,0,0|1,0,2]=4 1576 B17R2.2015 CC#CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000748600 [0,1,0,0,0,0|1,0,2]=4 1577 B17R2.2015 CC#CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000748600 [0,1,0,0,0,0|1,0,2]=4 1578 B17R2.2015 CC#CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000748600 [0,1,0,0,0,0|1,0,2]=4 1579 B17R2.2015 CC#CCSc1ccc2ccc(cc2c1)N 62a_100000748600_100010090036 [0,1,0,0,0,0|0,1,2]=4 1580 B17R2.2015 CC#CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000748600 [0,1,0,0,0,0|0,1,2]=4 1581 B17R2.2015 CC#CCSc1ccc2ccc(cc2c1)O 62a_100000748600_100009816537 [0,1,0,0,0,0|0,1,2]=4 1582 B17R2.2015 CC=CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000070051 [0,1,0,0,0,0|1,0,2]=4 1583 B17R2.2015 CC=CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000070051 [0,1,0,0,0,0|1,0,2]=4 1584 B17R2.2015 CC=CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000070051 [0,1,0,0,0,0|1,0,2]=4 1585 B17R2.2015 CC=CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000070051 [0,1,0,0,0,0|1,0,2]=4 1586 B17R2.2015 CC=CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000070051 [0,1,0,0,0,0|1,0,2]=4 1587 B17R2.2015 CC=CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000070051 [0,1,0,0,0,0|1,0,2]=4 1588 B17R2.2015 CC=CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000070051 [0,1,0,0,0,0|1,0,2]=4 1589 B17R2.2015 CC=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000070051 [0,1,0,0,0,0|0,0,2]=3 1590 B17R2.2015 CC=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000070051 [0,1,0,0,0,0|0,0,2]=3 1591 B17R2.2015 CC=CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000070051 [0,1,0,0,0,0|0,0,2]=3 1592 B17R2.2015 CC=CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000070051 [0,1,0,0,0,0|0,0,2]=3 1593 B17R2.2015 CC=CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000070051 [0,1,0,0,0,0|0,0,2]=3 1594 B17R2.2015 CC=CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000070051 [0,1,0,0,0,0|0,0,2]=3 1595 B17R2.2015 CC=CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000070051 [0,1,0,0,0,0|1,0,2]=4 1596 B17R2.2015 CC=CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000070051 [0,1,0,0,0,0|1,0,2]=4 1597 B17R2.2015 CC=CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000070051 [0,1,0,0,0,0|1,0,2]=4 1598 B17R2.2015 CC=CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000070051 [0,1,0,0,0,0|1,0,2]=4 1599 B17R2.2015 CC=CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000070051 [0,1,0,0,0,0|1,0,2]=4 1600 B17R2.2015 CC=CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000070051 [0,1,0,0,0,0|1,0,2]=4 1601 B17R2.2015 CC=CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000070051 [0,1,0,0,0,0|1,0,2]=4 1602 B17R2.2015 CC=CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000070051 [0,1,0,0,0,0|1,0,2]=4 1603 B17R2.2015 CC=CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000070051 [0,1,0,0,0,0|1,0,2]=4 1604 B17R2.2015 CC=CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000070051 [0,1,0,0,0,0|1,0,2]=4 1605 B17R2.2015 CC=CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000070051 [0,1,0,0,0,0|1,0,2]=4 1606 B17R2.2015 CC=CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000070051 [0,1,0,0,0,0|1,0,2]=4 1607 B17R2.2015 CC=CCSc1ccc2ccc(cc2c1)N 62a_100000070051_100010090036 [0,1,0,0,0,0|0,1,2]=4 1608 B17R2.2015 CC=CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000070051 [0,1,0,0,0,0|0,1,2]=4 1609 B17R2.2015 CC=CCSc1ccc2ccc(cc2c1)O 62a_100000070051_100009816537 [0,1,0,0,0,0|0,1,2]=4 1610 B17R2.2015 CCCC=Cc1cc2cc(ccc2cn1)F 271570a_100016258520_100009828686 [0,1,0,0,0,0|2,0,1]=4 1611 B17R2.2015 CCCC=Cc1ccc2cc[n+](cc2c1)[O-] 271570a_100016258520_100009816120 [0,1,0,0,0,0|2,0,1]=4 1612 B17R2.2015 CCCC=Cc1ccc2ccc(=O)oc2c1 271570a_100016258520_100009993525 [0,1,0,0,0,0|2,0,1]=4 1613 B17R2.2015 CCCC=Cc1ccc2ccc(cc2c1)N 271570a_100016258520_100010090036 [0,1,0,0,0,0|1,0,1]=3 1614 B17R2.2015 CCCC=Cc1ccc2ccc(cc2c1)O 271570a_100016258520_100009816537 [0,1,0,0,0,0|1,0,1]=3 1615 B17R2.2015 CCCC=Cc1ccc2ccc(cc2n1)O 271570a_100016258520_100000079174 [0,1,0,0,0,0|2,0,1]=4 1616 B17R2.2015 CCCC=Cc1ccc2ccc(nc2c1)C 271570a_100016258520_100009817087 [0,1,0,0,0,0|2,0,1]=4 1617 B17R2.2015 CCCC=Cc1ccc2ccc(nc2c1)N 271570a_100016258520_100010187616 [0,1,0,0,0,0|2,0,1]=4 1618 B17R2.2015 CCCC=Cc1ccc2ccc(nc2c1)O 271570a_100016258520_100000690401 [0,1,0,0,0,0|2,0,1]=4 1619 B17R2.2015 CCCC=Cc1ccc2cnc(cc2c1)F 271570a_100016258520_100010291885 [0,1,0,0,0,0|2,0,1]=4 1620 B17R2.2015 CCCC=Cc1ccc2cnc(cc2c1)N 271570a_100016258520_100009817123 [0,1,0,0,0,0|2,0,1]=4 1621 B17R2.2015 CCCC=Cc1ccc2cnc(cc2c1)O 271570a_100016258520_100009817130 [0,1,0,0,0,0|2,0,1]=4 1622 B17R2.2015 CCCC=Cc1ccc2ncc(cc2c1)Br 271570a_100016258520_200010254249 [0,1,0,0,0,0|2,0,1]=4 1623 B17R2.2015 CCCC=Cc1ccc2ncc(cc2c1)C 271570a_100016258520_100009817055 [0,1,0,0,0,0|2,0,1]=4 1624 B17R2.2015 CCCC=Cc1ccc2ncc(cc2c1)O 271570a_100016258520_100000703654 [0,1,0,0,0,0|2,0,1]=4 1625 B17R2.2015 CCCC=Cc1cnc2ccc(cc2c1)Br 271570a_100016258520_100010740133 [0,1,0,0,0,0|2,0,1]=4 1626 B17R2.2015 CCCC=Cc1cnc2ccc(cc2c1)C 271570a_100016258520_100015841224 [0,1,0,0,0,0|2,0,1]=4 1627 B17R2.2015 CCCC=Cc1cnc2ccc(cc2c1)Cl 271570a_100016258520_100015929906 [0,1,0,0,0,0|2,0,1]=4 1628 B17R2.2015 CCCC=Cc1cnc2ccc(cc2c1)N 271570a_100016258520_100009888932 [0,1,0,0,0,0|2,0,1]=4 1629 B17R2.2015 CCCC=Cc1cnc2ccc(cc2c1)O 271570a_100016258520_100010137430 [0,1,0,0,0,0|2,0,1]=4 1630 B17R2.2015 CCCCNc1cc2[nH]c(=O)ccc2cn1 27a_100000102301_100010563892 [0,1,0,0,0,0|3,0,0]=4 1631 B17R2.2015 CCCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210210 [0,1,0,0,0,0|1,0,0]=2 1632 B17R2.2015 CCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210211 [0,1,0,0,0,0|1,0,0]=2 1633 B17R2.2015 CCCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210210 [0,1,0,0,0,0|1,0,0]=2 1634 B17R2.2015 CCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210211 [0,1,0,0,0,0|1,0,0]=2 1635 B17R2.2015 CCCCNc1ccc2cnc(nc2c1)C 27a_100000102301_100010233817 [0,1,0,0,0,0|3,0,0]=4 1636 B17R2.2015 CCCCNc1ccc2cnc(nc2c1)N 27a_100000102301_100010199760 [0,1,0,0,0,0|3,0,0]=4 1637 B17R2.2015 CCCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210210 [0,1,0,0,0,0|2,0,0]=3 1638 B17R2.2015 CCCCNc1ccc2ncc(cc2n1)F 27a_100000102301_100009889179 [0,1,0,0,0,0|3,0,0]=4 1639 B17R2.2015 CCCCNc1cnc2ccc(cc2n1)O 27a_100000102301_200020640061 [0,1,0,0,0,0|3,0,0]=4 1640 B17R2.2015 CCCCNc1ncc2ccc(cc2n1)F 27a_100000102301_100000104070 [0,1,0,0,0,0|3,0,0]=4 1641 B17R2.2015 CCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210210 [0,1,0,0,0,0|1,0,0]=2 1642 B17R2.2015 CCCCOc1ccc2c(c1)CC(=O)CC2 34a_200000081095_100000210210 [0,1,0,0,0,0|0,0,3]=4 1643 B17R2.2015 CCCCOc1ccc2c(c1)CC(=O)CC2 7a_200000081095_100000210211 [0,1,0,0,0,0|0,0,3]=4 1644 B17R2.2015 CCCCOc1ccc2c(c1)NC(=O)CC2 34a_100000708604_100000210210 [0,1,0,0,0,0|1,0,2]=4 1645 B17R2.2015 CCCCOc1ccc2c(c1)NC(=O)CO2 34a_100009876821_100000210210 [0,1,0,0,0,0|2,0,1]=4 1646 B17R2.2015 CCCCOc1ccc2c(c1)OC(=O)CC2 7a_100000044819_100000210211 [0,1,0,0,0,0|1,0,2]=4 1647 B17R2.2015 CCCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210210 [0,1,0,0,0,0|1,0,0]=2 1648 B17R2.2015 CCCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210211 [0,1,0,0,0,0|1,0,0]=2 1649 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210210 [0,1,0,0,0,0|0,0,0]=1 1650 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210211 [0,1,0,0,0,0|0,0,0]=1 1651 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000210210 [0,1,0,0,0,0|0,0,0]=1 1652 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000210211 [0,1,0,0,0,0|0,0,0]=1 1653 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210210 [0,1,0,0,0,0|0,0,0]=1 1654 B17R2.2015 CCCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210211 [0,1,0,0,0,0|0,0,0]=1 1655 B17R2.2015 CCCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000210210 [0,1,0,0,0,0|1,0,0]=2 1656 B17R2.2015 CCCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000210211 [0,1,0,0,0,0|1,0,0]=2 1657 B17R2.2015 CCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210210 [0,1,0,0,0,0|1,0,0]=2 1658 B17R2.2015 CCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210211 [0,1,0,0,0,0|1,0,0]=2 1659 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210210 [0,1,0,0,0,0|1,0,0]=2 1660 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210211 [0,1,0,0,0,0|1,0,0]=2 1661 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210210 [0,1,0,0,0,0|1,0,0]=2 1662 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210211 [0,1,0,0,0,0|1,0,0]=2 1663 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210210 [0,1,0,0,0,0|1,0,0]=2 1664 B17R2.2015 CCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210211 [0,1,0,0,0,0|1,0,0]=2 1665 B17R2.2015 CCCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210210 [0,1,0,0,0,0|2,0,0]=3 1666 B17R2.2015 CCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210210 [0,1,0,0,0,0|1,0,0]=2 1667 B17R2.2015 CCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210211 [0,1,0,0,0,0|1,0,0]=2 1668 B17R2.2015 CCCCSc1cc2[nH]c(=O)ccc2cn1 62a_100000210211_100010563892 [0,1,0,0,0,0|2,1,0]=4 1669 B17R2.2015 CCCCSc1cc2cc(ccc2cn1)F 62a_100000210211_100009828686 [0,1,0,0,0,0|1,1,0]=3 1670 B17R2.2015 CCCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210210 [0,1,0,0,0,0|1,1,0]=3 1671 B17R2.2015 CCCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210211_100009816120 [0,1,0,0,0,0|1,1,0]=3 1672 B17R2.2015 CCCCSc1ccc2ccc(=O)oc2c1 62a_100000210211_100009993525 [0,1,0,0,0,0|1,1,0]=3 1673 B17R2.2015 CCCCSc1ccc2ccc(cc2c1)N 62a_100000210211_100010090036 [0,1,0,0,0,0|0,1,0]=2 1674 B17R2.2015 CCCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210210 [0,1,0,0,0,0|0,1,0]=2 1675 B17R2.2015 CCCCSc1ccc2ccc(cc2c1)O 62a_100000210211_100009816537 [0,1,0,0,0,0|0,1,0]=2 1676 B17R2.2015 CCCCSc1ccc2ccc(cc2n1)O 62a_100000210211_100000079174 [0,1,0,0,0,0|1,1,0]=3 1677 B17R2.2015 CCCCSc1ccc2ccc(nc2c1)C 62a_100000210211_100009817087 [0,1,0,0,0,0|1,1,0]=3 1678 B17R2.2015 CCCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000210210 [0,1,0,0,0,0|1,1,0]=3 1679 B17R2.2015 CCCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000210210 [0,1,0,0,0,0|1,1,0]=3 1680 B17R2.2015 CCCCSc1ccc2ccc(nc2c1)O 62a_100000210211_100000690401 [0,1,0,0,0,0|1,1,0]=3 1681 B17R2.2015 CCCCSc1ccc2ccc(nc2n1)N 62a_100000117679_100000210210 [0,1,0,0,0,0|2,1,0]=4 1682 B17R2.2015 CCCCSc1ccc2ccc(nc2n1)N 62a_100000210211_100000117679 [0,1,0,0,0,0|2,1,0]=4 1683 B17R2.2015 CCCCSc1ccc2ccc(nc2n1)O 62a_100000210211_200010218124 [0,1,0,0,0,0|2,1,0]=4 1684 B17R2.2015 CCCCSc1ccc2cnc(cc2c1)F 62a_100000210211_100010291885 [0,1,0,0,0,0|1,1,0]=3 1685 B17R2.2015 CCCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210210 [0,1,0,0,0,0|1,1,0]=3 1686 B17R2.2015 CCCCSc1ccc2cnc(cc2c1)N 62a_100000210211_100009817123 [0,1,0,0,0,0|1,1,0]=3 1687 B17R2.2015 CCCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000210210 [0,1,0,0,0,0|1,1,0]=3 1688 B17R2.2015 CCCCSc1ccc2cnc(cc2c1)O 62a_100000210211_100009817130 [0,1,0,0,0,0|1,1,0]=3 1689 B17R2.2015 CCCCSc1ccc2cnc(nc2c1)C 62a_100000210211_100010233817 [0,1,0,0,0,0|2,1,0]=4 1690 B17R2.2015 CCCCSc1ccc2cnc(nc2c1)C 62a_100010233817_100000210210 [0,1,0,0,0,0|2,1,0]=4 1691 B17R2.2015 CCCCSc1ccc2cnc(nc2c1)N 62a_100000210211_100010199760 [0,1,0,0,0,0|2,1,0]=4 1692 B17R2.2015 CCCCSc1ccc2cnc(nc2c1)N 62a_100010199760_100000210210 [0,1,0,0,0,0|2,1,0]=4 1693 B17R2.2015 CCCCSc1ccc2ncc(cc2c1)Br 62a_100000210211_200010254249 [0,1,0,0,0,0|1,1,0]=3 1694 B17R2.2015 CCCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210210 [0,1,0,0,0,0|1,1,0]=3 1695 B17R2.2015 CCCCSc1ccc2ncc(cc2c1)C 62a_100000210211_100009817055 [0,1,0,0,0,0|1,1,0]=3 1696 B17R2.2015 CCCCSc1ccc2ncc(cc2c1)O 62a_100000210211_100000703654 [0,1,0,0,0,0|1,1,0]=3 1697 B17R2.2015 CCCCSc1ccc2ncc(cc2n1)F 62a_100000210211_100009889179 [0,1,0,0,0,0|2,1,0]=4 1698 B17R2.2015 CCCCSc1ccc2ncc(cc2n1)F 62a_100009889179_100000210210 [0,1,0,0,0,0|2,1,0]=4 1699 B17R2.2015 CCCCSc1ccc2ncc(nc2c1)N 62a_100000210211_100010090528 [0,1,0,0,0,0|2,1,0]=4 1700 B17R2.2015 CCCCSc1ccc2ncc(nc2c1)N 62a_100010090528_100000210210 [0,1,0,0,0,0|2,1,0]=4 1701 B17R2.2015 CCCCSc1ccc2ncc(nc2c1)O 62a_100000210211_100010000190 [0,1,0,0,0,0|2,1,0]=4 1702 B17R2.2015 CCCCSc1cnc2ccc(cc2c1)Br 62a_100000210211_100010740133 [0,1,0,0,0,0|1,1,0]=3 1703 B17R2.2015 CCCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000210210 [0,1,0,0,0,0|1,1,0]=3 1704 B17R2.2015 CCCCSc1cnc2ccc(cc2c1)C 62a_100000210211_100015841224 [0,1,0,0,0,0|1,1,0]=3 1705 B17R2.2015 CCCCSc1cnc2ccc(cc2c1)Cl 62a_100000210211_100015929906 [0,1,0,0,0,0|1,1,0]=3 1706 B17R2.2015 CCCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000210210 [0,1,0,0,0,0|1,1,0]=3 1707 B17R2.2015 CCCCSc1cnc2ccc(cc2c1)N 62a_100000210211_100009888932 [0,1,0,0,0,0|1,1,0]=3 1708 B17R2.2015 CCCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000210210 [0,1,0,0,0,0|1,1,0]=3 1709 B17R2.2015 CCCCSc1cnc2ccc(cc2c1)O 62a_100000210211_100010137430 [0,1,0,0,0,0|1,1,0]=3 1710 B17R2.2015 CCCCSc1cnc2ccc(cc2n1)O 62a_100000210211_200020640061 [0,1,0,0,0,0|2,1,0]=4 1711 B17R2.2015 CCCCSc1cnc2ccc(nc2c1)O 62a_100000210211_100010009477 [0,1,0,0,0,0|2,1,0]=4 1712 B17R2.2015 CCCCSc1ncc2ccc(cc2n1)F 62a_100000104070_100000210210 [0,1,0,0,0,0|2,1,0]=4 1713 B17R2.2015 CCCCSc1ncc2ccc(cc2n1)F 62a_100000210211_100000104070 [0,1,0,0,0,0|2,1,0]=4 1714 B17R2.2015 CCCNCc1ccc2ccc(cc2c1)Br 207a_100020643023_100010200085 [0,1,0,0,0,0|2,0,0]=3 1715 B17R2.2015 CCCNCc1ccc2ccc(cc2c1)Br 270004a_100020643023_100010200085 [0,1,0,0,0,0|2,0,0]=3 1716 B17R2.2015 CCCNCc1ccc2ccc(cc2n1)Cl 207a_100020643023_100000083681 [0,1,0,0,0,0|3,0,0]=4 1717 B17R2.2015 CCCNCc1ccc2ccc(cc2n1)Cl 270004a_100020643023_100000083681 [0,1,0,0,0,0|3,0,0]=4 1718 B17R2.2015 CCCNCc1cnc2ccc(cc2c1)Br 207a_100020643023_100010174008 [0,1,0,0,0,0|3,0,0]=4 1719 B17R2.2015 CCCNCc1cnc2ccc(cc2c1)Br 270004a_100020643023_100010174008 [0,1,0,0,0,0|3,0,0]=4 1720 B17R2.2015 CCCNCc1cnc2ccc(cc2c1)Cl 207a_100020643023_200000110299 [0,1,0,0,0,0|3,0,0]=4 1721 B17R2.2015 CCCNCc1cnc2ccc(cc2c1)Cl 270004a_100020643023_200000110299 [0,1,0,0,0,0|3,0,0]=4 1722 B17R2.2015 CCCOCc1ccc2ccc(cc2n1)Cl 34a_100000210258_100010196396 [0,1,0,0,0,0|3,0,0]=4 1723 B17R2.2015 CCCSCc1ccc2ccc(cc2n1)Cl 62a_100000210303_100010196396 [0,1,0,0,0,0|3,0,0]=4 1724 B17R2.2015 CCCSCc1ccc2ccc(cc2n1)Cl 62a_100010196396_100000210303 [0,1,0,0,0,0|3,0,0]=4 1725 B17R2.2015 CCNN=Cc1ccc2ccc(cc2c1)Br 4a_100000756455_100010200085 [0,1,0,0,0,0|3,0,0]=4 1726 B17R2.2015 CCOC=Cc1ccc2ccc(cc2c1)N 271570a_100016256518_100010090036 [0,1,0,0,0,0|2,0,1]=4 1727 B17R2.2015 CCOC=Cc1ccc2ccc(cc2c1)O 271570a_100016256518_100009816537 [0,1,0,0,0,0|2,0,1]=4 1728 B17R2.2015 CCOCSc1cc2cc(ccc2cn1)F 62a_100000739092_100009828686 [0,1,0,0,0,0|2,1,0]=4 1729 B17R2.2015 CCOCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000739092 [0,1,0,0,0,0|2,1,0]=4 1730 B17R2.2015 CCOCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000739092_100009816120 [0,1,0,0,0,0|2,1,0]=4 1731 B17R2.2015 CCOCSc1ccc2ccc(=O)oc2c1 62a_100000739092_100009993525 [0,1,0,0,0,0|2,1,0]=4 1732 B17R2.2015 CCOCSc1ccc2ccc(cc2c1)N 62a_100000739092_100010090036 [0,1,0,0,0,0|1,1,0]=3 1733 B17R2.2015 CCOCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000739092 [0,1,0,0,0,0|1,1,0]=3 1734 B17R2.2015 CCOCSc1ccc2ccc(cc2c1)O 62a_100000739092_100009816537 [0,1,0,0,0,0|1,1,0]=3 1735 B17R2.2015 CCOCSc1ccc2ccc(cc2n1)O 62a_100000739092_100000079174 [0,1,0,0,0,0|2,1,0]=4 1736 B17R2.2015 CCOCSc1ccc2ccc(nc2c1)C 62a_100000739092_100009817087 [0,1,0,0,0,0|2,1,0]=4 1737 B17R2.2015 CCOCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000739092 [0,1,0,0,0,0|2,1,0]=4 1738 B17R2.2015 CCOCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000739092 [0,1,0,0,0,0|2,1,0]=4 1739 B17R2.2015 CCOCSc1ccc2ccc(nc2c1)O 62a_100000739092_100000690401 [0,1,0,0,0,0|2,1,0]=4 1740 B17R2.2015 CCOCSc1ccc2cnc(cc2c1)F 62a_100000739092_100010291885 [0,1,0,0,0,0|2,1,0]=4 1741 B17R2.2015 CCOCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000739092 [0,1,0,0,0,0|2,1,0]=4 1742 B17R2.2015 CCOCSc1ccc2cnc(cc2c1)N 62a_100000739092_100009817123 [0,1,0,0,0,0|2,1,0]=4 1743 B17R2.2015 CCOCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000739092 [0,1,0,0,0,0|2,1,0]=4 1744 B17R2.2015 CCOCSc1ccc2cnc(cc2c1)O 62a_100000739092_100009817130 [0,1,0,0,0,0|2,1,0]=4 1745 B17R2.2015 CCOCSc1ccc2ncc(cc2c1)Br 62a_100000739092_200010254249 [0,1,0,0,0,0|2,1,0]=4 1746 B17R2.2015 CCOCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000739092 [0,1,0,0,0,0|2,1,0]=4 1747 B17R2.2015 CCOCSc1ccc2ncc(cc2c1)C 62a_100000739092_100009817055 [0,1,0,0,0,0|2,1,0]=4 1748 B17R2.2015 CCOCSc1ccc2ncc(cc2c1)O 62a_100000739092_100000703654 [0,1,0,0,0,0|2,1,0]=4 1749 B17R2.2015 CCOCSc1cnc2ccc(cc2c1)Br 62a_100000739092_100010740133 [0,1,0,0,0,0|2,1,0]=4 1750 B17R2.2015 CCOCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000739092 [0,1,0,0,0,0|2,1,0]=4 1751 B17R2.2015 CCOCSc1cnc2ccc(cc2c1)C 62a_100000739092_100015841224 [0,1,0,0,0,0|2,1,0]=4 1752 B17R2.2015 CCOCSc1cnc2ccc(cc2c1)Cl 62a_100000739092_100015929906 [0,1,0,0,0,0|2,1,0]=4 1753 B17R2.2015 CCOCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000739092 [0,1,0,0,0,0|2,1,0]=4 1754 B17R2.2015 CCOCSc1cnc2ccc(cc2c1)N 62a_100000739092_100009888932 [0,1,0,0,0,0|2,1,0]=4 1755 B17R2.2015 CCOCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000739092 [0,1,0,0,0,0|2,1,0]=4 1756 B17R2.2015 CCOCSc1cnc2ccc(cc2c1)O 62a_100000739092_100010137430 [0,1,0,0,0,0|2,1,0]=4 1757 B17R2.2015 COCC=Cc1ccc2ccc(cc2c1)N 271570a_100016286323_100010090036 [0,1,0,0,0,0|2,0,1]=4 1758 B17R2.2015 COCC=Cc1ccc2ccc(cc2c1)O 271570a_100016286323_100009816537 [0,1,0,0,0,0|2,0,1]=4 1759 B17R2.2015 COCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011201679 [0,1,0,0,0,0|2,0,0]=3 1760 B17R2.2015 COCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000233755 [0,1,0,0,0,0|2,0,0]=3 1761 B17R2.2015 COCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100011201679 [0,1,0,0,0,0|2,0,0]=3 1762 B17R2.2015 COCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000233755 [0,1,0,0,0,0|2,0,0]=3 1763 B17R2.2015 COCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100011201679 [0,1,0,0,0,0|3,0,0]=4 1764 B17R2.2015 COCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100011201679 [0,1,0,0,0,0|2,0,0]=3 1765 B17R2.2015 COCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100011201679 [0,1,0,0,0,0|2,0,0]=3 1766 B17R2.2015 COCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000233755 [0,1,0,0,0,0|2,0,0]=3 1767 B17R2.2015 COCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011201679 [0,1,0,0,0,0|1,0,0]=2 1768 B17R2.2015 COCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000233755 [0,1,0,0,0,0|1,0,0]=2 1769 B17R2.2015 COCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100011201679 [0,1,0,0,0,0|1,0,0]=2 1770 B17R2.2015 COCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000233755 [0,1,0,0,0,0|1,0,0]=2 1771 B17R2.2015 COCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100011201679 [0,1,0,0,0,0|1,0,0]=2 1772 B17R2.2015 COCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000233755 [0,1,0,0,0,0|1,0,0]=2 1773 B17R2.2015 COCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100011201679 [0,1,0,0,0,0|2,0,0]=3 1774 B17R2.2015 COCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000233755 [0,1,0,0,0,0|2,0,0]=3 1775 B17R2.2015 COCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011201679 [0,1,0,0,0,0|2,0,0]=3 1776 B17R2.2015 COCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000233755 [0,1,0,0,0,0|2,0,0]=3 1777 B17R2.2015 COCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100011201679 [0,1,0,0,0,0|2,0,0]=3 1778 B17R2.2015 COCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000233755 [0,1,0,0,0,0|2,0,0]=3 1779 B17R2.2015 COCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011201679 [0,1,0,0,0,0|2,0,0]=3 1780 B17R2.2015 COCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000233755 [0,1,0,0,0,0|2,0,0]=3 1781 B17R2.2015 COCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100011201679 [0,1,0,0,0,0|2,0,0]=3 1782 B17R2.2015 COCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000233755 [0,1,0,0,0,0|2,0,0]=3 1783 B17R2.2015 COCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100011201679 [0,1,0,0,0,0|3,0,0]=4 1784 B17R2.2015 COCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100011201679 [0,1,0,0,0,0|2,0,0]=3 1785 B17R2.2015 COCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000233755 [0,1,0,0,0,0|2,0,0]=3 1786 B17R2.2015 COCCSc1cc2cc(ccc2cn1)F 62a_100000233755_100009828686 [0,1,0,0,0,0|2,1,0]=4 1787 B17R2.2015 COCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000233755 [0,1,0,0,0,0|2,1,0]=4 1788 B17R2.2015 COCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000233755_100009816120 [0,1,0,0,0,0|2,1,0]=4 1789 B17R2.2015 COCCSc1ccc2ccc(=O)oc2c1 62a_100000233755_100009993525 [0,1,0,0,0,0|2,1,0]=4 1790 B17R2.2015 COCCSc1ccc2ccc(cc2c1)N 62a_100000233755_100010090036 [0,1,0,0,0,0|1,1,0]=3 1791 B17R2.2015 COCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000233755 [0,1,0,0,0,0|1,1,0]=3 1792 B17R2.2015 COCCSc1ccc2ccc(cc2c1)O 62a_100000233755_100009816537 [0,1,0,0,0,0|1,1,0]=3 1793 B17R2.2015 COCCSc1ccc2ccc(cc2n1)O 62a_100000233755_100000079174 [0,1,0,0,0,0|2,1,0]=4 1794 B17R2.2015 COCCSc1ccc2ccc(nc2c1)C 62a_100000233755_100009817087 [0,1,0,0,0,0|2,1,0]=4 1795 B17R2.2015 COCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000233755 [0,1,0,0,0,0|2,1,0]=4 1796 B17R2.2015 COCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000233755 [0,1,0,0,0,0|2,1,0]=4 1797 B17R2.2015 COCCSc1ccc2ccc(nc2c1)O 62a_100000233755_100000690401 [0,1,0,0,0,0|2,1,0]=4 1798 B17R2.2015 COCCSc1ccc2cnc(cc2c1)F 62a_100000233755_100010291885 [0,1,0,0,0,0|2,1,0]=4 1799 B17R2.2015 COCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000233755 [0,1,0,0,0,0|2,1,0]=4 1800 B17R2.2015 COCCSc1ccc2cnc(cc2c1)N 62a_100000233755_100009817123 [0,1,0,0,0,0|2,1,0]=4 1801 B17R2.2015 COCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000233755 [0,1,0,0,0,0|2,1,0]=4 1802 B17R2.2015 COCCSc1ccc2cnc(cc2c1)O 62a_100000233755_100009817130 [0,1,0,0,0,0|2,1,0]=4 1803 B17R2.2015 COCCSc1ccc2ncc(cc2c1)Br 62a_100000233755_200010254249 [0,1,0,0,0,0|2,1,0]=4 1804 B17R2.2015 COCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000233755 [0,1,0,0,0,0|2,1,0]=4 1805 B17R2.2015 COCCSc1ccc2ncc(cc2c1)C 62a_100000233755_100009817055 [0,1,0,0,0,0|2,1,0]=4 1806 B17R2.2015 COCCSc1ccc2ncc(cc2c1)O 62a_100000233755_100000703654 [0,1,0,0,0,0|2,1,0]=4 1807 B17R2.2015 COCCSc1cnc2ccc(cc2c1)Br 62a_100000233755_100010740133 [0,1,0,0,0,0|2,1,0]=4 1808 B17R2.2015 COCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000233755 [0,1,0,0,0,0|2,1,0]=4 1809 B17R2.2015 COCCSc1cnc2ccc(cc2c1)C 62a_100000233755_100015841224 [0,1,0,0,0,0|2,1,0]=4 1810 B17R2.2015 COCCSc1cnc2ccc(cc2c1)Cl 62a_100000233755_100015929906 [0,1,0,0,0,0|2,1,0]=4 1811 B17R2.2015 COCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000233755 [0,1,0,0,0,0|2,1,0]=4 1812 B17R2.2015 COCCSc1cnc2ccc(cc2c1)N 62a_100000233755_100009888932 [0,1,0,0,0,0|2,1,0]=4 1813 B17R2.2015 COCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000233755 [0,1,0,0,0,0|2,1,0]=4 1814 B17R2.2015 COCCSc1cnc2ccc(cc2c1)O 62a_100000233755_100010137430 [0,1,0,0,0,0|2,1,0]=4 1815 B17R2.2015 CSCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000212216 [0,1,0,0,0,0|2,0,0]=3 1816 B17R2.2015 CSCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000212216 [0,1,0,0,0,0|2,0,0]=3 1817 B17R2.2015 CSCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000212216 [0,1,0,0,0,0|2,0,0]=3 1818 B17R2.2015 CSCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000212216 [0,1,0,0,0,0|2,0,0]=3 1819 B17R2.2015 CSCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000212216 [0,1,0,0,0,0|3,0,0]=4 1820 B17R2.2015 CSCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000212216 [0,1,0,0,0,0|2,0,0]=3 1821 B17R2.2015 CSCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000212216 [0,1,0,0,0,0|2,0,0]=3 1822 B17R2.2015 CSCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000212216 [0,1,0,0,0,0|2,0,0]=3 1823 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000212216 [0,1,0,0,0,0|1,0,0]=2 1824 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000212216 [0,1,0,0,0,0|1,0,0]=2 1825 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000212216 [0,1,0,0,0,0|1,0,0]=2 1826 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000212216 [0,1,0,0,0,0|1,0,0]=2 1827 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000212216 [0,1,0,0,0,0|1,0,0]=2 1828 B17R2.2015 CSCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000212216 [0,1,0,0,0,0|1,0,0]=2 1829 B17R2.2015 CSCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000212216 [0,1,0,0,0,0|2,0,0]=3 1830 B17R2.2015 CSCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000212216 [0,1,0,0,0,0|2,0,0]=3 1831 B17R2.2015 CSCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000212216 [0,1,0,0,0,0|2,0,0]=3 1832 B17R2.2015 CSCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000212216 [0,1,0,0,0,0|2,0,0]=3 1833 B17R2.2015 CSCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000212216 [0,1,0,0,0,0|2,0,0]=3 1834 B17R2.2015 CSCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000212216 [0,1,0,0,0,0|2,0,0]=3 1835 B17R2.2015 CSCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000212216 [0,1,0,0,0,0|2,0,0]=3 1836 B17R2.2015 CSCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000212216 [0,1,0,0,0,0|2,0,0]=3 1837 B17R2.2015 CSCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000212216 [0,1,0,0,0,0|2,0,0]=3 1838 B17R2.2015 CSCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000212216 [0,1,0,0,0,0|2,0,0]=3 1839 B17R2.2015 CSCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000212216 [0,1,0,0,0,0|3,0,0]=4 1840 B17R2.2015 CSCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000212216 [0,1,0,0,0,0|2,0,0]=3 1841 B17R2.2015 CSCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000212216 [0,1,0,0,0,0|2,0,0]=3 1842 B17R2.2015 CSCCSc1cc2cc(ccc2cn1)F 62a_100000212216_100009828686 [0,1,0,0,0,0|2,1,0]=4 1843 B17R2.2015 CSCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000751147 [0,1,0,0,0,0|2,1,0]=4 1844 B17R2.2015 CSCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000212216_100009816120 [0,1,0,0,0,0|2,1,0]=4 1845 B17R2.2015 CSCCSc1ccc2ccc(=O)oc2c1 62a_100000212216_100009993525 [0,1,0,0,0,0|2,1,0]=4 1846 B17R2.2015 CSCCSc1ccc2ccc(cc2c1)N 62a_100000212216_100010090036 [0,1,0,0,0,0|1,1,0]=3 1847 B17R2.2015 CSCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000751147 [0,1,0,0,0,0|1,1,0]=3 1848 B17R2.2015 CSCCSc1ccc2ccc(cc2c1)O 62a_100000212216_100009816537 [0,1,0,0,0,0|1,1,0]=3 1849 B17R2.2015 CSCCSc1ccc2ccc(cc2n1)O 62a_100000212216_100000079174 [0,1,0,0,0,0|2,1,0]=4 1850 B17R2.2015 CSCCSc1ccc2ccc(nc2c1)C 62a_100000212216_100009817087 [0,1,0,0,0,0|2,1,0]=4 1851 B17R2.2015 CSCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000751147 [0,1,0,0,0,0|2,1,0]=4 1852 B17R2.2015 CSCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000751147 [0,1,0,0,0,0|2,1,0]=4 1853 B17R2.2015 CSCCSc1ccc2ccc(nc2c1)O 62a_100000212216_100000690401 [0,1,0,0,0,0|2,1,0]=4 1854 B17R2.2015 CSCCSc1ccc2cnc(cc2c1)F 62a_100000212216_100010291885 [0,1,0,0,0,0|2,1,0]=4 1855 B17R2.2015 CSCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000751147 [0,1,0,0,0,0|2,1,0]=4 1856 B17R2.2015 CSCCSc1ccc2cnc(cc2c1)N 62a_100000212216_100009817123 [0,1,0,0,0,0|2,1,0]=4 1857 B17R2.2015 CSCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000751147 [0,1,0,0,0,0|2,1,0]=4 1858 B17R2.2015 CSCCSc1ccc2cnc(cc2c1)O 62a_100000212216_100009817130 [0,1,0,0,0,0|2,1,0]=4 1859 B17R2.2015 CSCCSc1ccc2ncc(cc2c1)Br 62a_100000212216_200010254249 [0,1,0,0,0,0|2,1,0]=4 1860 B17R2.2015 CSCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000751147 [0,1,0,0,0,0|2,1,0]=4 1861 B17R2.2015 CSCCSc1ccc2ncc(cc2c1)C 62a_100000212216_100009817055 [0,1,0,0,0,0|2,1,0]=4 1862 B17R2.2015 CSCCSc1ccc2ncc(cc2c1)O 62a_100000212216_100000703654 [0,1,0,0,0,0|2,1,0]=4 1863 B17R2.2015 CSCCSc1cnc2ccc(cc2c1)Br 62a_100000212216_100010740133 [0,1,0,0,0,0|2,1,0]=4 1864 B17R2.2015 CSCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000751147 [0,1,0,0,0,0|2,1,0]=4 1865 B17R2.2015 CSCCSc1cnc2ccc(cc2c1)C 62a_100000212216_100015841224 [0,1,0,0,0,0|2,1,0]=4 1866 B17R2.2015 CSCCSc1cnc2ccc(cc2c1)Cl 62a_100000212216_100015929906 [0,1,0,0,0,0|2,1,0]=4 1867 B17R2.2015 CSCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000751147 [0,1,0,0,0,0|2,1,0]=4 1868 B17R2.2015 CSCCSc1cnc2ccc(cc2c1)N 62a_100000212216_100009888932 [0,1,0,0,0,0|2,1,0]=4 1869 B17R2.2015 CSCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000751147 [0,1,0,0,0,0|2,1,0]=4 1870 B17R2.2015 CSCCSc1cnc2ccc(cc2c1)O 62a_100000212216_100010137430 [0,1,0,0,0,0|2,1,0]=4 1871 B17R2.2015 Cc1ccc2ccc(cc2c1)OCCC#N 7a_100000091598_100000184422 [0,1,0,0,0,0|1,0,1]=3 1872 B17R2.2015 Cc1ccc2ccc(cc2c1)OCCCF 34a_100000091598_100011934791 [0,1,0,0,0,0|1,0,0]=2 1873 B17R2.2015 Cc1ccc2ccc(cc2c1)OCCCF 7a_100000091598_100011934791 [0,1,0,0,0,0|1,0,0]=2 1874 B17R2.2015 Cc1ccc2ccc(cc2c1)OCCCO 34a_100000091598_100000230001 [0,1,0,0,0,0|1,0,0]=2 1875 B17R2.2015 Cc1ccc2ccc(cc2c1)OCCCO 7a_100000091598_100011215043 [0,1,0,0,0,0|1,0,0]=2 1876 B17R2.2015 Cc1ccc2ccc(cc2n1)OCCC#N 7a_100009867695_100000184422 [0,1,0,0,0,0|2,0,1]=4 1877 B17R2.2015 Cc1ccc2ccc(cc2n1)OCCCF 34a_100009867695_100011934791 [0,1,0,0,0,0|2,0,0]=3 1878 B17R2.2015 Cc1ccc2ccc(cc2n1)OCCCF 7a_100009867695_100011934791 [0,1,0,0,0,0|2,0,0]=3 1879 B17R2.2015 Cc1ccc2ccc(cc2n1)OCCCO 34a_100009867695_100000230001 [0,1,0,0,0,0|2,0,0]=3 1880 B17R2.2015 Cc1ccc2ccc(cc2n1)OCCCO 7a_100009867695_100011215043 [0,1,0,0,0,0|2,0,0]=3 1881 B17R2.2015 Cc1ccc2ccc(cc2n1)SCCCF 62a_100009817087_100011934791 [0,1,0,0,0,0|2,1,0]=4 1882 B17R2.2015 Cc1ccc2ccc(cc2n1)SCCCF 62a_100011934791_100009817087 [0,1,0,0,0,0|2,1,0]=4 1883 B17R2.2015 Cc1ccc2ccc(cc2n1)SCCCO 62a_100009817087_100011215043 [0,1,0,0,0,0|2,1,0]=4 1884 B17R2.2015 Cc1ccc2ccc(cc2n1)SCCCO 62a_100011215043_100009817087 [0,1,0,0,0,0|2,1,0]=4 1885 B17R2.2015 Cc1ccc2ncc(cc2c1)SCCCF 62a_100011934791_100015841224 [0,1,0,0,0,0|2,1,0]=4 1886 B17R2.2015 Cc1ccc2ncc(cc2c1)SCCCO 62a_100011215043_100015841224 [0,1,0,0,0,0|2,1,0]=4 1887 B17R2.2015 Cc1cnc2ccc(cc2c1)SCCCF 62a_100011934791_100009817055 [0,1,0,0,0,0|2,1,0]=4 1888 B17R2.2015 Cc1cnc2ccc(cc2c1)SCCCO 62a_100011215043_100009817055 [0,1,0,0,0,0|2,1,0]=4 1889 B17R2.2015 FCCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011934791 [0,1,0,0,0,0|2,0,0]=3 1890 B17R2.2015 FCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011934791 [0,1,0,0,0,0|2,0,0]=3 1891 B17R2.2015 FCCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100011934791 [0,1,0,0,0,0|3,0,0]=4 1892 B17R2.2015 FCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100011934791 [0,1,0,0,0,0|2,0,0]=3 1893 B17R2.2015 FCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011934791 [0,1,0,0,0,0|1,0,0]=2 1894 B17R2.2015 FCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011934791 [0,1,0,0,0,0|1,0,0]=2 1895 B17R2.2015 FCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011934791 [0,1,0,0,0,0|2,0,0]=3 1896 B17R2.2015 FCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011934791 [0,1,0,0,0,0|2,0,0]=3 1897 B17R2.2015 FCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100011934791 [0,1,0,0,0,0|2,0,0]=3 1898 B17R2.2015 FCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100011934791 [0,1,0,0,0,0|2,0,0]=3 1899 B17R2.2015 FCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011934791 [0,1,0,0,0,0|2,0,0]=3 1900 B17R2.2015 FCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011934791 [0,1,0,0,0,0|2,0,0]=3 1901 B17R2.2015 FCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100011934791 [0,1,0,0,0,0|2,0,0]=3 1902 B17R2.2015 FCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100011934791 [0,1,0,0,0,0|2,0,0]=3 1903 B17R2.2015 FCCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100011934791 [0,1,0,0,0,0|3,0,0]=4 1904 B17R2.2015 FCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100011934791 [0,1,0,0,0,0|2,0,0]=3 1905 B17R2.2015 FCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100011934791 [0,1,0,0,0,0|2,0,0]=3 1906 B17R2.2015 FCCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100011934791 [0,1,0,0,0,0|2,1,0]=4 1907 B17R2.2015 FCCCSc1cc2cc(ccc2cn1)F 62a_100011934791_100009828686 [0,1,0,0,0,0|2,1,0]=4 1908 B17R2.2015 FCCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100011934791 [0,1,0,0,0,0|2,1,0]=4 1909 B17R2.2015 FCCCSc1ccc2cnc(cc2c1)F 62a_100011934791_100010291885 [0,1,0,0,0,0|2,1,0]=4 1910 B17R2.2015 FCCCSc1ccc2ncc(cc2c1)Br 62a_100011934791_200010254249 [0,1,0,0,0,0|2,1,0]=4 1911 B17R2.2015 FCCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100011934791 [0,1,0,0,0,0|2,1,0]=4 1912 B17R2.2015 FCCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100011934791 [0,1,0,0,0,0|2,1,0]=4 1913 B17R2.2015 FCCCSc1cnc2ccc(cc2c1)Br 62a_100011934791_100010740133 [0,1,0,0,0,0|2,1,0]=4 1914 B17R2.2015 FCCCSc1cnc2ccc(cc2c1)Cl 62a_100011934791_100015929906 [0,1,0,0,0,0|2,1,0]=4 1915 B17R2.2015 FCCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100011934791 [0,1,0,0,0,0|2,1,0]=4 1916 B17R2.2015 N#CCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000184422 [0,1,0,0,0,0|2,0,1]=4 1917 B17R2.2015 N#CCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000184422 [0,1,0,0,0,0|2,0,1]=4 1918 B17R2.2015 N#CCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000184422 [0,1,0,0,0,0|2,0,1]=4 1919 B17R2.2015 N#CCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000184422 [0,1,0,0,0,0|1,0,1]=3 1920 B17R2.2015 N#CCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000184422 [0,1,0,0,0,0|1,0,1]=3 1921 B17R2.2015 N#CCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000184422 [0,1,0,0,0,0|2,0,1]=4 1922 B17R2.2015 N#CCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000184422 [0,1,0,0,0,0|2,0,1]=4 1923 B17R2.2015 N#CCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000184422 [0,1,0,0,0,0|2,0,1]=4 1924 B17R2.2015 N#CCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000184422 [0,1,0,0,0,0|2,0,1]=4 1925 B17R2.2015 N#CCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000184422 [0,1,0,0,0,0|2,0,1]=4 1926 B17R2.2015 N#CCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100011215226 [0,1,0,0,0,0|1,1,1]=4 1927 B17R2.2015 N#CCCSc1ccc2ccc(cc2c1)N 62a_100011215226_100010090036 [0,1,0,0,0,0|1,1,1]=4 1928 B17R2.2015 N#CCCSc1ccc2ccc(cc2c1)O 62a_100011215226_100009816537 [0,1,0,0,0,0|1,1,1]=4 1929 B17R2.2015 Nc1cc2cc(ccc2cn1)SCCCF 62a_100009817123_100011934791 [0,1,0,0,0,0|2,1,0]=4 1930 B17R2.2015 Nc1cc2cc(ccc2cn1)SCCCF 62a_100011934791_100009817123 [0,1,0,0,0,0|2,1,0]=4 1931 B17R2.2015 Nc1cc2cc(ccc2cn1)SCCCO 62a_100009817123_100011215043 [0,1,0,0,0,0|2,1,0]=4 1932 B17R2.2015 Nc1cc2cc(ccc2cn1)SCCCO 62a_100011215043_100009817123 [0,1,0,0,0,0|2,1,0]=4 1933 B17R2.2015 Nc1ccc2ccc(cc2c1)OCCCF 34a_100015378740_100011934791 [0,1,0,0,0,0|1,0,0]=2 1934 B17R2.2015 Nc1ccc2ccc(cc2c1)OCCCF 7a_100015378740_100011934791 [0,1,0,0,0,0|1,0,0]=2 1935 B17R2.2015 Nc1ccc2ccc(cc2c1)OCCCO 34a_100015378740_100000230001 [0,1,0,0,0,0|1,0,0]=2 1936 B17R2.2015 Nc1ccc2ccc(cc2c1)OCCCO 7a_100015378740_100011215043 [0,1,0,0,0,0|1,0,0]=2 1937 B17R2.2015 Nc1ccc2ccc(cc2c1)SCCCF 62a_100010090036_100011934791 [0,1,0,0,0,0|1,1,0]=3 1938 B17R2.2015 Nc1ccc2ccc(cc2c1)SCCCF 62a_100011934791_100010090036 [0,1,0,0,0,0|1,1,0]=3 1939 B17R2.2015 Nc1ccc2ccc(cc2c1)SCCCO 62a_100010090036_100011215043 [0,1,0,0,0,0|1,1,0]=3 1940 B17R2.2015 Nc1ccc2ccc(cc2c1)SCCCO 62a_100011215043_100010090036 [0,1,0,0,0,0|1,1,0]=3 1941 B17R2.2015 Nc1ccc2ccc(cc2n1)SCCCF 62a_100010187616_100011934791 [0,1,0,0,0,0|2,1,0]=4 1942 B17R2.2015 Nc1ccc2ccc(cc2n1)SCCCO 62a_100010187616_100011215043 [0,1,0,0,0,0|2,1,0]=4 1943 B17R2.2015 Nc1ccc2ncc(cc2c1)SCCCF 62a_100009888932_100011934791 [0,1,0,0,0,0|2,1,0]=4 1944 B17R2.2015 Nc1ccc2ncc(cc2c1)SCCCF 62a_100011934791_100009888932 [0,1,0,0,0,0|2,1,0]=4 1945 B17R2.2015 Nc1ccc2ncc(cc2c1)SCCCO 62a_100009888932_100011215043 [0,1,0,0,0,0|2,1,0]=4 1946 B17R2.2015 Nc1ccc2ncc(cc2c1)SCCCO 62a_100011215043_100009888932 [0,1,0,0,0,0|2,1,0]=4 1947 B17R2.2015 O=c1ccc2ccc(cc2o1)OCCCF 34a_100000185914_100011934791 [0,1,0,0,0,0|2,0,0]=3 1948 B17R2.2015 O=c1ccc2ccc(cc2o1)OCCCF 7a_100000185914_100011934791 [0,1,0,0,0,0|2,0,0]=3 1949 B17R2.2015 O=c1ccc2ccc(cc2o1)OCCCO 34a_100000185914_100000230001 [0,1,0,0,0,0|2,0,0]=3 1950 B17R2.2015 O=c1ccc2ccc(cc2o1)OCCCO 7a_100000185914_100011215043 [0,1,0,0,0,0|2,0,0]=3 1951 B17R2.2015 O=c1ccc2ccc(cc2o1)SCCCF 62a_100011934791_100009993525 [0,1,0,0,0,0|2,1,0]=4 1952 B17R2.2015 O=c1ccc2ccc(cc2o1)SCCCO 62a_100011215043_100009993525 [0,1,0,0,0,0|2,1,0]=4 1953 B17R2.2015 OCCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000230001 [0,1,0,0,0,0|2,0,0]=3 1954 B17R2.2015 OCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011215043 [0,1,0,0,0,0|2,0,0]=3 1955 B17R2.2015 OCCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000230001 [0,1,0,0,0,0|2,0,0]=3 1956 B17R2.2015 OCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100011215043 [0,1,0,0,0,0|2,0,0]=3 1957 B17R2.2015 OCCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000230001 [0,1,0,0,0,0|3,0,0]=4 1958 B17R2.2015 OCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000230001 [0,1,0,0,0,0|2,0,0]=3 1959 B17R2.2015 OCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000230001 [0,1,0,0,0,0|1,0,0]=2 1960 B17R2.2015 OCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011215043 [0,1,0,0,0,0|1,0,0]=2 1961 B17R2.2015 OCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000230001 [0,1,0,0,0,0|2,0,0]=3 1962 B17R2.2015 OCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011215043 [0,1,0,0,0,0|2,0,0]=3 1963 B17R2.2015 OCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000230001 [0,1,0,0,0,0|2,0,0]=3 1964 B17R2.2015 OCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100011215043 [0,1,0,0,0,0|2,0,0]=3 1965 B17R2.2015 OCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000230001 [0,1,0,0,0,0|2,0,0]=3 1966 B17R2.2015 OCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011215043 [0,1,0,0,0,0|2,0,0]=3 1967 B17R2.2015 OCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000230001 [0,1,0,0,0,0|2,0,0]=3 1968 B17R2.2015 OCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100011215043 [0,1,0,0,0,0|2,0,0]=3 1969 B17R2.2015 OCCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000230001 [0,1,0,0,0,0|3,0,0]=4 1970 B17R2.2015 OCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000230001 [0,1,0,0,0,0|2,0,0]=3 1971 B17R2.2015 OCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100011215043 [0,1,0,0,0,0|2,0,0]=3 1972 B17R2.2015 OCCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100011215043 [0,1,0,0,0,0|2,1,0]=4 1973 B17R2.2015 OCCCSc1cc2cc(ccc2cn1)F 62a_100011215043_100009828686 [0,1,0,0,0,0|2,1,0]=4 1974 B17R2.2015 OCCCSc1ccc2ccc(cc2c1)O 62a_100011215043_100009816537 [0,1,0,0,0,0|1,1,0]=3 1975 B17R2.2015 OCCCSc1ccc2ccc(cc2n1)O 62a_100011215043_100000079174 [0,1,0,0,0,0|2,1,0]=4 1976 B17R2.2015 OCCCSc1ccc2ccc(nc2c1)O 62a_100011215043_100000690401 [0,1,0,0,0,0|2,1,0]=4 1977 B17R2.2015 OCCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100011215043 [0,1,0,0,0,0|2,1,0]=4 1978 B17R2.2015 OCCCSc1ccc2cnc(cc2c1)F 62a_100011215043_100010291885 [0,1,0,0,0,0|2,1,0]=4 1979 B17R2.2015 OCCCSc1ccc2cnc(cc2c1)O 62a_100011215043_100009817130 [0,1,0,0,0,0|2,1,0]=4 1980 B17R2.2015 OCCCSc1ccc2ncc(cc2c1)Br 62a_100011215043_200010254249 [0,1,0,0,0,0|2,1,0]=4 1981 B17R2.2015 OCCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100011215043 [0,1,0,0,0,0|2,1,0]=4 1982 B17R2.2015 OCCCSc1ccc2ncc(cc2c1)O 62a_100011215043_100000703654 [0,1,0,0,0,0|2,1,0]=4 1983 B17R2.2015 OCCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100011215043 [0,1,0,0,0,0|2,1,0]=4 1984 B17R2.2015 OCCCSc1cnc2ccc(cc2c1)Br 62a_100011215043_100010740133 [0,1,0,0,0,0|2,1,0]=4 1985 B17R2.2015 OCCCSc1cnc2ccc(cc2c1)Cl 62a_100011215043_100015929906 [0,1,0,0,0,0|2,1,0]=4 1986 B17R2.2015 OCCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100011215043 [0,1,0,0,0,0|2,1,0]=4 1987 B17R2.2015 OCCCSc1cnc2ccc(cc2c1)O 62a_100011215043_100010137430 [0,1,0,0,0,0|2,1,0]=4 1988 B17R2.2015 OCCNCc1ccc2ccc(cc2c1)Br 207a_100000210304_100010200085 [0,1,0,0,0,0|3,0,0]=4 1989 B17R2.2015 OCCNCc1ccc2ccc(cc2c1)Br 270004a_100000210304_100010200085 [0,1,0,0,0,0|3,0,0]=4 1990 B17R2.2015 Oc1cc2cc(ccc2cn1)SCCCF 62a_100011934791_100009817130 [0,1,0,0,0,0|2,1,0]=4 1991 B17R2.2015 Oc1ccc2ccc(cc2c1)NCCCF 34a_100015378740_100011934791 [0,1,0,0,0,0|2,0,0]=3 1992 B17R2.2015 Oc1ccc2ccc(cc2c1)NCCCF 7a_100015378740_100011934791 [0,1,0,0,0,0|2,0,0]=3 1993 B17R2.2015 Oc1ccc2ccc(cc2c1)SCCCF 62a_100011934791_100009816537 [0,1,0,0,0,0|1,1,0]=3 1994 B17R2.2015 Oc1ccc2ccc(cc2n1)SCCCF 62a_100011934791_100000690401 [0,1,0,0,0,0|2,1,0]=4 1995 B17R2.2015 Oc1ccc2ccc(nc2c1)SCCCF 62a_100011934791_100000079174 [0,1,0,0,0,0|2,1,0]=4 1996 B17R2.2015 Oc1ccc2ncc(cc2c1)SCCCF 62a_100011934791_100010137430 [0,1,0,0,0,0|2,1,0]=4 1997 B17R2.2015 Oc1cnc2ccc(cc2c1)SCCCF 62a_100011934791_100000703654 [0,1,0,0,0,0|2,1,0]=4 1998 B17R2.2015 [O-][n+]1ccc2ccc(cc2c1)SCCCF 62a_100011934791_100009816120 [0,1,0,0,0,0|2,1,0]=4 1999 B17R2.2015 [O-][n+]1ccc2ccc(cc2c1)SCCCO 62a_100011215043_100009816120 [0,1,0,0,0,0|2,1,0]=4 2000 B17R2.2023 C#CCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000688953 [0,1,0,0,0,0|1,0,2]=4 2001 B17R2.2023 C#CCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000688953 [0,1,0,0,0,0|0,0,2]=3 2002 B17R2.2023 C#CCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000688953 [0,1,0,0,0,0|0,0,2]=3 2003 B17R2.2023 C#CCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000688953 [0,1,0,0,0,0|0,0,2]=3 2004 B17R2.2023 C#CCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000688953 [0,1,0,0,0,0|0,0,2]=3 2005 B17R2.2023 C#CCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000688953 [0,1,0,0,0,0|0,0,2]=3 2006 B17R2.2023 C#CCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000688953 [0,1,0,0,0,0|0,0,2]=3 2007 B17R2.2023 C#CCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000688953 [0,1,0,0,0,0|0,0,2]=3 2008 B17R2.2023 C#CCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000688953 [0,1,0,0,0,0|0,0,2]=3 2009 B17R2.2023 C#CCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000688953 [0,1,0,0,0,0|1,0,2]=4 2010 B17R2.2023 C#CCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000688953 [0,1,0,0,0,0|1,0,2]=4 2011 B17R2.2023 C#CCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000688953 [0,1,0,0,0,0|1,0,2]=4 2012 B17R2.2023 C#CCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000688953 [0,1,0,0,0,0|1,0,2]=4 2013 B17R2.2023 C#CCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000688953 [0,1,0,0,0,0|1,0,2]=4 2014 B17R2.2023 C#CCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000688953 [0,1,0,0,0,0|1,0,2]=4 2015 B17R2.2023 C#CCCSc1ccc2cccc(c2c1)C 62a_100000688953_100010089936 [0,1,0,0,0,0|0,1,2]=4 2016 B17R2.2023 C#CCCSc1ccc2cccc(c2c1)N 62a_100000688953_100010090012 [0,1,0,0,0,0|0,1,2]=4 2017 B17R2.2023 C#CCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000688953 [0,1,0,0,0,0|0,1,2]=4 2018 B17R2.2023 C#CCCSc1ccc2cccc(c2c1)O 62a_100000688953_100010089991 [0,1,0,0,0,0|0,1,2]=4 2019 B17R2.2023 C/C=C/CNc1ccc2cccc(c2c1)O 34a_100132313934_100102629194 [0,1,0,0,0,0|1,0,2]=4 2020 B17R2.2023 C/C=C/COc1ccc2cccc(c2c1)Br 34a_100010169565_100102629194 [0,1,0,0,0,0|0,0,2]=3 2021 B17R2.2023 C/C=C/COc1ccc2cccc(c2c1)Br 7a_100010169565_100102629194 [0,1,0,0,0,0|0,0,2]=3 2022 B17R2.2023 C/C=C/COc1ccc2cccc(c2c1)C 34a_200000091600_100102629194 [0,1,0,0,0,0|0,0,2]=3 2023 B17R2.2023 C/C=C/COc1ccc2cccc(c2c1)C 7a_200000091600_100102629194 [0,1,0,0,0,0|0,0,2]=3 2024 B17R2.2023 C/C=C/COc1ccc2cccc(c2c1)F 34a_100000091619_100102629194 [0,1,0,0,0,0|0,0,2]=3 2025 B17R2.2023 C/C=C/COc1ccc2cccc(c2c1)F 7a_100000091619_100102629194 [0,1,0,0,0,0|0,0,2]=3 2026 B17R2.2023 C/C=C/COc1ccc2cccc(c2c1)N 34a_100000034012_100102629194 [0,1,0,0,0,0|0,0,2]=3 2027 B17R2.2023 C/C=C/COc1ccc2cccc(c2c1)N 7a_100000034012_100102629194 [0,1,0,0,0,0|0,0,2]=3 2028 B17R2.2023 C/C=C/COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100102629194 [0,1,0,0,0,0|1,0,2]=4 2029 B17R2.2023 C/C=C/COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100102629194 [0,1,0,0,0,0|1,0,2]=4 2030 B17R2.2023 C/C=C/COc1ccc2nccc(c2c1)Br 34a_100010204251_100102629194 [0,1,0,0,0,0|1,0,2]=4 2031 B17R2.2023 C/C=C/COc1ccc2nccc(c2c1)Br 7a_100010204251_100102629194 [0,1,0,0,0,0|1,0,2]=4 2032 B17R2.2023 C/C=C/COc1ccc2nccc(c2c1)Cl 34a_100000075933_100102629194 [0,1,0,0,0,0|1,0,2]=4 2033 B17R2.2023 C/C=C/COc1ccc2nccc(c2c1)Cl 7a_100000075933_100102629194 [0,1,0,0,0,0|1,0,2]=4 2034 B17R2.2023 C/C=C/CSc1ccc2cccc(c2c1)C 62a_100102629194_100010089936 [0,1,0,0,0,0|0,1,2]=4 2035 B17R2.2023 C/C=C/CSc1ccc2cccc(c2c1)N 62a_100010090012_100102629194 [0,1,0,0,0,0|0,1,2]=4 2036 B17R2.2023 C/C=C/CSc1ccc2cccc(c2c1)N 62a_100102629194_100010090012 [0,1,0,0,0,0|0,1,2]=4 2037 B17R2.2023 C/C=C/CSc1ccc2cccc(c2c1)O 62a_100102629194_100010089991 [0,1,0,0,0,0|0,1,2]=4 2038 B17R2.2023 C=CCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000754431 [0,1,0,0,0,0|1,0,2]=4 2039 B17R2.2023 C=CCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000754431 [0,1,0,0,0,0|0,0,2]=3 2040 B17R2.2023 C=CCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000754431 [0,1,0,0,0,0|0,0,2]=3 2041 B17R2.2023 C=CCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000754431 [0,1,0,0,0,0|0,0,2]=3 2042 B17R2.2023 C=CCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000754431 [0,1,0,0,0,0|0,0,2]=3 2043 B17R2.2023 C=CCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000754431 [0,1,0,0,0,0|0,0,2]=3 2044 B17R2.2023 C=CCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000754431 [0,1,0,0,0,0|0,0,2]=3 2045 B17R2.2023 C=CCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000754431 [0,1,0,0,0,0|0,0,2]=3 2046 B17R2.2023 C=CCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000754431 [0,1,0,0,0,0|0,0,2]=3 2047 B17R2.2023 C=CCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000754431 [0,1,0,0,0,0|1,0,2]=4 2048 B17R2.2023 C=CCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000754431 [0,1,0,0,0,0|1,0,2]=4 2049 B17R2.2023 C=CCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000754431 [0,1,0,0,0,0|1,0,2]=4 2050 B17R2.2023 C=CCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000754431 [0,1,0,0,0,0|1,0,2]=4 2051 B17R2.2023 C=CCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000754431 [0,1,0,0,0,0|1,0,2]=4 2052 B17R2.2023 C=CCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000754431 [0,1,0,0,0,0|1,0,2]=4 2053 B17R2.2023 C=CCCSc1ccc2cccc(c2c1)C 62a_100000754431_100010089936 [0,1,0,0,0,0|0,1,2]=4 2054 B17R2.2023 C=CCCSc1ccc2cccc(c2c1)N 62a_100000754431_100010090012 [0,1,0,0,0,0|0,1,2]=4 2055 B17R2.2023 C=CCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000754431 [0,1,0,0,0,0|0,1,2]=4 2056 B17R2.2023 C=CCCSc1ccc2cccc(c2c1)O 62a_100000754431_100010089991 [0,1,0,0,0,0|0,1,2]=4 2057 B17R2.2023 CC#CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000748600 [0,1,0,0,0,0|1,0,2]=4 2058 B17R2.2023 CC#CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000748600 [0,1,0,0,0,0|0,0,2]=3 2059 B17R2.2023 CC#CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000748600 [0,1,0,0,0,0|0,0,2]=3 2060 B17R2.2023 CC#CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000748600 [0,1,0,0,0,0|0,0,2]=3 2061 B17R2.2023 CC#CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000748600 [0,1,0,0,0,0|0,0,2]=3 2062 B17R2.2023 CC#CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000748600 [0,1,0,0,0,0|0,0,2]=3 2063 B17R2.2023 CC#CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000748600 [0,1,0,0,0,0|0,0,2]=3 2064 B17R2.2023 CC#CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000748600 [0,1,0,0,0,0|0,0,2]=3 2065 B17R2.2023 CC#CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000748600 [0,1,0,0,0,0|0,0,2]=3 2066 B17R2.2023 CC#CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000748600 [0,1,0,0,0,0|1,0,2]=4 2067 B17R2.2023 CC#CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000748600 [0,1,0,0,0,0|1,0,2]=4 2068 B17R2.2023 CC#CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000748600 [0,1,0,0,0,0|1,0,2]=4 2069 B17R2.2023 CC#CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000748600 [0,1,0,0,0,0|1,0,2]=4 2070 B17R2.2023 CC#CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000748600 [0,1,0,0,0,0|1,0,2]=4 2071 B17R2.2023 CC#CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000748600 [0,1,0,0,0,0|1,0,2]=4 2072 B17R2.2023 CC#CCSc1ccc2cccc(c2c1)C 62a_100000748600_100010089936 [0,1,0,0,0,0|0,1,2]=4 2073 B17R2.2023 CC#CCSc1ccc2cccc(c2c1)N 62a_100000748600_100010090012 [0,1,0,0,0,0|0,1,2]=4 2074 B17R2.2023 CC#CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000748600 [0,1,0,0,0,0|0,1,2]=4 2075 B17R2.2023 CC#CCSc1ccc2cccc(c2c1)O 62a_100000748600_100010089991 [0,1,0,0,0,0|0,1,2]=4 2076 B17R2.2023 CC=CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000070051 [0,1,0,0,0,0|1,0,2]=4 2077 B17R2.2023 CC=CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000070051 [0,1,0,0,0,0|0,0,2]=3 2078 B17R2.2023 CC=CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000070051 [0,1,0,0,0,0|0,0,2]=3 2079 B17R2.2023 CC=CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000070051 [0,1,0,0,0,0|0,0,2]=3 2080 B17R2.2023 CC=CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000070051 [0,1,0,0,0,0|0,0,2]=3 2081 B17R2.2023 CC=CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000070051 [0,1,0,0,0,0|0,0,2]=3 2082 B17R2.2023 CC=CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000070051 [0,1,0,0,0,0|0,0,2]=3 2083 B17R2.2023 CC=CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000070051 [0,1,0,0,0,0|0,0,2]=3 2084 B17R2.2023 CC=CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000070051 [0,1,0,0,0,0|0,0,2]=3 2085 B17R2.2023 CC=CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000070051 [0,1,0,0,0,0|1,0,2]=4 2086 B17R2.2023 CC=CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000070051 [0,1,0,0,0,0|1,0,2]=4 2087 B17R2.2023 CC=CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000070051 [0,1,0,0,0,0|1,0,2]=4 2088 B17R2.2023 CC=CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000070051 [0,1,0,0,0,0|1,0,2]=4 2089 B17R2.2023 CC=CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000070051 [0,1,0,0,0,0|1,0,2]=4 2090 B17R2.2023 CC=CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000070051 [0,1,0,0,0,0|1,0,2]=4 2091 B17R2.2023 CC=CCSc1ccc2cccc(c2c1)C 62a_100000070051_100010089936 [0,1,0,0,0,0|0,1,2]=4 2092 B17R2.2023 CC=CCSc1ccc2cccc(c2c1)N 62a_100000070051_100010090012 [0,1,0,0,0,0|0,1,2]=4 2093 B17R2.2023 CC=CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000070051 [0,1,0,0,0,0|0,1,2]=4 2094 B17R2.2023 CC=CCSc1ccc2cccc(c2c1)O 62a_100000070051_100010089991 [0,1,0,0,0,0|0,1,2]=4 2095 B17R2.2023 CCCC=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100016258520_100000746092 [0,1,0,0,0,0|2,0,1]=4 2096 B17R2.2023 CCCC=Cc1ccc2cccc(c2c1)C 271570a_100016258520_100010089936 [0,1,0,0,0,0|1,0,1]=3 2097 B17R2.2023 CCCC=Cc1ccc2cccc(c2c1)N 271570a_100016258520_100010090012 [0,1,0,0,0,0|1,0,1]=3 2098 B17R2.2023 CCCC=Cc1ccc2cccc(c2c1)O 271570a_100016258520_100010089991 [0,1,0,0,0,0|1,0,1]=3 2099 B17R2.2023 CCCC=Cc1ccc2cccc(c2n1)C 271570a_100016258520_100012002297 [0,1,0,0,0,0|2,0,1]=4 2100 B17R2.2023 CCCC=Cc1ccc2cccc(c2n1)F 271570a_100016258520_100012017632 [0,1,0,0,0,0|2,0,1]=4 2101 B17R2.2023 CCCC=Cc1ccc2cccc(c2n1)O 271570a_100016258520_100010153751 [0,1,0,0,0,0|2,0,1]=4 2102 B17R2.2023 CCCC=Cc1ccc2ccnc(c2c1)C 271570a_100016258520_200010739692 [0,1,0,0,0,0|2,0,1]=4 2103 B17R2.2023 CCCC=Cc1ccc2ccnc(c2c1)N 271570a_100016258520_100012352255 [0,1,0,0,0,0|2,0,1]=4 2104 B17R2.2023 CCCC=Cc1ccc2ccnc(c2c1)O 271570a_100016258520_100000010956 [0,1,0,0,0,0|2,0,1]=4 2105 B17R2.2023 CCCC=Cc1ccc2cncc(c2c1)O 271570a_100016258520_100010136424 [0,1,0,0,0,0|2,0,1]=4 2106 B17R2.2023 CCCC=Cc1ccc2nccc(c2c1)C 271570a_100016258520_100009817033 [0,1,0,0,0,0|2,0,1]=4 2107 B17R2.2023 CCCC=Cc1ccc2nccc(c2c1)Cl 271570a_100016258520_100011310491 [0,1,0,0,0,0|2,0,1]=4 2108 B17R2.2023 CCCC=Cc1ccc2nccc(c2c1)N 271570a_100016258520_100011620571 [0,1,0,0,0,0|2,0,1]=4 2109 B17R2.2023 CCCC=Cc1ccc2occc(=O)c2c1 271570a_100016258520_100009813387 [0,1,0,0,0,0|2,0,1]=4 2110 B17R2.2023 CCCC=Cc1cnc2cccc(c2c1)N 271570a_100016258520_100010264086 [0,1,0,0,0,0|2,0,1]=4 2111 B17R2.2023 CCCC=Cc1cnc2cccc(c2c1)O 271570a_100016258520_200010153752 [0,1,0,0,0,0|2,0,1]=4 2112 B17R2.2023 CCCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210210 [0,1,0,0,0,0|1,0,0]=2 2113 B17R2.2023 CCCCNc1ccc2cccc(c2n1)C 27a_100000102301_100012002297 [0,1,0,0,0,0|2,0,0]=3 2114 B17R2.2023 CCCCNc1ccc2cccc(c2n1)O 27a_100000102301_100010153751 [0,1,0,0,0,0|2,0,0]=3 2115 B17R2.2023 CCCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210210 [0,1,0,0,0,0|2,0,0]=3 2116 B17R2.2023 CCCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210210 [0,1,0,0,0,0|2,0,0]=3 2117 B17R2.2023 CCCCNc1ccc2ncnc(c2c1)C 27a_100000102301_100000700471 [0,1,0,0,0,0|3,0,0]=4 2118 B17R2.2023 CCCCNc1ccc2occc(=O)c2c1 34a_100000088200_100000210210 [0,1,0,0,0,0|2,0,0]=3 2119 B17R2.2023 CCCCOc1ccc2c(c1)C(=O)CCC2 34a_100000723779_100000210210 [0,1,0,0,0,0|0,0,3]=4 2120 B17R2.2023 CCCCOc1ccc2c(c1)C(=O)CCC2 7a_100000723779_100000210211 [0,1,0,0,0,0|0,0,3]=4 2121 B17R2.2023 CCCCOc1ccc2c(c1)C(=O)CCO2 34a_100000078962_100000210210 [0,1,0,0,0,0|1,0,2]=4 2122 B17R2.2023 CCCCOc1ccc2c(c1)C(=O)CCO2 7a_100000078962_100000210211 [0,1,0,0,0,0|1,0,2]=4 2123 B17R2.2023 CCCCOc1ccc2c(c1)C(=O)NCC2 34a_100000081307_100000210210 [0,1,0,0,0,0|1,0,2]=4 2124 B17R2.2023 CCCCOc1ccc2c(c1)C(=O)NCC2 7a_100000081307_100000210211 [0,1,0,0,0,0|1,0,2]=4 2125 B17R2.2023 CCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210210 [0,1,0,0,0,0|0,0,0]=1 2126 B17R2.2023 CCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210211 [0,1,0,0,0,0|0,0,0]=1 2127 B17R2.2023 CCCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000210210 [0,1,0,0,0,0|0,0,0]=1 2128 B17R2.2023 CCCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000210211 [0,1,0,0,0,0|0,0,0]=1 2129 B17R2.2023 CCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210210 [0,1,0,0,0,0|0,0,0]=1 2130 B17R2.2023 CCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210211 [0,1,0,0,0,0|0,0,0]=1 2131 B17R2.2023 CCCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210210 [0,1,0,0,0,0|0,0,0]=1 2132 B17R2.2023 CCCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210211 [0,1,0,0,0,0|0,0,0]=1 2133 B17R2.2023 CCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210210 [0,1,0,0,0,0|1,0,0]=2 2134 B17R2.2023 CCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210211 [0,1,0,0,0,0|1,0,0]=2 2135 B17R2.2023 CCCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210211 [0,1,0,0,0,0|2,0,0]=3 2136 B17R2.2023 CCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210210 [0,1,0,0,0,0|1,0,0]=2 2137 B17R2.2023 CCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210211 [0,1,0,0,0,0|1,0,0]=2 2138 B17R2.2023 CCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210210 [0,1,0,0,0,0|1,0,0]=2 2139 B17R2.2023 CCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210211 [0,1,0,0,0,0|1,0,0]=2 2140 B17R2.2023 CCCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210211_100000746092 [0,1,0,0,0,0|1,1,0]=3 2141 B17R2.2023 CCCCSc1ccc2cccc(c2c1)N 62a_100000210211_100010090012 [0,1,0,0,0,0|0,1,0]=2 2142 B17R2.2023 CCCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210210 [0,1,0,0,0,0|0,1,0]=2 2143 B17R2.2023 CCCCSc1ccc2cccc(c2c1)O 62a_100000210211_100010089991 [0,1,0,0,0,0|0,1,0]=2 2144 B17R2.2023 CCCCSc1ccc2cccc(c2n1)C 62a_100000210211_100012002297 [0,1,0,0,0,0|1,1,0]=3 2145 B17R2.2023 CCCCSc1ccc2cccc(c2n1)F 62a_100000210211_100012017632 [0,1,0,0,0,0|1,1,0]=3 2146 B17R2.2023 CCCCSc1ccc2cccc(c2n1)O 62a_100000210211_100000013812 [0,1,0,0,0,0|1,1,0]=3 2147 B17R2.2023 CCCCSc1ccc2ccnc(c2c1)C 62a_100000210211_200010739692 [0,1,0,0,0,0|1,1,0]=3 2148 B17R2.2023 CCCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000210210 [0,1,0,0,0,0|1,1,0]=3 2149 B17R2.2023 CCCCSc1ccc2ccnc(c2c1)N 62a_100000210211_100012352255 [0,1,0,0,0,0|1,1,0]=3 2150 B17R2.2023 CCCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000210210 [0,1,0,0,0,0|1,1,0]=3 2151 B17R2.2023 CCCCSc1ccc2ccnc(c2c1)O 62a_100000210211_100000010956 [0,1,0,0,0,0|1,1,0]=3 2152 B17R2.2023 CCCCSc1ccc2cn[nH]c(=O)c2c1 62a_100000210211_100015864262 [0,1,0,0,0,0|2,1,0]=4 2153 B17R2.2023 CCCCSc1ccc2cncc(c2c1)O 62a_100000210211_100010136424 [0,1,0,0,0,0|1,1,0]=3 2154 B17R2.2023 CCCCSc1ccc2nc[nH]c(=O)c2c1 62a_100000210211_100000755678 [0,1,0,0,0,0|2,1,0]=4 2155 B17R2.2023 CCCCSc1ccc2nccc(=O)n2c1 62a_100000210211_100010178973 [0,1,0,0,0,0|2,1,0]=4 2156 B17R2.2023 CCCCSc1ccc2nccc(=O)n2c1 62a_100010178973_100000210210 [0,1,0,0,0,0|2,1,0]=4 2157 B17R2.2023 CCCCSc1ccc2nccc(c2c1)C 62a_100000210211_100009817033 [0,1,0,0,0,0|1,1,0]=3 2158 B17R2.2023 CCCCSc1ccc2nccc(c2c1)C 62a_100009817033_100000210210 [0,1,0,0,0,0|1,1,0]=3 2159 B17R2.2023 CCCCSc1ccc2nccc(c2c1)Cl 62a_100000210211_100011310491 [0,1,0,0,0,0|1,1,0]=3 2160 B17R2.2023 CCCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210210 [0,1,0,0,0,0|1,1,0]=3 2161 B17R2.2023 CCCCSc1ccc2nccc(c2c1)N 62a_100000210211_100011620571 [0,1,0,0,0,0|1,1,0]=3 2162 B17R2.2023 CCCCSc1ccc2nccc(c2c1)N 62a_100011620571_100000210210 [0,1,0,0,0,0|1,1,0]=3 2163 B17R2.2023 CCCCSc1ccc2ncnc(c2c1)C 62a_100000210211_100000700471 [0,1,0,0,0,0|2,1,0]=4 2164 B17R2.2023 CCCCSc1ccc2ncnc(c2c1)C 62a_100000700471_100000210210 [0,1,0,0,0,0|2,1,0]=4 2165 B17R2.2023 CCCCSc1ccc2ncnc(c2c1)Cl 62a_100000210211_100000757566 [0,1,0,0,0,0|2,1,0]=4 2166 B17R2.2023 CCCCSc1ccc2ncnc(c2c1)N 62a_100000210211_100011390335 [0,1,0,0,0,0|2,1,0]=4 2167 B17R2.2023 CCCCSc1ccc2ncnc(c2c1)N 62a_100011390335_100000210210 [0,1,0,0,0,0|2,1,0]=4 2168 B17R2.2023 CCCCSc1ccc2nncc(c2c1)O 62a_100000210211_100010074700 [0,1,0,0,0,0|2,1,0]=4 2169 B17R2.2023 CCCCSc1ccc2occc(=O)c2c1 62a_100000210211_100009813387 [0,1,0,0,0,0|1,1,0]=3 2170 B17R2.2023 CCCCSc1cnc2cc[nH]c(=O)c2c1 62a_100000210211_100010134370 [0,1,0,0,0,0|2,1,0]=4 2171 B17R2.2023 CCCCSc1cnc2cccc(c2c1)N 62a_100000210211_100010264086 [0,1,0,0,0,0|1,1,0]=3 2172 B17R2.2023 CCCCSc1cnc2cccc(c2c1)N 62a_100010264086_100000210210 [0,1,0,0,0,0|1,1,0]=3 2173 B17R2.2023 CCCCSc1cnc2cccc(c2c1)O 62a_100000210211_200010153752 [0,1,0,0,0,0|1,1,0]=3 2174 B17R2.2023 CCCCSc1ncc2cccc(c2n1)O 62a_100000210211_100010674811 [0,1,0,0,0,0|2,1,0]=4 2175 B17R2.2023 CCCNCc1ccc2cccc(c2n1)Cl 207a_100020643023_200000068262 [0,1,0,0,0,0|3,0,0]=4 2176 B17R2.2023 CCCNCc1ccc2cccc(c2n1)Cl 270004a_100020643023_200000068262 [0,1,0,0,0,0|3,0,0]=4 2177 B17R2.2023 CCCNCc1ccc2cccc(c2n1)F 207a_100020643023_100000068176 [0,1,0,0,0,0|3,0,0]=4 2178 B17R2.2023 CCCNCc1ccc2cccc(c2n1)F 270004a_100020643023_100000068176 [0,1,0,0,0,0|3,0,0]=4 2179 B17R2.2023 CCCNCc1ccc2ccnc(c2c1)Cl 207a_100020643023_100000094387 [0,1,0,0,0,0|3,0,0]=4 2180 B17R2.2023 CCOC=Cc1ccc2cccc(c2c1)C 271570a_100016256518_100010089936 [0,1,0,0,0,0|2,0,1]=4 2181 B17R2.2023 CCOC=Cc1ccc2cccc(c2c1)N 271570a_100016256518_100010090012 [0,1,0,0,0,0|2,0,1]=4 2182 B17R2.2023 CCOC=Cc1ccc2cccc(c2c1)O 271570a_100016256518_100010089991 [0,1,0,0,0,0|2,0,1]=4 2183 B17R2.2023 CCOCSc1ccc2[nH]ccc(=O)c2c1 62a_100000739092_100000746092 [0,1,0,0,0,0|2,1,0]=4 2184 B17R2.2023 CCOCSc1ccc2cccc(c2c1)C 62a_100000739092_100010089936 [0,1,0,0,0,0|1,1,0]=3 2185 B17R2.2023 CCOCSc1ccc2cccc(c2c1)N 62a_100000739092_100010090012 [0,1,0,0,0,0|1,1,0]=3 2186 B17R2.2023 CCOCSc1ccc2cccc(c2c1)N 62a_100010090012_100000739092 [0,1,0,0,0,0|1,1,0]=3 2187 B17R2.2023 CCOCSc1ccc2cccc(c2c1)O 62a_100000739092_100010089991 [0,1,0,0,0,0|1,1,0]=3 2188 B17R2.2023 CCOCSc1ccc2cccc(c2n1)C 62a_100000739092_100012002297 [0,1,0,0,0,0|2,1,0]=4 2189 B17R2.2023 CCOCSc1ccc2cccc(c2n1)F 62a_100000739092_100012017632 [0,1,0,0,0,0|2,1,0]=4 2190 B17R2.2023 CCOCSc1ccc2cccc(c2n1)O 62a_100000739092_100000013812 [0,1,0,0,0,0|2,1,0]=4 2191 B17R2.2023 CCOCSc1ccc2ccnc(c2c1)C 62a_100000739092_200010739692 [0,1,0,0,0,0|2,1,0]=4 2192 B17R2.2023 CCOCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000739092 [0,1,0,0,0,0|2,1,0]=4 2193 B17R2.2023 CCOCSc1ccc2ccnc(c2c1)N 62a_100000739092_100012352255 [0,1,0,0,0,0|2,1,0]=4 2194 B17R2.2023 CCOCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000739092 [0,1,0,0,0,0|2,1,0]=4 2195 B17R2.2023 CCOCSc1ccc2ccnc(c2c1)O 62a_100000739092_100000010956 [0,1,0,0,0,0|2,1,0]=4 2196 B17R2.2023 CCOCSc1ccc2cncc(c2c1)O 62a_100000739092_100010136424 [0,1,0,0,0,0|2,1,0]=4 2197 B17R2.2023 CCOCSc1ccc2nccc(c2c1)C 62a_100000739092_100009817033 [0,1,0,0,0,0|2,1,0]=4 2198 B17R2.2023 CCOCSc1ccc2nccc(c2c1)C 62a_100009817033_100000739092 [0,1,0,0,0,0|2,1,0]=4 2199 B17R2.2023 CCOCSc1ccc2nccc(c2c1)Cl 62a_100000739092_100011310491 [0,1,0,0,0,0|2,1,0]=4 2200 B17R2.2023 CCOCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000739092 [0,1,0,0,0,0|2,1,0]=4 2201 B17R2.2023 CCOCSc1ccc2nccc(c2c1)N 62a_100000739092_100011620571 [0,1,0,0,0,0|2,1,0]=4 2202 B17R2.2023 CCOCSc1ccc2nccc(c2c1)N 62a_100011620571_100000739092 [0,1,0,0,0,0|2,1,0]=4 2203 B17R2.2023 CCOCSc1ccc2occc(=O)c2c1 62a_100000739092_100009813387 [0,1,0,0,0,0|2,1,0]=4 2204 B17R2.2023 CCOCSc1cnc2cccc(c2c1)N 62a_100000739092_100010264086 [0,1,0,0,0,0|2,1,0]=4 2205 B17R2.2023 CCOCSc1cnc2cccc(c2c1)N 62a_100010264086_100000739092 [0,1,0,0,0,0|2,1,0]=4 2206 B17R2.2023 CCOCSc1cnc2cccc(c2c1)O 62a_100000739092_200010153752 [0,1,0,0,0,0|2,1,0]=4 2207 B17R2.2023 COCC=Cc1ccc2cccc(c2c1)C 271570a_100016286323_100010089936 [0,1,0,0,0,0|2,0,1]=4 2208 B17R2.2023 COCC=Cc1ccc2cccc(c2c1)N 271570a_100016286323_100010090012 [0,1,0,0,0,0|2,0,1]=4 2209 B17R2.2023 COCC=Cc1ccc2cccc(c2c1)O 271570a_100016286323_100010089991 [0,1,0,0,0,0|2,0,1]=4 2210 B17R2.2023 COCCNc1ccc2cccc(c2c1)O 34a_100132313934_100011201679 [0,1,0,0,0,0|2,0,0]=3 2211 B17R2.2023 COCCNc1ccc2cccc(c2n1)C 27a_100000209980_100012002297 [0,1,0,0,0,0|3,0,0]=4 2212 B17R2.2023 COCCNc1ccc2cccc(c2n1)O 27a_100000209980_100010153751 [0,1,0,0,0,0|3,0,0]=4 2213 B17R2.2023 COCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100011201679 [0,1,0,0,0,0|3,0,0]=4 2214 B17R2.2023 COCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100011201679 [0,1,0,0,0,0|3,0,0]=4 2215 B17R2.2023 COCCNc1ccc2occc(=O)c2c1 34a_100000088200_100011201679 [0,1,0,0,0,0|3,0,0]=4 2216 B17R2.2023 COCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011201679 [0,1,0,0,0,0|1,0,0]=2 2217 B17R2.2023 COCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000233755 [0,1,0,0,0,0|1,0,0]=2 2218 B17R2.2023 COCCOc1ccc2cccc(c2c1)C 34a_200000091600_100011201679 [0,1,0,0,0,0|1,0,0]=2 2219 B17R2.2023 COCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000233755 [0,1,0,0,0,0|1,0,0]=2 2220 B17R2.2023 COCCOc1ccc2cccc(c2c1)F 34a_100000091619_100011201679 [0,1,0,0,0,0|1,0,0]=2 2221 B17R2.2023 COCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000233755 [0,1,0,0,0,0|1,0,0]=2 2222 B17R2.2023 COCCOc1ccc2cccc(c2c1)N 34a_100000034012_100011201679 [0,1,0,0,0,0|1,0,0]=2 2223 B17R2.2023 COCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000233755 [0,1,0,0,0,0|1,0,0]=2 2224 B17R2.2023 COCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011201679 [0,1,0,0,0,0|2,0,0]=3 2225 B17R2.2023 COCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000233755 [0,1,0,0,0,0|2,0,0]=3 2226 B17R2.2023 COCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000233755 [0,1,0,0,0,0|3,0,0]=4 2227 B17R2.2023 COCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100011201679 [0,1,0,0,0,0|2,0,0]=3 2228 B17R2.2023 COCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000233755 [0,1,0,0,0,0|2,0,0]=3 2229 B17R2.2023 COCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100011201679 [0,1,0,0,0,0|2,0,0]=3 2230 B17R2.2023 COCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000233755 [0,1,0,0,0,0|2,0,0]=3 2231 B17R2.2023 COCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000233755_100000746092 [0,1,0,0,0,0|2,1,0]=4 2232 B17R2.2023 COCCSc1ccc2cccc(c2c1)C 62a_100000233755_100010089936 [0,1,0,0,0,0|1,1,0]=3 2233 B17R2.2023 COCCSc1ccc2cccc(c2c1)N 62a_100000233755_100010090012 [0,1,0,0,0,0|1,1,0]=3 2234 B17R2.2023 COCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000233755 [0,1,0,0,0,0|1,1,0]=3 2235 B17R2.2023 COCCSc1ccc2cccc(c2c1)O 62a_100000233755_100010089991 [0,1,0,0,0,0|1,1,0]=3 2236 B17R2.2023 COCCSc1ccc2cccc(c2n1)C 62a_100000233755_100012002297 [0,1,0,0,0,0|2,1,0]=4 2237 B17R2.2023 COCCSc1ccc2cccc(c2n1)F 62a_100000233755_100012017632 [0,1,0,0,0,0|2,1,0]=4 2238 B17R2.2023 COCCSc1ccc2cccc(c2n1)O 62a_100000233755_100000013812 [0,1,0,0,0,0|2,1,0]=4 2239 B17R2.2023 COCCSc1ccc2ccnc(c2c1)C 62a_100000233755_200010739692 [0,1,0,0,0,0|2,1,0]=4 2240 B17R2.2023 COCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000233755 [0,1,0,0,0,0|2,1,0]=4 2241 B17R2.2023 COCCSc1ccc2ccnc(c2c1)N 62a_100000233755_100012352255 [0,1,0,0,0,0|2,1,0]=4 2242 B17R2.2023 COCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000233755 [0,1,0,0,0,0|2,1,0]=4 2243 B17R2.2023 COCCSc1ccc2ccnc(c2c1)O 62a_100000233755_100000010956 [0,1,0,0,0,0|2,1,0]=4 2244 B17R2.2023 COCCSc1ccc2cncc(c2c1)O 62a_100000233755_100010136424 [0,1,0,0,0,0|2,1,0]=4 2245 B17R2.2023 COCCSc1ccc2nccc(c2c1)C 62a_100000233755_100009817033 [0,1,0,0,0,0|2,1,0]=4 2246 B17R2.2023 COCCSc1ccc2nccc(c2c1)C 62a_100009817033_100000233755 [0,1,0,0,0,0|2,1,0]=4 2247 B17R2.2023 COCCSc1ccc2nccc(c2c1)Cl 62a_100000233755_100011310491 [0,1,0,0,0,0|2,1,0]=4 2248 B17R2.2023 COCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000233755 [0,1,0,0,0,0|2,1,0]=4 2249 B17R2.2023 COCCSc1ccc2nccc(c2c1)N 62a_100000233755_100011620571 [0,1,0,0,0,0|2,1,0]=4 2250 B17R2.2023 COCCSc1ccc2nccc(c2c1)N 62a_100011620571_100000233755 [0,1,0,0,0,0|2,1,0]=4 2251 B17R2.2023 COCCSc1ccc2occc(=O)c2c1 62a_100000233755_100009813387 [0,1,0,0,0,0|2,1,0]=4 2252 B17R2.2023 COCCSc1cnc2cccc(c2c1)N 62a_100000233755_100010264086 [0,1,0,0,0,0|2,1,0]=4 2253 B17R2.2023 COCCSc1cnc2cccc(c2c1)N 62a_100010264086_100000233755 [0,1,0,0,0,0|2,1,0]=4 2254 B17R2.2023 COCCSc1cnc2cccc(c2c1)O 62a_100000233755_200010153752 [0,1,0,0,0,0|2,1,0]=4 2255 B17R2.2023 CSCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000212216 [0,1,0,0,0,0|2,0,0]=3 2256 B17R2.2023 CSCCNc1ccc2cccc(c2n1)C 27a_100020590264_100012002297 [0,1,0,0,0,0|3,0,0]=4 2257 B17R2.2023 CSCCNc1ccc2cccc(c2n1)O 27a_100020590264_100010153751 [0,1,0,0,0,0|3,0,0]=4 2258 B17R2.2023 CSCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000212216 [0,1,0,0,0,0|3,0,0]=4 2259 B17R2.2023 CSCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000212216 [0,1,0,0,0,0|3,0,0]=4 2260 B17R2.2023 CSCCNc1ccc2occc(=O)c2c1 34a_100000088200_100000212216 [0,1,0,0,0,0|3,0,0]=4 2261 B17R2.2023 CSCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000212216 [0,1,0,0,0,0|1,0,0]=2 2262 B17R2.2023 CSCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000212216 [0,1,0,0,0,0|1,0,0]=2 2263 B17R2.2023 CSCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000212216 [0,1,0,0,0,0|1,0,0]=2 2264 B17R2.2023 CSCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000212216 [0,1,0,0,0,0|1,0,0]=2 2265 B17R2.2023 CSCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000212216 [0,1,0,0,0,0|1,0,0]=2 2266 B17R2.2023 CSCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000212216 [0,1,0,0,0,0|1,0,0]=2 2267 B17R2.2023 CSCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000212216 [0,1,0,0,0,0|1,0,0]=2 2268 B17R2.2023 CSCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000212216 [0,1,0,0,0,0|1,0,0]=2 2269 B17R2.2023 CSCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000212216 [0,1,0,0,0,0|2,0,0]=3 2270 B17R2.2023 CSCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000212216 [0,1,0,0,0,0|2,0,0]=3 2271 B17R2.2023 CSCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000212216 [0,1,0,0,0,0|3,0,0]=4 2272 B17R2.2023 CSCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000212216 [0,1,0,0,0,0|2,0,0]=3 2273 B17R2.2023 CSCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000212216 [0,1,0,0,0,0|2,0,0]=3 2274 B17R2.2023 CSCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000212216 [0,1,0,0,0,0|2,0,0]=3 2275 B17R2.2023 CSCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000212216 [0,1,0,0,0,0|2,0,0]=3 2276 B17R2.2023 CSCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000212216_100000746092 [0,1,0,0,0,0|2,1,0]=4 2277 B17R2.2023 CSCCSc1ccc2cccc(c2c1)C 62a_100000212216_100010089936 [0,1,0,0,0,0|1,1,0]=3 2278 B17R2.2023 CSCCSc1ccc2cccc(c2c1)N 62a_100000212216_100010090012 [0,1,0,0,0,0|1,1,0]=3 2279 B17R2.2023 CSCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000751147 [0,1,0,0,0,0|1,1,0]=3 2280 B17R2.2023 CSCCSc1ccc2cccc(c2c1)O 62a_100000212216_100010089991 [0,1,0,0,0,0|1,1,0]=3 2281 B17R2.2023 CSCCSc1ccc2cccc(c2n1)C 62a_100000212216_100012002297 [0,1,0,0,0,0|2,1,0]=4 2282 B17R2.2023 CSCCSc1ccc2cccc(c2n1)F 62a_100000212216_100012017632 [0,1,0,0,0,0|2,1,0]=4 2283 B17R2.2023 CSCCSc1ccc2cccc(c2n1)O 62a_100000212216_100000013812 [0,1,0,0,0,0|2,1,0]=4 2284 B17R2.2023 CSCCSc1ccc2ccnc(c2c1)C 62a_100000212216_200010739692 [0,1,0,0,0,0|2,1,0]=4 2285 B17R2.2023 CSCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000751147 [0,1,0,0,0,0|2,1,0]=4 2286 B17R2.2023 CSCCSc1ccc2ccnc(c2c1)N 62a_100000212216_100012352255 [0,1,0,0,0,0|2,1,0]=4 2287 B17R2.2023 CSCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000751147 [0,1,0,0,0,0|2,1,0]=4 2288 B17R2.2023 CSCCSc1ccc2ccnc(c2c1)O 62a_100000212216_100000010956 [0,1,0,0,0,0|2,1,0]=4 2289 B17R2.2023 CSCCSc1ccc2cncc(c2c1)O 62a_100000212216_100010136424 [0,1,0,0,0,0|2,1,0]=4 2290 B17R2.2023 CSCCSc1ccc2nccc(c2c1)C 62a_100000212216_100009817033 [0,1,0,0,0,0|2,1,0]=4 2291 B17R2.2023 CSCCSc1ccc2nccc(c2c1)C 62a_100009817033_100000751147 [0,1,0,0,0,0|2,1,0]=4 2292 B17R2.2023 CSCCSc1ccc2nccc(c2c1)Cl 62a_100000212216_100011310491 [0,1,0,0,0,0|2,1,0]=4 2293 B17R2.2023 CSCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000751147 [0,1,0,0,0,0|2,1,0]=4 2294 B17R2.2023 CSCCSc1ccc2nccc(c2c1)N 62a_100000212216_100011620571 [0,1,0,0,0,0|2,1,0]=4 2295 B17R2.2023 CSCCSc1ccc2nccc(c2c1)N 62a_100011620571_100000751147 [0,1,0,0,0,0|2,1,0]=4 2296 B17R2.2023 CSCCSc1ccc2occc(=O)c2c1 62a_100000212216_100009813387 [0,1,0,0,0,0|2,1,0]=4 2297 B17R2.2023 CSCCSc1cnc2cccc(c2c1)N 62a_100000212216_100010264086 [0,1,0,0,0,0|2,1,0]=4 2298 B17R2.2023 CSCCSc1cnc2cccc(c2c1)N 62a_100010264086_100000751147 [0,1,0,0,0,0|2,1,0]=4 2299 B17R2.2023 CSCCSc1cnc2cccc(c2c1)O 62a_100000212216_200010153752 [0,1,0,0,0,0|2,1,0]=4 2300 B17R2.2023 Cc1cccc2c1cc(cc2)OCCC#N 7a_200000091600_100000184422 [0,1,0,0,0,0|1,0,1]=3 2301 B17R2.2023 Cc1cccc2c1cc(cc2)OCCCF 34a_200000091600_100011934791 [0,1,0,0,0,0|1,0,0]=2 2302 B17R2.2023 Cc1cccc2c1cc(cc2)OCCCF 7a_200000091600_100011934791 [0,1,0,0,0,0|1,0,0]=2 2303 B17R2.2023 Cc1cccc2c1cc(cc2)OCCCO 34a_200000091600_100000230001 [0,1,0,0,0,0|1,0,0]=2 2304 B17R2.2023 Cc1cccc2c1cc(cc2)OCCCO 7a_200000091600_100011215043 [0,1,0,0,0,0|1,0,0]=2 2305 B17R2.2023 Cc1cccc2c1cc(cc2)SCCC#N 62a_100011215226_100010089936 [0,1,0,0,0,0|1,1,1]=4 2306 B17R2.2023 Cc1cccc2c1cc(cc2)SCCCF 62a_100011934791_100010089936 [0,1,0,0,0,0|1,1,0]=3 2307 B17R2.2023 Cc1cccc2c1cc(cc2)SCCCO 62a_100011215043_100010089936 [0,1,0,0,0,0|1,1,0]=3 2308 B17R2.2023 Cc1cccc2c1nc(cc2)NCCCF 27a_100015189416_100012002297 [0,1,0,0,0,0|3,0,0]=4 2309 B17R2.2023 Cc1cccc2c1nc(cc2)NCCCO 27a_100000182051_100012002297 [0,1,0,0,0,0|3,0,0]=4 2310 B17R2.2023 Cc1cccc2c1nc(cc2)SCCCF 62a_100011934791_100012002297 [0,1,0,0,0,0|2,1,0]=4 2311 B17R2.2023 Cc1cccc2c1nc(cc2)SCCCO 62a_100011215043_100012002297 [0,1,0,0,0,0|2,1,0]=4 2312 B17R2.2023 Cc1ccnc2c1cc(cc2)SCCCF 62a_100009817033_100011934791 [0,1,0,0,0,0|2,1,0]=4 2313 B17R2.2023 Cc1ccnc2c1cc(cc2)SCCCF 62a_100011934791_100009817033 [0,1,0,0,0,0|2,1,0]=4 2314 B17R2.2023 Cc1ccnc2c1cc(cc2)SCCCO 62a_100009817033_100011215043 [0,1,0,0,0,0|2,1,0]=4 2315 B17R2.2023 Cc1ccnc2c1cc(cc2)SCCCO 62a_100011215043_100009817033 [0,1,0,0,0,0|2,1,0]=4 2316 B17R2.2023 Cc1nccc2c1cc(cc2)SCCCF 62a_100011934791_200010739692 [0,1,0,0,0,0|2,1,0]=4 2317 B17R2.2023 Cc1nccc2c1cc(cc2)SCCCF 62a_200010739692_100011934791 [0,1,0,0,0,0|2,1,0]=4 2318 B17R2.2023 Cc1nccc2c1cc(cc2)SCCCO 62a_100011215043_200010739692 [0,1,0,0,0,0|2,1,0]=4 2319 B17R2.2023 Cc1nccc2c1cc(cc2)SCCCO 62a_200010739692_100011215043 [0,1,0,0,0,0|2,1,0]=4 2320 B17R2.2023 FCCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100011934791 [0,1,0,0,0,0|3,0,0]=4 2321 B17R2.2023 FCCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100011934791 [0,1,0,0,0,0|3,0,0]=4 2322 B17R2.2023 FCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011934791 [0,1,0,0,0,0|1,0,0]=2 2323 B17R2.2023 FCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011934791 [0,1,0,0,0,0|1,0,0]=2 2324 B17R2.2023 FCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100011934791 [0,1,0,0,0,0|1,0,0]=2 2325 B17R2.2023 FCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100011934791 [0,1,0,0,0,0|1,0,0]=2 2326 B17R2.2023 FCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011934791 [0,1,0,0,0,0|2,0,0]=3 2327 B17R2.2023 FCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011934791 [0,1,0,0,0,0|2,0,0]=3 2328 B17R2.2023 FCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100011934791 [0,1,0,0,0,0|2,0,0]=3 2329 B17R2.2023 FCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100011934791 [0,1,0,0,0,0|2,0,0]=3 2330 B17R2.2023 FCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100011934791 [0,1,0,0,0,0|2,0,0]=3 2331 B17R2.2023 FCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100011934791 [0,1,0,0,0,0|2,0,0]=3 2332 B17R2.2023 FCCCSc1ccc2cccc(c2n1)F 62a_100011934791_100012017632 [0,1,0,0,0,0|2,1,0]=4 2333 B17R2.2023 FCCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100011934791 [0,1,0,0,0,0|2,1,0]=4 2334 B17R2.2023 FCCCSc1ccc2nccc(c2c1)Cl 62a_100011934791_100011310491 [0,1,0,0,0,0|2,1,0]=4 2335 B17R2.2023 N#CCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000184422 [0,1,0,0,0,0|1,0,1]=3 2336 B17R2.2023 N#CCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000184422 [0,1,0,0,0,0|1,0,1]=3 2337 B17R2.2023 N#CCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000184422 [0,1,0,0,0,0|1,0,1]=3 2338 B17R2.2023 N#CCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000184422 [0,1,0,0,0,0|2,0,1]=4 2339 B17R2.2023 N#CCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000184422 [0,1,0,0,0,0|2,0,1]=4 2340 B17R2.2023 N#CCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000184422 [0,1,0,0,0,0|2,0,1]=4 2341 B17R2.2023 N#CCCSc1ccc2cccc(c2c1)N 62a_100010090012_100011215226 [0,1,0,0,0,0|1,1,1]=4 2342 B17R2.2023 N#CCCSc1ccc2cccc(c2c1)N 62a_100011215226_100010090012 [0,1,0,0,0,0|1,1,1]=4 2343 B17R2.2023 N#CCCSc1ccc2cccc(c2c1)O 62a_100011215226_100010089991 [0,1,0,0,0,0|1,1,1]=4 2344 B17R2.2023 Nc1cccc2c1cc(cc2)OCCCF 34a_100000034012_100011934791 [0,1,0,0,0,0|1,0,0]=2 2345 B17R2.2023 Nc1cccc2c1cc(cc2)OCCCF 7a_100000034012_100011934791 [0,1,0,0,0,0|1,0,0]=2 2346 B17R2.2023 Nc1cccc2c1cc(cc2)OCCCO 34a_100000034012_100000230001 [0,1,0,0,0,0|1,0,0]=2 2347 B17R2.2023 Nc1cccc2c1cc(cc2)OCCCO 7a_100000034012_100011215043 [0,1,0,0,0,0|1,0,0]=2 2348 B17R2.2023 Nc1cccc2c1cc(cc2)SCCCF 62a_100010090012_100011934791 [0,1,0,0,0,0|1,1,0]=3 2349 B17R2.2023 Nc1cccc2c1cc(cc2)SCCCF 62a_100011934791_100010090012 [0,1,0,0,0,0|1,1,0]=3 2350 B17R2.2023 Nc1cccc2c1cc(cc2)SCCCO 62a_100010090012_100011215043 [0,1,0,0,0,0|1,1,0]=3 2351 B17R2.2023 Nc1cccc2c1cc(cc2)SCCCO 62a_100011215043_100010090012 [0,1,0,0,0,0|1,1,0]=3 2352 B17R2.2023 Nc1cccc2c1cc(cn2)SCCCF 62a_100010264086_100011934791 [0,1,0,0,0,0|2,1,0]=4 2353 B17R2.2023 Nc1cccc2c1cc(cn2)SCCCF 62a_100011934791_100010264086 [0,1,0,0,0,0|2,1,0]=4 2354 B17R2.2023 Nc1cccc2c1cc(cn2)SCCCO 62a_100010264086_100011215043 [0,1,0,0,0,0|2,1,0]=4 2355 B17R2.2023 Nc1cccc2c1cc(cn2)SCCCO 62a_100011215043_100010264086 [0,1,0,0,0,0|2,1,0]=4 2356 B17R2.2023 Nc1ccnc2c1cc(cc2)SCCCF 62a_100011620571_100011934791 [0,1,0,0,0,0|2,1,0]=4 2357 B17R2.2023 Nc1ccnc2c1cc(cc2)SCCCF 62a_100011934791_100011620571 [0,1,0,0,0,0|2,1,0]=4 2358 B17R2.2023 Nc1ccnc2c1cc(cc2)SCCCO 62a_100011215043_100011620571 [0,1,0,0,0,0|2,1,0]=4 2359 B17R2.2023 Nc1ccnc2c1cc(cc2)SCCCO 62a_100011620571_100011215043 [0,1,0,0,0,0|2,1,0]=4 2360 B17R2.2023 Nc1nccc2c1cc(cc2)SCCCF 62a_100011934791_100012352255 [0,1,0,0,0,0|2,1,0]=4 2361 B17R2.2023 Nc1nccc2c1cc(cc2)SCCCF 62a_100012352255_100011934791 [0,1,0,0,0,0|2,1,0]=4 2362 B17R2.2023 Nc1nccc2c1cc(cc2)SCCCO 62a_100011215043_100012352255 [0,1,0,0,0,0|2,1,0]=4 2363 B17R2.2023 Nc1nccc2c1cc(cc2)SCCCO 62a_100012352255_100011215043 [0,1,0,0,0,0|2,1,0]=4 2364 B17R2.2023 O=c1[nH]cnc2c1cc(cc2)OCCCF 7a_100011934087_100011934791 [0,1,0,0,0,0|3,0,0]=4 2365 B17R2.2023 O=c1[nH]cnc2c1cc(cc2)OCCCO 7a_100011934087_100011215043 [0,1,0,0,0,0|3,0,0]=4 2366 B17R2.2023 O=c1cc[nH]c2c1cc(cc2)SCCCF 62a_100011934791_100000746092 [0,1,0,0,0,0|2,1,0]=4 2367 B17R2.2023 O=c1cc[nH]c2c1cc(cc2)SCCCO 62a_100011215043_100000746092 [0,1,0,0,0,0|2,1,0]=4 2368 B17R2.2023 O=c1ccoc2c1cc(cc2)NCCCF 34a_100000088200_100011934791 [0,1,0,0,0,0|3,0,0]=4 2369 B17R2.2023 O=c1ccoc2c1cc(cc2)NCCCO 34a_100000088200_100000230001 [0,1,0,0,0,0|3,0,0]=4 2370 B17R2.2023 O=c1ccoc2c1cc(cc2)SCCCF 62a_100011934791_100009813387 [0,1,0,0,0,0|2,1,0]=4 2371 B17R2.2023 O=c1ccoc2c1cc(cc2)SCCCO 62a_100011215043_100009813387 [0,1,0,0,0,0|2,1,0]=4 2372 B17R2.2023 OCCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000230001 [0,1,0,0,0,0|2,0,0]=3 2373 B17R2.2023 OCCCNc1ccc2cccc(c2n1)O 27a_100000182051_100010153751 [0,1,0,0,0,0|3,0,0]=4 2374 B17R2.2023 OCCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000230001 [0,1,0,0,0,0|3,0,0]=4 2375 B17R2.2023 OCCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000230001 [0,1,0,0,0,0|3,0,0]=4 2376 B17R2.2023 OCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000230001 [0,1,0,0,0,0|1,0,0]=2 2377 B17R2.2023 OCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011215043 [0,1,0,0,0,0|1,0,0]=2 2378 B17R2.2023 OCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000230001 [0,1,0,0,0,0|1,0,0]=2 2379 B17R2.2023 OCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100011215043 [0,1,0,0,0,0|1,0,0]=2 2380 B17R2.2023 OCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000230001 [0,1,0,0,0,0|2,0,0]=3 2381 B17R2.2023 OCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011215043 [0,1,0,0,0,0|2,0,0]=3 2382 B17R2.2023 OCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000230001 [0,1,0,0,0,0|2,0,0]=3 2383 B17R2.2023 OCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100011215043 [0,1,0,0,0,0|2,0,0]=3 2384 B17R2.2023 OCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000230001 [0,1,0,0,0,0|2,0,0]=3 2385 B17R2.2023 OCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100011215043 [0,1,0,0,0,0|2,0,0]=3 2386 B17R2.2023 OCCCSc1ccc2cccc(c2c1)O 62a_100011215043_100010089991 [0,1,0,0,0,0|1,1,0]=3 2387 B17R2.2023 OCCCSc1ccc2cccc(c2n1)F 62a_100011215043_100012017632 [0,1,0,0,0,0|2,1,0]=4 2388 B17R2.2023 OCCCSc1ccc2cccc(c2n1)O 62a_100011215043_100000013812 [0,1,0,0,0,0|2,1,0]=4 2389 B17R2.2023 OCCCSc1ccc2ccnc(c2c1)O 62a_100011215043_100000010956 [0,1,0,0,0,0|2,1,0]=4 2390 B17R2.2023 OCCCSc1ccc2cncc(c2c1)O 62a_100011215043_100010136424 [0,1,0,0,0,0|2,1,0]=4 2391 B17R2.2023 OCCCSc1ccc2nccc(c2c1)Cl 62a_100011215043_100011310491 [0,1,0,0,0,0|2,1,0]=4 2392 B17R2.2023 OCCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100011215043 [0,1,0,0,0,0|2,1,0]=4 2393 B17R2.2023 OCCCSc1cnc2cccc(c2c1)O 62a_100011215043_200010153752 [0,1,0,0,0,0|2,1,0]=4 2394 B17R2.2023 Oc1cccc2c1cc(cc2)NCCCF 34a_100132313934_100011934791 [0,1,0,0,0,0|2,0,0]=3 2395 B17R2.2023 Oc1cccc2c1cc(cc2)SCCCF 62a_100011934791_100010089991 [0,1,0,0,0,0|1,1,0]=3 2396 B17R2.2023 Oc1cccc2c1cc(cn2)SCCCF 62a_100011934791_200010153752 [0,1,0,0,0,0|2,1,0]=4 2397 B17R2.2023 Oc1cccc2c1nc(cc2)NCCCF 27a_100015189416_100010153751 [0,1,0,0,0,0|3,0,0]=4 2398 B17R2.2023 Oc1cccc2c1nc(cc2)SCCCF 62a_100011934791_100000013812 [0,1,0,0,0,0|2,1,0]=4 2399 B17R2.2023 Oc1cncc2c1cc(cc2)SCCCF 62a_100011934791_100010136424 [0,1,0,0,0,0|2,1,0]=4 2400 B17R2.2023 Oc1nccc2c1cc(cc2)SCCCF 62a_100011934791_100000010956 [0,1,0,0,0,0|2,1,0]=4 2401 B17R2.2104 C#CCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000753159 [0,1,0,0,0,0|1,0,2]=4 2402 B17R2.2104 C#CCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000688953 [0,1,0,0,0,0|1,0,2]=4 2403 B17R2.2104 C#CCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000730999 [0,1,0,0,0,0|1,0,2]=4 2404 B17R2.2104 C#CCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000688953 [0,1,0,0,0,0|1,0,2]=4 2405 B17R2.2104 C/C=C/CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100102629194 [0,1,0,0,0,0|1,0,2]=4 2406 B17R2.2104 C/C=C/CN(C)c1ccc2ccccc2c1 269982a_100000181211_100102629194 [0,1,0,0,0,0|1,0,2]=4 2407 B17R2.2104 C/C=C/CN(C)c1ccc2ccccc2c1 34a_100000181211_100102629194 [0,1,0,0,0,0|1,0,2]=4 2408 B17R2.2104 C=CCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000754431 [0,1,0,0,0,0|1,0,2]=4 2409 B17R2.2104 C=CCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000754431 [0,1,0,0,0,0|1,0,2]=4 2410 B17R2.2104 C=CCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000754431 [0,1,0,0,0,0|1,0,2]=4 2411 B17R2.2104 C=CCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000754431 [0,1,0,0,0,0|1,0,2]=4 2412 B17R2.2104 CC#CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000748600 [0,1,0,0,0,0|1,0,2]=4 2413 B17R2.2104 CC#CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000748600 [0,1,0,0,0,0|1,0,2]=4 2414 B17R2.2104 CC#CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000748600 [0,1,0,0,0,0|1,0,2]=4 2415 B17R2.2104 CC(NCCF)c1ccc2ccccc2c1 2230a_100000737073_100011217306 [0,1,0,0,0,0|3,0,0]=4 2416 B17R2.2104 CC(NCCF)c1ccc2ccccc2c1 269862a_100000724931_100000210793 [0,1,0,0,0,0|3,0,0]=4 2417 B17R2.2104 CC(NCCO)c1ccc2ccccc2c1 2230a_100000737073_100000211926 [0,1,0,0,0,0|3,0,0]=4 2418 B17R2.2104 CC(NCCO)c1ccc2ccccc2c1 269862a_100000210304_100000210793 [0,1,0,0,0,0|3,0,0]=4 2419 B17R2.2104 CC(OCCF)c1ccc2ccccc2c1 34a_100011215343_100011217306 [0,1,0,0,0,0|3,0,0]=4 2420 B17R2.2104 CC(OCCF)c1ccc2ccccc2c1 7a_100011215343_100011217306 [0,1,0,0,0,0|3,0,0]=4 2421 B17R2.2104 CC(OCCO)c1ccc2ccccc2c1 34a_100011215343_100000211926 [0,1,0,0,0,0|3,0,0]=4 2422 B17R2.2104 CC(OCCO)c1ccc2ccccc2c1 7a_100011215343_100000211926 [0,1,0,0,0,0|3,0,0]=4 2423 B17R2.2104 CC=CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000070051 [0,1,0,0,0,0|1,0,2]=4 2424 B17R2.2104 CC=CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000070051 [0,1,0,0,0,0|1,0,2]=4 2425 B17R2.2104 CC=CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000070051 [0,1,0,0,0,0|1,0,2]=4 2426 B17R2.2104 CCCCC(=O)C1=Cc2ccccc2OC1 1458a_100000018039_100000210211 [0,1,0,0,0,0|2,0,1]=4 2427 B17R2.2104 CCCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210211 [0,1,0,0,0,0|1,0,0]=2 2428 B17R2.2104 CCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210211 [0,1,0,0,0,0|2,0,0]=3 2429 B17R2.2104 CCCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210211 [0,1,0,0,0,0|2,0,0]=3 2430 B17R2.2104 CCCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210211 [0,1,0,0,0,0|2,0,0]=3 2431 B17R2.2104 CCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210211 [0,1,0,0,0,0|2,0,0]=3 2432 B17R2.2104 CCCCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000210211 [0,1,0,0,0,0|3,0,0]=4 2433 B17R2.2104 CCCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210211 [0,1,0,0,0,0|1,0,0]=2 2434 B17R2.2104 CCCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210211 [0,1,0,0,0,0|1,0,0]=2 2435 B17R2.2104 CCCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210210 [0,1,0,0,0,0|1,0,0]=2 2436 B17R2.2104 CCCCN(C)c1ccc2ccccc2n1 27a_100000207549_100011291633 [0,1,0,0,0,0|2,0,0]=3 2437 B17R2.2104 CCCCN(C)c1ccc2cccnc2n1 27a_100000207549_100000075685 [0,1,0,0,0,0|3,0,0]=4 2438 B17R2.2104 CCCCN(C)c1ccc2ccncc2n1 27a_100000207549_100000020162 [0,1,0,0,0,0|3,0,0]=4 2439 B17R2.2104 CCCCN(C)c1ccc2cncnc2c1 27a_100000207549_100010185614 [0,1,0,0,0,0|3,0,0]=4 2440 B17R2.2104 CCCCN(C)c1ccc2ncccc2n1 27a_100000207549_100000073381 [0,1,0,0,0,0|3,0,0]=4 2441 B17R2.2104 CCCCN(C)c1ccc2nccnc2c1 27a_100000207549_100011219451 [0,1,0,0,0,0|3,0,0]=4 2442 B17R2.2104 CCCCN(C)c1cnc2ccccc2n1 27a_100000207549_100000756483 [0,1,0,0,0,0|3,0,0]=4 2443 B17R2.2104 CCCCN(C)c1ncc2ccccc2n1 27a_100000207549_100000097389 [0,1,0,0,0,0|3,0,0]=4 2444 B17R2.2104 CCCNC(=O)c1ccc2ccccc2c1 11a_100020643023_100000210637 [0,1,0,0,0,0|2,0,0]=3 2445 B17R2.2104 CCCNC(=O)c1ccc2ccccc2c1 1626a_100020643023_100000210637 [0,1,0,0,0,0|2,0,0]=3 2446 B17R2.2104 CCCNC(=O)c1ccc2ccccc2c1 240690a_100020643023_100000210637 [0,1,0,0,0,0|2,0,0]=3 2447 B17R2.2104 CCCNC(=O)c1ccc2ccccc2c1 527a_100020643023_100000210637 [0,1,0,0,0,0|2,0,0]=3 2448 B17R2.2104 CCCNC(=O)c1ccc2cccnc2c1 11a_100020643023_100011933907 [0,1,0,0,0,0|3,0,0]=4 2449 B17R2.2104 CCCNC(=O)c1ccc2cccnc2c1 1626a_100020643023_100011933907 [0,1,0,0,0,0|3,0,0]=4 2450 B17R2.2104 CCCNC(=O)c1ccc2cccnc2c1 240690a_100020643023_100011933907 [0,1,0,0,0,0|3,0,0]=4 2451 B17R2.2104 CCCNC(=O)c1ccc2cccnc2c1 527a_100020643023_100011933907 [0,1,0,0,0,0|3,0,0]=4 2452 B17R2.2104 CCCNC(=O)c1ccc2ccncc2c1 11a_100020643023_100000070124 [0,1,0,0,0,0|3,0,0]=4 2453 B17R2.2104 CCCNC(=O)c1ccc2ccncc2c1 1626a_100020643023_100000070124 [0,1,0,0,0,0|3,0,0]=4 2454 B17R2.2104 CCCNC(=O)c1ccc2ccncc2c1 240690a_100020643023_100000070124 [0,1,0,0,0,0|3,0,0]=4 2455 B17R2.2104 CCCNC(=O)c1ccc2ccncc2c1 527a_100020643023_100000070124 [0,1,0,0,0,0|3,0,0]=4 2456 B17R2.2104 CCCNC(=O)c1ccc2cnccc2c1 11a_100020643023_100011935275 [0,1,0,0,0,0|3,0,0]=4 2457 B17R2.2104 CCCNC(=O)c1ccc2cnccc2c1 1626a_100020643023_100011935275 [0,1,0,0,0,0|3,0,0]=4 2458 B17R2.2104 CCCNC(=O)c1ccc2cnccc2c1 240690a_100020643023_100011935275 [0,1,0,0,0,0|3,0,0]=4 2459 B17R2.2104 CCCNC(=O)c1ccc2cnccc2c1 527a_100020643023_100011935275 [0,1,0,0,0,0|3,0,0]=4 2460 B17R2.2104 CCCNC(=O)c1ccc2ncccc2c1 11a_100020643023_100011216044 [0,1,0,0,0,0|3,0,0]=4 2461 B17R2.2104 CCCNC(=O)c1ccc2ncccc2c1 1626a_100020643023_100011216044 [0,1,0,0,0,0|3,0,0]=4 2462 B17R2.2104 CCCNC(=O)c1ccc2ncccc2c1 240690a_100020643023_100011216044 [0,1,0,0,0,0|3,0,0]=4 2463 B17R2.2104 CCCNC(=O)c1ccc2ncccc2c1 527a_100020643023_100011216044 [0,1,0,0,0,0|3,0,0]=4 2464 B17R2.2104 CCCNC(C)c1cc2ccccc2cn1 269862a_100020643023_200000084103 [0,1,0,0,0,0|3,0,0]=4 2465 B17R2.2104 CCCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210303 [0,1,0,0,0,0|2,0,0]=3 2466 B17R2.2104 CCCNC(C)c1ccc2ccccc2c1 269862a_100020643023_100000210793 [0,1,0,0,0,0|2,0,0]=3 2467 B17R2.2104 CCCNC(C)c1ccc2ccccc2n1 269862a_100020643023_100000684817 [0,1,0,0,0,0|3,0,0]=4 2468 B17R2.2104 CCCNC(C)c1ccc2ncccc2c1 269862a_100020643023_100011286481 [0,1,0,0,0,0|3,0,0]=4 2469 B17R2.2104 CCCNC(C)c1cnc2ccccc2c1 269862a_100020643023_100011376191 [0,1,0,0,0,0|3,0,0]=4 2470 B17R2.2104 CCCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000210303 [0,1,0,0,0,0|2,0,0]=3 2471 B17R2.2104 CCCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000210303 [0,1,0,0,0,0|2,0,0]=3 2472 B17R2.2104 CCNCC(=O)c1ccc2ccccc2c1 2230a_100015525214_100000211431 [0,1,0,0,0,0|2,0,0]=3 2473 B17R2.2104 CCNCC(O)c1ccc2ccccc2c1 2230a_100000754022_100000210202 [0,1,0,0,0,0|2,0,0]=3 2474 B17R2.2104 CCNCC(O)c1ccc2ccccc2c1 34a_100000754022_100000210202 [0,1,0,0,0,0|2,0,0]=3 2475 B17R2.2104 CCNN=C(C)c1ccc2ccccc2c1 4a_100000756455_100000210793 [0,1,0,0,0,0|3,0,0]=4 2476 B17R2.2104 CCNNC(=O)c1ccc2ccccc2c1 22a_100000756455_100000210637 [0,1,0,0,0,0|3,0,0]=4 2477 B17R2.2104 CCOCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000739092 [0,1,0,0,0,0|2,0,0]=3 2478 B17R2.2104 CCSCC(=O)c1ccc2ccccc2c1 62a_100000210202_100000211431 [0,1,0,0,0,0|2,0,0]=3 2479 B17R2.2104 CCSCC(=O)c1ccc2ccccc2c1 62a_100000211431_100000210202 [0,1,0,0,0,0|2,0,0]=3 2480 B17R2.2104 CN(CCC#N)c1ccc2ccccc2c1 2230a_100000181211_100011215226 [0,1,0,0,0,0|2,0,1]=4 2481 B17R2.2104 CN(CCC#N)c1ccc2ccccc2c1 269982a_100000181211_100011215226 [0,1,0,0,0,0|2,0,1]=4 2482 B17R2.2104 CN(CCCF)c1ccc2ccccc2c1 2230a_100000181211_100011934791 [0,1,0,0,0,0|2,0,0]=3 2483 B17R2.2104 CN(CCCF)c1ccc2ccccc2c1 269982a_100000181211_100011934791 [0,1,0,0,0,0|2,0,0]=3 2484 B17R2.2104 CN(CCCF)c1ccc2ccccc2c1 34a_100000181211_100011934791 [0,1,0,0,0,0|2,0,0]=3 2485 B17R2.2104 CN(CCCO)c1ccc2ccccc2c1 2230a_100000181211_100000230001 [0,1,0,0,0,0|2,0,0]=3 2486 B17R2.2104 CN(CCCO)c1ccc2ccccc2c1 269982a_100000181211_100011215043 [0,1,0,0,0,0|2,0,0]=3 2487 B17R2.2104 CN(CCCO)c1ccc2ccccc2c1 34a_100000181211_100000230001 [0,1,0,0,0,0|2,0,0]=3 2488 B17R2.2104 CN(CCCO)c1ccc2ccccc2n1 27a_100000213112_100011291633 [0,1,0,0,0,0|3,0,0]=4 2489 B17R2.2104 COCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000233755 [0,1,0,0,0,0|2,0,0]=3 2490 B17R2.2104 COCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000233755 [0,1,0,0,0,0|3,0,0]=4 2491 B17R2.2104 COCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000233755 [0,1,0,0,0,0|3,0,0]=4 2492 B17R2.2104 COCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000233755 [0,1,0,0,0,0|3,0,0]=4 2493 B17R2.2104 COCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000233755 [0,1,0,0,0,0|3,0,0]=4 2494 B17R2.2104 COCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100011201679 [0,1,0,0,0,0|2,0,0]=3 2495 B17R2.2104 COCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000233755 [0,1,0,0,0,0|2,0,0]=3 2496 B17R2.2104 COCCN(C)c1ccc2ccccc2c1 34a_100000181211_100011201679 [0,1,0,0,0,0|2,0,0]=3 2497 B17R2.2104 COCCN(C)c1ccc2ccccc2n1 27a_100000743101_100011291633 [0,1,0,0,0,0|3,0,0]=4 2498 B17R2.2104 COCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000766300 [0,1,0,0,0,0|3,0,0]=4 2499 B17R2.2104 CSCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000751147 [0,1,0,0,0,0|2,0,0]=3 2500 B17R2.2104 CSCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000751147 [0,1,0,0,0,0|3,0,0]=4 2501 B17R2.2104 CSCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000751147 [0,1,0,0,0,0|3,0,0]=4 2502 B17R2.2104 CSCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000751147 [0,1,0,0,0,0|3,0,0]=4 2503 B17R2.2104 CSCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000751147 [0,1,0,0,0,0|3,0,0]=4 2504 B17R2.2104 CSCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000751147 [0,1,0,0,0,0|2,0,0]=3 2505 B17R2.2104 CSCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000212216 [0,1,0,0,0,0|2,0,0]=3 2506 B17R2.2104 CSCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000212216 [0,1,0,0,0,0|2,0,0]=3 2507 B17R2.2104 CSCCN(C)c1ccc2ccccc2n1 27a_100000686725_100011291633 [0,1,0,0,0,0|3,0,0]=4 2508 B17R2.2104 CSCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100011218213 [0,1,0,0,0,0|3,0,0]=4 2509 B17R2.2104 CSCOC(C)c1ccc2ccccc2c1 34a_100011215343_100011218213 [0,1,0,0,0,0|3,0,0]=4 2510 B17R2.2104 N#CCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100011215226 [0,1,0,0,0,0|2,0,1]=4 2511 B17R2.2104 O=C(CCCF)c1ccc2ccccc2c1 1458a_100000210637_100011934791 [0,1,0,0,0,0|2,0,0]=3 2512 B17R2.2104 O=C(CCCF)c1ccc2cccnc2c1 1458a_100011933907_100011934791 [0,1,0,0,0,0|3,0,0]=4 2513 B17R2.2104 O=C(CCCF)c1ccc2ccncc2c1 1458a_100000070124_100011934791 [0,1,0,0,0,0|3,0,0]=4 2514 B17R2.2104 O=C(CCCF)c1ccc2cnccc2c1 1458a_100011935275_100011934791 [0,1,0,0,0,0|3,0,0]=4 2515 B17R2.2104 O=C(CCCF)c1ccc2ncccc2c1 1458a_100011216044_100011934791 [0,1,0,0,0,0|3,0,0]=4 2516 B17R2.2104 O=C(CCCO)c1ccc2ccccc2c1 1458a_100000210637_100011215043 [0,1,0,0,0,0|2,0,0]=3 2517 B17R2.2104 O=C(CCCO)c1ccc2cccnc2c1 1458a_100011933907_100011215043 [0,1,0,0,0,0|3,0,0]=4 2518 B17R2.2104 O=C(CCCO)c1ccc2ccncc2c1 1458a_100000070124_100011215043 [0,1,0,0,0,0|3,0,0]=4 2519 B17R2.2104 O=C(CCCO)c1ccc2cnccc2c1 1458a_100011935275_100011215043 [0,1,0,0,0,0|3,0,0]=4 2520 B17R2.2104 O=C(CCCO)c1ccc2ncccc2c1 1458a_100011216044_100011215043 [0,1,0,0,0,0|3,0,0]=4 2521 B17R2.2104 O=C(CSCF)c1ccc2ccccc2c1 62a_100000211431_100015361967 [0,1,0,0,0,0|3,0,0]=4 2522 B17R2.2104 O=C(CSCF)c1ccc2ccccc2c1 62a_100015361967_100000211431 [0,1,0,0,0,0|3,0,0]=4 2523 B17R2.2104 O=C(NCCF)c1ccc2ccccc2c1 11a_100000724931_100000210637 [0,1,0,0,0,0|3,0,0]=4 2524 B17R2.2104 O=C(NCCF)c1ccc2ccccc2c1 1626a_100000724931_100000210637 [0,1,0,0,0,0|3,0,0]=4 2525 B17R2.2104 O=C(NCCF)c1ccc2ccccc2c1 240690a_100000724931_100000210637 [0,1,0,0,0,0|3,0,0]=4 2526 B17R2.2104 O=C(NCCF)c1ccc2ccccc2c1 527a_100000724931_100000210637 [0,1,0,0,0,0|3,0,0]=4 2527 B17R2.2104 O=C(NCCO)c1ccc2ccccc2c1 240690a_100000210304_100000210637 [0,1,0,0,0,0|3,0,0]=4 2528 B17R2.2104 O=C(NCCO)c1ccc2ccccc2c1 527a_100000210304_100000210637 [0,1,0,0,0,0|3,0,0]=4 2529 B17R2.2104 OC(CNCF)c1ccc2ccccc2c1 34a_100000754022_100015361967 [0,1,0,0,0,0|3,0,0]=4 2530 B17R2.2159 CC(CC#N)Nc1ccc2ccccc2c1 7a_100000211940_100009813641 [0,1,0,0,0,0|2,0,1]=4 2531 B17R2.2159 CC(CC#N)Oc1ccc2ccccc2c1 7a_100000185828_100009813641 [0,1,0,0,0,0|1,0,1]=3 2532 B17R2.2159 CC(CC#N)Oc1ccc2ccncc2c1 7a_100000752006_100009813641 [0,1,0,0,0,0|2,0,1]=4 2533 B17R2.2159 CC(CC#N)Oc1ccc2cnccc2c1 7a_100000046372_100009813641 [0,1,0,0,0,0|2,0,1]=4 2534 B17R2.2159 CC(CC#N)Oc1ccc2ncccc2c1 7a_100011215586_100009813641 [0,1,0,0,0,0|2,0,1]=4 2535 B17R2.2159 CC(CC#N)Oc1cnc2ccccc2c1 7a_100011934006_100009813641 [0,1,0,0,0,0|2,0,1]=4 2536 B17R2.2159 CC(CC#N)Sc1ccc2ccccc2c1 62a_100009813641_100000233703 [0,1,0,0,0,0|1,1,1]=4 2537 B17R2.2159 CC(CCO)Nc1ccc2ccccc2c1 34a_100000211940_100009893172 [0,1,0,0,0,0|2,0,0]=3 2538 B17R2.2159 CC(CCO)Nc1ccc2ccccc2c1 7a_100000211940_100009893172 [0,1,0,0,0,0|2,0,0]=3 2539 B17R2.2159 CC(CCO)Nc1ccc2cccnc2c1 34a_100102887122_100009893172 [0,1,0,0,0,0|3,0,0]=4 2540 B17R2.2159 CC(CCO)Nc1ccc2cnccc2c1 34a_100000039641_100009893172 [0,1,0,0,0,0|3,0,0]=4 2541 B17R2.2159 CC(CCO)Nc1ccc2ncccc2c1 34a_100011198106_100009893172 [0,1,0,0,0,0|3,0,0]=4 2542 B17R2.2159 CC(CCO)Oc1ccc2ccccc2c1 34a_100000185828_100009893172 [0,1,0,0,0,0|1,0,0]=2 2543 B17R2.2159 CC(CCO)Oc1ccc2ccccc2c1 7a_100000185828_100009893172 [0,1,0,0,0,0|1,0,0]=2 2544 B17R2.2159 CC(CCO)Oc1ccc2cccnc2c1 34a_100011216045_100009893172 [0,1,0,0,0,0|2,0,0]=3 2545 B17R2.2159 CC(CCO)Oc1ccc2ccncc2c1 7a_100000752006_100009893172 [0,1,0,0,0,0|2,0,0]=3 2546 B17R2.2159 CC(CCO)Oc1ccc2cnccc2c1 34a_100000046372_100009893172 [0,1,0,0,0,0|2,0,0]=3 2547 B17R2.2159 CC(CCO)Oc1ccc2cnccc2c1 7a_100000046372_100009893172 [0,1,0,0,0,0|2,0,0]=3 2548 B17R2.2159 CC(CCO)Oc1ccc2ncccc2c1 34a_100011215586_100009893172 [0,1,0,0,0,0|2,0,0]=3 2549 B17R2.2159 CC(CCO)Oc1ccc2ncccc2c1 7a_100011215586_100009893172 [0,1,0,0,0,0|2,0,0]=3 2550 B17R2.2159 CC(CCO)Oc1ccc2nccnc2c1 34a_100000694412_100009893172 [0,1,0,0,0,0|3,0,0]=4 2551 B17R2.2159 CC(CCO)Oc1cnc2ccccc2c1 34a_100011934006_100009893172 [0,1,0,0,0,0|2,0,0]=3 2552 B17R2.2159 CC(CCO)Oc1cnc2ccccc2c1 7a_100011934006_100009893172 [0,1,0,0,0,0|2,0,0]=3 2553 B17R2.2159 CC(CCO)Sc1cc2ccccc2cn1 62a_100009816522_100009893172 [0,1,0,0,0,0|2,1,0]=4 2554 B17R2.2159 CC(CCO)Sc1cc2ccccc2cn1 62a_100009893172_100000047361 [0,1,0,0,0,0|2,1,0]=4 2555 B17R2.2159 CC(CCO)Sc1ccc2ccccc2c1 62a_100009893172_100000233703 [0,1,0,0,0,0|1,1,0]=3 2556 B17R2.2159 CC(CCO)Sc1ccc2ccccc2n1 62a_100009893172_100011291633 [0,1,0,0,0,0|2,1,0]=4 2557 B17R2.2159 CC(CCO)Sc1ccc2ccccc2n1 62a_100011291633_100009893172 [0,1,0,0,0,0|2,1,0]=4 2558 B17R2.2159 CC(CCO)Sc1ccc2cccnc2c1 62a_100009893172_100009816655 [0,1,0,0,0,0|2,1,0]=4 2559 B17R2.2159 CC(CCO)Sc1ccc2ccncc2c1 62a_100000686496_100009893172 [0,1,0,0,0,0|2,1,0]=4 2560 B17R2.2159 CC(CCO)Sc1ccc2ccncc2c1 62a_100009893172_100000686496 [0,1,0,0,0,0|2,1,0]=4 2561 B17R2.2159 CC(CCO)Sc1ccc2cnccc2c1 62a_100009816743_100009893172 [0,1,0,0,0,0|2,1,0]=4 2562 B17R2.2159 CC(CCO)Sc1ccc2cnccc2c1 62a_100009893172_100009816743 [0,1,0,0,0,0|2,1,0]=4 2563 B17R2.2159 CC(CCO)Sc1ccc2ncccc2c1 62a_100009893172_100011215947 [0,1,0,0,0,0|2,1,0]=4 2564 B17R2.2159 CC(CCO)Sc1ccc2ncccc2c1 62a_100011215947_100009893172 [0,1,0,0,0,0|2,1,0]=4 2565 B17R2.2159 CC(CCO)Sc1cnc2ccccc2c1 62a_100009893172_100000737414 [0,1,0,0,0,0|2,1,0]=4 2566 B17R2.2159 CCCC(=O)Cc1cc2ccccc2cn1 1458a_100000211992_100009869231 [0,1,0,0,0,0|2,0,1]=4 2567 B17R2.2159 CCCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210303 [0,1,0,0,0,0|1,0,1]=3 2568 B17R2.2159 CCCC(=O)Cc1ccc2ccccc2c1 1458a_100000211992_100011216711 [0,1,0,0,0,0|1,0,1]=3 2569 B17R2.2159 CCCC(=O)Cc1ccc2ccccc2n1 1458a_100000211992_100000737579 [0,1,0,0,0,0|2,0,1]=4 2570 B17R2.2159 CCCC(=O)Cc1ccc2cnccc2c1 1458a_100000211992_100020605334 [0,1,0,0,0,0|2,0,1]=4 2571 B17R2.2159 CCCC(=O)Cc1ccc2ncccc2c1 1458a_100000211992_100000703657 [0,1,0,0,0,0|2,0,1]=4 2572 B17R2.2159 CCCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210303 [0,1,0,0,0,0|2,0,1]=4 2573 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000211992 [0,1,0,0,0,0|1,0,1]=3 2574 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000211992 [0,1,0,0,0,0|1,0,1]=3 2575 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000211992 [0,1,0,0,0,0|1,0,1]=3 2576 B17R2.2159 CCCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000211992 [0,1,0,0,0,0|1,0,1]=3 2577 B17R2.2159 CCCC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100000211992 [0,1,0,0,0,0|2,0,1]=4 2578 B17R2.2159 CCCC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000211992 [0,1,0,0,0,0|2,0,1]=4 2579 B17R2.2159 CCCC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000211992 [0,1,0,0,0,0|2,0,1]=4 2580 B17R2.2159 CCCC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100000211992 [0,1,0,0,0,0|2,0,1]=4 2581 B17R2.2159 CCCC(=O)Nc1ccc2ccncc2c1 11a_100000069342_100000211992 [0,1,0,0,0,0|2,0,1]=4 2582 B17R2.2159 CCCC(=O)Nc1ccc2ccncc2c1 1626a_100000069342_100000211992 [0,1,0,0,0,0|2,0,1]=4 2583 B17R2.2159 CCCC(=O)Nc1ccc2ccncc2c1 22a_100000069342_100000211992 [0,1,0,0,0,0|2,0,1]=4 2584 B17R2.2159 CCCC(=O)Nc1ccc2ccncc2c1 527a_100000069342_100000211992 [0,1,0,0,0,0|2,0,1]=4 2585 B17R2.2159 CCCC(=O)Nc1ccc2cnccc2c1 11a_100000039641_100000211992 [0,1,0,0,0,0|2,0,1]=4 2586 B17R2.2159 CCCC(=O)Nc1ccc2cnccc2c1 1626a_100000039641_100000211992 [0,1,0,0,0,0|2,0,1]=4 2587 B17R2.2159 CCCC(=O)Nc1ccc2cnccc2c1 22a_100000039641_100000211992 [0,1,0,0,0,0|2,0,1]=4 2588 B17R2.2159 CCCC(=O)Nc1ccc2cnccc2c1 527a_100000039641_100000211992 [0,1,0,0,0,0|2,0,1]=4 2589 B17R2.2159 CCCC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100000211992 [0,1,0,0,0,0|2,0,1]=4 2590 B17R2.2159 CCCC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100000211992 [0,1,0,0,0,0|2,0,1]=4 2591 B17R2.2159 CCCC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000211992 [0,1,0,0,0,0|2,0,1]=4 2592 B17R2.2159 CCCC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100000211992 [0,1,0,0,0,0|2,0,1]=4 2593 B17R2.2159 CCCC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000766640 [0,1,0,0,0,0|1,0,0]=2 2594 B17R2.2159 CCCC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000766640 [0,1,0,0,0,0|1,0,0]=2 2595 B17R2.2159 CCCC(C)Nc1ccc2ccccc2n1 27a_100000741246_100011291633 [0,1,0,0,0,0|2,0,0]=3 2596 B17R2.2159 CCCC(C)Nc1ccc2cccnc2c1 34a_100102887122_100000766640 [0,1,0,0,0,0|2,0,0]=3 2597 B17R2.2159 CCCC(C)Nc1ccc2cccnc2n1 27a_100000741246_100000075685 [0,1,0,0,0,0|3,0,0]=4 2598 B17R2.2159 CCCC(C)Nc1ccc2ccncc2n1 27a_100000741246_100000020162 [0,1,0,0,0,0|3,0,0]=4 2599 B17R2.2159 CCCC(C)Nc1ccc2cnccc2c1 34a_100000039641_100000766640 [0,1,0,0,0,0|2,0,0]=3 2600 B17R2.2159 CCCC(C)Nc1ccc2cncnc2c1 27a_100000741246_100010185614 [0,1,0,0,0,0|3,0,0]=4 2601 B17R2.2159 CCCC(C)Nc1ccc2ncccc2c1 34a_100011198106_100000766640 [0,1,0,0,0,0|2,0,0]=3 2602 B17R2.2159 CCCC(C)Nc1ccc2ncccc2n1 27a_100000741246_100000073381 [0,1,0,0,0,0|3,0,0]=4 2603 B17R2.2159 CCCC(C)Nc1ccc2nccnc2c1 27a_100000741246_100011219451 [0,1,0,0,0,0|3,0,0]=4 2604 B17R2.2159 CCCC(C)Nc1ccc2nccnc2c1 34a_100011219565_100000766640 [0,1,0,0,0,0|3,0,0]=4 2605 B17R2.2159 CCCC(C)Nc1cnc2ccccc2n1 27a_100000741246_100000756483 [0,1,0,0,0,0|3,0,0]=4 2606 B17R2.2159 CCCC(C)Nc1ncc2ccccc2n1 27a_100000741246_100000097389 [0,1,0,0,0,0|3,0,0]=4 2607 B17R2.2159 CCCC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000766640 [0,1,0,0,0,0|0,0,0]=1 2608 B17R2.2159 CCCC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000766640 [0,1,0,0,0,0|0,0,0]=1 2609 B17R2.2159 CCCC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000766640 [0,1,0,0,0,0|1,0,0]=2 2610 B17R2.2159 CCCC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000766640 [0,1,0,0,0,0|1,0,0]=2 2611 B17R2.2159 CCCC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000766640 [0,1,0,0,0,0|1,0,0]=2 2612 B17R2.2159 CCCC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000766640 [0,1,0,0,0,0|1,0,0]=2 2613 B17R2.2159 CCCC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000766640 [0,1,0,0,0,0|1,0,0]=2 2614 B17R2.2159 CCCC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000766640 [0,1,0,0,0,0|1,0,0]=2 2615 B17R2.2159 CCCC(C)Oc1ccc2nccnc2c1 34a_100000694412_100000766640 [0,1,0,0,0,0|2,0,0]=3 2616 B17R2.2159 CCCC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000766640 [0,1,0,0,0,0|1,0,0]=2 2617 B17R2.2159 CCCC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000766640 [0,1,0,0,0,0|1,0,0]=2 2618 B17R2.2159 CCCC(C)Sc1cc2ccccc2cn1 62a_100000766640_100000047361 [0,1,0,0,0,0|1,1,0]=3 2619 B17R2.2159 CCCC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000766640 [0,1,0,0,0,0|1,1,0]=3 2620 B17R2.2159 CCCC(C)Sc1ccc2ccccc2n1 62a_100000766640_100011291633 [0,1,0,0,0,0|1,1,0]=3 2621 B17R2.2159 CCCC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000766640 [0,1,0,0,0,0|1,1,0]=3 2622 B17R2.2159 CCCC(C)Sc1ccc2cccnc2c1 62a_100000766640_100009816655 [0,1,0,0,0,0|1,1,0]=3 2623 B17R2.2159 CCCC(C)Sc1ccc2cccnc2n1 62a_100000075685_100000766640 [0,1,0,0,0,0|2,1,0]=4 2624 B17R2.2159 CCCC(C)Sc1ccc2cccnc2n1 62a_100000766640_100000075685 [0,1,0,0,0,0|2,1,0]=4 2625 B17R2.2159 CCCC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000766640 [0,1,0,0,0,0|1,1,0]=3 2626 B17R2.2159 CCCC(C)Sc1ccc2ccncc2c1 62a_100000766640_100000686496 [0,1,0,0,0,0|1,1,0]=3 2627 B17R2.2159 CCCC(C)Sc1ccc2ccncc2n1 62a_100000766640_100000020162 [0,1,0,0,0,0|2,1,0]=4 2628 B17R2.2159 CCCC(C)Sc1ccc2cnccc2c1 62a_100000766640_100009816743 [0,1,0,0,0,0|1,1,0]=3 2629 B17R2.2159 CCCC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000766640 [0,1,0,0,0,0|1,1,0]=3 2630 B17R2.2159 CCCC(C)Sc1ccc2cncnc2c1 62a_100000766640_100010185614 [0,1,0,0,0,0|2,1,0]=4 2631 B17R2.2159 CCCC(C)Sc1ccc2cncnc2c1 62a_100010185614_100000766640 [0,1,0,0,0,0|2,1,0]=4 2632 B17R2.2159 CCCC(C)Sc1ccc2cnncc2c1 62a_100000766640_100010198781 [0,1,0,0,0,0|2,1,0]=4 2633 B17R2.2159 CCCC(C)Sc1ccc2cnncc2c1 62a_100010198781_100000766640 [0,1,0,0,0,0|2,1,0]=4 2634 B17R2.2159 CCCC(C)Sc1ccc2ncccc2c1 62a_100000766640_100011215947 [0,1,0,0,0,0|1,1,0]=3 2635 B17R2.2159 CCCC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000766640 [0,1,0,0,0,0|1,1,0]=3 2636 B17R2.2159 CCCC(C)Sc1ccc2ncccc2n1 62a_100000766640_100000073381 [0,1,0,0,0,0|2,1,0]=4 2637 B17R2.2159 CCCC(C)Sc1ccc2nccnc2c1 62a_100000766640_100011219451 [0,1,0,0,0,0|2,1,0]=4 2638 B17R2.2159 CCCC(C)Sc1ccc2nccnc2c1 62a_100011219451_100000766640 [0,1,0,0,0,0|2,1,0]=4 2639 B17R2.2159 CCCC(C)Sc1ccc2ncncc2c1 62a_100000766640_100009989443 [0,1,0,0,0,0|2,1,0]=4 2640 B17R2.2159 CCCC(C)Sc1ccc2ncncc2c1 62a_100009989443_100000766640 [0,1,0,0,0,0|2,1,0]=4 2641 B17R2.2159 CCCC(C)Sc1ccc2nnccc2c1 62a_100000766640_100010209549 [0,1,0,0,0,0|2,1,0]=4 2642 B17R2.2159 CCCC(C)Sc1ccc2nnccc2c1 62a_100010209549_100000766640 [0,1,0,0,0,0|2,1,0]=4 2643 B17R2.2159 CCCC(C)Sc1cnc2ccccc2c1 62a_100000766640_100000737414 [0,1,0,0,0,0|1,1,0]=3 2644 B17R2.2159 CCCC(C)Sc1cnc2ccccc2n1 62a_100000756483_100000766640 [0,1,0,0,0,0|2,1,0]=4 2645 B17R2.2159 CCCC(C)Sc1cnc2ccccc2n1 62a_100000766640_100000756483 [0,1,0,0,0,0|2,1,0]=4 2646 B17R2.2159 CCCC(C)Sc1cnc2cccnc2c1 62a_100000766640_100010246316 [0,1,0,0,0,0|2,1,0]=4 2647 B17R2.2159 CCCC(C)Sc1cnc2cccnc2c1 62a_100010246316_100000766640 [0,1,0,0,0,0|2,1,0]=4 2648 B17R2.2159 CCCC(C)Sc1ncc2ccccc2n1 62a_100000766640_100000097389 [0,1,0,0,0,0|2,1,0]=4 2649 B17R2.2159 CCCN(C)Cc1cc2ccccc2cn1 2230a_100000747261_100009869231 [0,1,0,0,0,0|3,0,0]=4 2650 B17R2.2159 CCCN(C)Cc1cc2ccccc2cn1 269982a_100000747261_100009869231 [0,1,0,0,0,0|3,0,0]=4 2651 B17R2.2159 CCCN(C)Cc1cc2ccccc2cn1 270004a_100000747261_100000059776 [0,1,0,0,0,0|3,0,0]=4 2652 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210303 [0,1,0,0,0,0|2,0,0]=3 2653 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 2230a_100000747261_100011216711 [0,1,0,0,0,0|2,0,0]=3 2654 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000210303 [0,1,0,0,0,0|2,0,0]=3 2655 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 269982a_100000747261_100011216711 [0,1,0,0,0,0|2,0,0]=3 2656 B17R2.2159 CCCN(C)Cc1ccc2ccccc2c1 270004a_100000747261_100000211584 [0,1,0,0,0,0|2,0,0]=3 2657 B17R2.2159 CCCN(C)Cc1ccc2ccccc2n1 2230a_100000747261_100000737579 [0,1,0,0,0,0|3,0,0]=4 2658 B17R2.2159 CCCN(C)Cc1ccc2ccccc2n1 270004a_100000747261_100000759686 [0,1,0,0,0,0|3,0,0]=4 2659 B17R2.2159 CCCN(C)Cc1ccc2cccnc2c1 270004a_100000747261_100011784159 [0,1,0,0,0,0|3,0,0]=4 2660 B17R2.2159 CCCN(C)Cc1ccc2cnccc2c1 2230a_100000747261_100020605334 [0,1,0,0,0,0|3,0,0]=4 2661 B17R2.2159 CCCN(C)Cc1ccc2cnccc2c1 269982a_100000747261_100020605334 [0,1,0,0,0,0|3,0,0]=4 2662 B17R2.2159 CCCN(C)Cc1ccc2cnccc2c1 270004a_100000747261_100000068276 [0,1,0,0,0,0|3,0,0]=4 2663 B17R2.2159 CCCN(C)Cc1ccc2ncccc2c1 2230a_100000207558_100000210303 [0,1,0,0,0,0|3,0,0]=4 2664 B17R2.2159 CCCN(C)Cc1ccc2ncccc2c1 2230a_100000747261_100000703657 [0,1,0,0,0,0|3,0,0]=4 2665 B17R2.2159 CCCN(C)Cc1ccc2ncccc2c1 269982a_100000207558_100000210303 [0,1,0,0,0,0|3,0,0]=4 2666 B17R2.2159 CCCN(C)Cc1ccc2ncccc2c1 269982a_100000747261_100000703657 [0,1,0,0,0,0|3,0,0]=4 2667 B17R2.2159 CCCN(C)Cc1ccc2ncccc2c1 270004a_100000747261_100000211315 [0,1,0,0,0,0|3,0,0]=4 2668 B17R2.2159 CCCN(C)Cc1cnc2ccccc2c1 2230a_100011875994_100000210303 [0,1,0,0,0,0|3,0,0]=4 2669 B17R2.2159 CCCN(C)Cc1cnc2ccccc2c1 269982a_100011875994_100000210303 [0,1,0,0,0,0|3,0,0]=4 2670 B17R2.2159 CCCN(C)Cc1cnc2ccccc2c1 270004a_100000747261_100000750898 [0,1,0,0,0,0|3,0,0]=4 2671 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 11a_100015525214_100000181716 [0,1,0,0,0,0|2,0,1]=4 2672 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 240690a_100015525214_100000181716 [0,1,0,0,0,0|2,0,1]=4 2673 B17R2.2159 CCNC(=O)Cc1ccc2ccccc2c1 527a_100015525214_100000181716 [0,1,0,0,0,0|2,0,1]=4 2674 B17R2.2159 CCNC(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100015525214 [0,1,0,0,0,0|2,0,1]=4 2675 B17R2.2159 CCNC(C)Cc1ccc2ccccc2n1 270004a_100015525214_100011245913 [0,1,0,0,0,0|3,0,0]=4 2676 B17R2.2159 CN(CCF)Cc1ccc2ccccc2c1 2230a_100000185194_100011217306 [0,1,0,0,0,0|3,0,0]=4 2677 B17R2.2159 CN(CCF)Cc1ccc2ccccc2c1 269982a_100000185194_100011217306 [0,1,0,0,0,0|3,0,0]=4 2678 B17R2.2159 CN(CCO)Cc1ccc2ccccc2c1 2230a_100000185194_100000211926 [0,1,0,0,0,0|3,0,0]=4 2679 B17R2.2159 CN(CCO)Cc1ccc2ccccc2c1 2230a_100000210263_100011216711 [0,1,0,0,0,0|3,0,0]=4 2680 B17R2.2159 CN(CCO)Cc1ccc2ccccc2c1 269982a_100000185194_100000211926 [0,1,0,0,0,0|3,0,0]=4 2681 B17R2.2159 CN(CCO)Cc1ccc2ccccc2c1 269982a_100000210263_100011216711 [0,1,0,0,0,0|3,0,0]=4 2682 B17R2.2159 CN(CCO)Cc1ccc2ccccc2c1 270004a_100000210263_100000211584 [0,1,0,0,0,0|3,0,0]=4 2683 B17R2.2159 CNCC(=O)Nc1ccc2ccccc2c1 2230a_106832991635_200000182969 [0,1,0,0,0,0|2,0,1]=4 2684 B17R2.2159 CNCC(=O)Nc1ccc2ccccc2c1 2230a_200000168428_200000210301 [0,1,0,0,0,0|2,0,1]=4 2685 B17R2.2159 CNCC(=O)Nc1ccc2ccccc2c1 34a_100102657272_200000182969 [0,1,0,0,0,0|2,0,1]=4 2686 B17R2.2159 CNCC(=O)Nc1ccc2ccccc2c1 7a_106832991635_200000182969 [0,1,0,0,0,0|2,0,1]=4 2687 B17R2.2159 COCC(=O)Cc1ccc2ccccc2c1 1458a_100000210968_100011216711 [0,1,0,0,0,0|2,0,1]=4 2688 B17R2.2159 COCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210968 [0,1,0,0,0,0|2,0,1]=4 2689 B17R2.2159 COCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210968 [0,1,0,0,0,0|2,0,1]=4 2690 B17R2.2159 COCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210968 [0,1,0,0,0,0|2,0,1]=4 2691 B17R2.2159 COCC(=O)Nc1ccc2ccccc2c1 34a_100138415774_200000182969 [0,1,0,0,0,0|2,0,1]=4 2692 B17R2.2159 COCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210968 [0,1,0,0,0,0|2,0,1]=4 2693 B17R2.2159 COCC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000765312 [0,1,0,0,0,0|2,0,0]=3 2694 B17R2.2159 COCC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000765312 [0,1,0,0,0,0|2,0,0]=3 2695 B17R2.2159 COCC(C)Nc1ccc2cccnc2c1 34a_100102887122_100000765312 [0,1,0,0,0,0|3,0,0]=4 2696 B17R2.2159 COCC(C)Nc1ccc2cnccc2c1 34a_100000039641_100000765312 [0,1,0,0,0,0|3,0,0]=4 2697 B17R2.2159 COCC(C)Nc1ccc2ncccc2c1 34a_100011198106_100000765312 [0,1,0,0,0,0|3,0,0]=4 2698 B17R2.2159 COCC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000765312 [0,1,0,0,0,0|1,0,0]=2 2699 B17R2.2159 COCC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000765312 [0,1,0,0,0,0|1,0,0]=2 2700 B17R2.2159 COCC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000765312 [0,1,0,0,0,0|2,0,0]=3 2701 B17R2.2159 COCC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000765312 [0,1,0,0,0,0|2,0,0]=3 2702 B17R2.2159 COCC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000765312 [0,1,0,0,0,0|2,0,0]=3 2703 B17R2.2159 COCC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000765312 [0,1,0,0,0,0|2,0,0]=3 2704 B17R2.2159 COCC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000765312 [0,1,0,0,0,0|2,0,0]=3 2705 B17R2.2159 COCC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000765312 [0,1,0,0,0,0|2,0,0]=3 2706 B17R2.2159 COCC(C)Oc1ccc2nccnc2c1 34a_100000694412_100000765312 [0,1,0,0,0,0|3,0,0]=4 2707 B17R2.2159 COCC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000765312 [0,1,0,0,0,0|2,0,0]=3 2708 B17R2.2159 COCC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000765312 [0,1,0,0,0,0|2,0,0]=3 2709 B17R2.2159 COCC(C)Sc1cc2ccccc2cn1 62a_100000765312_100000047361 [0,1,0,0,0,0|2,1,0]=4 2710 B17R2.2159 COCC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000765312 [0,1,0,0,0,0|2,1,0]=4 2711 B17R2.2159 COCC(C)Sc1ccc2ccccc2c1 62a_100000765312_100000233703 [0,1,0,0,0,0|1,1,0]=3 2712 B17R2.2159 COCC(C)Sc1ccc2ccccc2n1 62a_100000765312_100011291633 [0,1,0,0,0,0|2,1,0]=4 2713 B17R2.2159 COCC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000765312 [0,1,0,0,0,0|2,1,0]=4 2714 B17R2.2159 COCC(C)Sc1ccc2cccnc2c1 62a_100000765312_100009816655 [0,1,0,0,0,0|2,1,0]=4 2715 B17R2.2159 COCC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000765312 [0,1,0,0,0,0|2,1,0]=4 2716 B17R2.2159 COCC(C)Sc1ccc2ccncc2c1 62a_100000765312_100000686496 [0,1,0,0,0,0|2,1,0]=4 2717 B17R2.2159 COCC(C)Sc1ccc2cnccc2c1 62a_100000765312_100009816743 [0,1,0,0,0,0|2,1,0]=4 2718 B17R2.2159 COCC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000765312 [0,1,0,0,0,0|2,1,0]=4 2719 B17R2.2159 COCC(C)Sc1ccc2ncccc2c1 62a_100000765312_100011215947 [0,1,0,0,0,0|2,1,0]=4 2720 B17R2.2159 COCC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000765312 [0,1,0,0,0,0|2,1,0]=4 2721 B17R2.2159 COCC(C)Sc1cnc2ccccc2c1 62a_100000765312_100000737414 [0,1,0,0,0,0|2,1,0]=4 2722 B17R2.2159 COCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000766300 [0,1,0,0,0,0|3,0,0]=4 2723 B17R2.2159 COCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000766300 [0,1,0,0,0,0|3,0,0]=4 2724 B17R2.2159 COC[C@@H](C)Nc1ccc2ccccc2n1 27a_100000764878_100011291633 [0,1,0,0,0,0|3,0,0]=4 2725 B17R2.2159 CSCC(=O)Cc1ccc2ccccc2c1 1458a_100000184570_100011216711 [0,1,0,0,0,0|2,0,1]=4 2726 B17R2.2159 CSCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000184570 [0,1,0,0,0,0|2,0,1]=4 2727 B17R2.2159 CSCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000184570 [0,1,0,0,0,0|2,0,1]=4 2728 B17R2.2159 CSCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000184570 [0,1,0,0,0,0|2,0,1]=4 2729 B17R2.2159 CSCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000184570 [0,1,0,0,0,0|2,0,1]=4 2730 B17R2.2159 CSCC(=O)Nc1ccc2ccccc2c1 62a_200000210301_200000182969 [0,1,0,0,0,0|2,0,1]=4 2731 B17R2.2159 CSCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100011218213 [0,1,0,0,0,0|3,0,0]=4 2732 B17R2.2159 CSCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100011218213 [0,1,0,0,0,0|3,0,0]=4 2733 B17R2.2159 C[C@H](CCO)Nc1ccc2ccccc2n1 27a_100000706166_100011291633 [0,1,0,0,0,0|3,0,0]=4 2734 B17R2.2159 O=C(CCF)Cc1ccc2ccccc2c1 1458a_100000181716_100011217306 [0,1,0,0,0,0|2,0,1]=4 2735 B17R2.2159 O=C(CCO)Cc1ccc2ccccc2c1 1458a_100000181716_100000211926 [0,1,0,0,0,0|2,0,1]=4 2736 B17R2.2159 O=C(CCO)Cc1ccc2ccccc2c1 1458a_100011216618_100011216711 [0,1,0,0,0,0|2,0,1]=4 2737 B17R2.2159 O=C(CCO)Nc1ccc2ccccc2c1 22a_100000211940_100011216618 [0,1,0,0,0,0|2,0,1]=4 2738 B17R2.2159 [13CH3]NCC(=O)Nc1ccc2ccccc2c1 2230a_200000168428_200025704644 [0,1,0,0,0,0|2,0,1]=4 2739 B17R2.2159 [13CH3]SCC(=O)Nc1ccc2ccccc2c1 62a_200025704644_200000182969 [0,1,0,0,0,0|2,0,1]=4 2740 B17R2.2708 BrCCOCc1ccc2ccccc2c1Br 34a_100000211926_100009813938 [0,1,0,0,0,0|3,0,0]=4 2741 B17R2.2708 C#CCCNc1ccc2ccccc2c1Br 34a_100000705303_100000688953 [0,1,0,0,0,0|1,0,2]=4 2742 B17R2.2708 C#CCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000688953 [0,1,0,0,0,0|1,0,2]=4 2743 B17R2.2708 C#CCCNc1ccc2ccccc2c1O 34a_100000007060_100000688953 [0,1,0,0,0,0|1,0,2]=4 2744 B17R2.2708 C#CCCOc1ccc2ccccc2c1Br 34a_100000183829_100000688953 [0,1,0,0,0,0|0,0,2]=3 2745 B17R2.2708 C#CCCOc1ccc2ccccc2c1Br 7a_100000183829_100000688953 [0,1,0,0,0,0|0,0,2]=3 2746 B17R2.2708 C#CCCOc1ccc2ccccc2c1C 34a_100009830054_100000688953 [0,1,0,0,0,0|0,0,2]=3 2747 B17R2.2708 C#CCCOc1ccc2ccccc2c1C 7a_100009830054_100000688953 [0,1,0,0,0,0|0,0,2]=3 2748 B17R2.2708 C#CCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000688953 [0,1,0,0,0,0|0,0,2]=3 2749 B17R2.2708 C#CCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000688953 [0,1,0,0,0,0|0,0,2]=3 2750 B17R2.2708 C#CCCOc1ccc2ccccc2c1I 34a_100000041551_100000688953 [0,1,0,0,0,0|0,0,2]=3 2751 B17R2.2708 C#CCCOc1ccc2ccccc2c1I 7a_100000041551_100000688953 [0,1,0,0,0,0|0,0,2]=3 2752 B17R2.2708 C#CCCOc1ccc2ccccc2c1N 34a_100000007056_100000688953 [0,1,0,0,0,0|0,0,2]=3 2753 B17R2.2708 C#CCCOc1ccc2ccccc2c1N 7a_100000007056_100000688953 [0,1,0,0,0,0|0,0,2]=3 2754 B17R2.2708 C#CCCOc1ccc2cccnc2c1Br 34a_100010173343_100000688953 [0,1,0,0,0,0|1,0,2]=4 2755 B17R2.2708 C#CCCOc1ccc2cccnc2c1Br 7a_100010173343_100000688953 [0,1,0,0,0,0|1,0,2]=4 2756 B17R2.2708 C#CCCOc1ccc2ccncc2c1Br 34a_200010115057_100000688953 [0,1,0,0,0,0|1,0,2]=4 2757 B17R2.2708 C#CCCOc1ccc2ccncc2c1Br 7a_200010115057_100000688953 [0,1,0,0,0,0|1,0,2]=4 2758 B17R2.2708 C#CCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000688953 [0,1,0,0,0,0|1,0,2]=4 2759 B17R2.2708 C#CCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000688953 [0,1,0,0,0,0|1,0,2]=4 2760 B17R2.2708 C#CCCSc1ccc2ccccc2c1Br 62a_100000688953_200010089984 [0,1,0,0,0,0|0,1,2]=4 2761 B17R2.2708 C#CCCSc1ccc2ccccc2c1Br 62a_200010089984_100000688953 [0,1,0,0,0,0|0,1,2]=4 2762 B17R2.2708 C#CCCSc1ccc2ccccc2c1C 62a_100000688953_100010221197 [0,1,0,0,0,0|0,1,2]=4 2763 B17R2.2708 C#CCCSc1ccc2ccccc2c1C 62a_100010221197_100000688953 [0,1,0,0,0,0|0,1,2]=4 2764 B17R2.2708 C#CCCSc1ccc2ccccc2c1F 62a_100000688953_100009832041 [0,1,0,0,0,0|0,1,2]=4 2765 B17R2.2708 C#CCCSc1ccc2ccccc2c1F 62a_100009832041_100000688953 [0,1,0,0,0,0|0,1,2]=4 2766 B17R2.2708 C#CCCSc1ccc2ccccc2c1N 62a_100009817101_100000688953 [0,1,0,0,0,0|0,1,2]=4 2767 B17R2.2708 C#CCCSc1ccc2ccccc2c1O 62a_100000688953_100009996032 [0,1,0,0,0,0|0,1,2]=4 2768 B17R2.2708 C/C=C/CNc1ccc2ccccc2c1Br 34a_100000705303_100102629194 [0,1,0,0,0,0|1,0,2]=4 2769 B17R2.2708 C/C=C/CNc1ccc2ccccc2c1Cl 34a_100000075557_100102629194 [0,1,0,0,0,0|1,0,2]=4 2770 B17R2.2708 C/C=C/CNc1ccc2ccccc2c1O 34a_100000007060_100102629194 [0,1,0,0,0,0|1,0,2]=4 2771 B17R2.2708 C/C=C/COc1ccc2ccccc2c1Br 34a_100000183829_100102629194 [0,1,0,0,0,0|0,0,2]=3 2772 B17R2.2708 C/C=C/COc1ccc2ccccc2c1Br 7a_100000183829_100102629194 [0,1,0,0,0,0|0,0,2]=3 2773 B17R2.2708 C/C=C/COc1ccc2ccccc2c1C 34a_100009830054_100102629194 [0,1,0,0,0,0|0,0,2]=3 2774 B17R2.2708 C/C=C/COc1ccc2ccccc2c1C 7a_100009830054_100102629194 [0,1,0,0,0,0|0,0,2]=3 2775 B17R2.2708 C/C=C/COc1ccc2ccccc2c1Cl 34a_100000029778_100102629194 [0,1,0,0,0,0|0,0,2]=3 2776 B17R2.2708 C/C=C/COc1ccc2ccccc2c1Cl 7a_100000029778_100102629194 [0,1,0,0,0,0|0,0,2]=3 2777 B17R2.2708 C/C=C/COc1ccc2ccccc2c1I 34a_100000041551_100102629194 [0,1,0,0,0,0|0,0,2]=3 2778 B17R2.2708 C/C=C/COc1ccc2ccccc2c1I 7a_100000041551_100102629194 [0,1,0,0,0,0|0,0,2]=3 2779 B17R2.2708 C/C=C/COc1ccc2ccccc2c1N 34a_100000007056_100102629194 [0,1,0,0,0,0|0,0,2]=3 2780 B17R2.2708 C/C=C/COc1ccc2ccccc2c1N 7a_100000007056_100102629194 [0,1,0,0,0,0|0,0,2]=3 2781 B17R2.2708 C/C=C/COc1ccc2cccnc2c1Br 34a_100010173343_100102629194 [0,1,0,0,0,0|1,0,2]=4 2782 B17R2.2708 C/C=C/COc1ccc2cccnc2c1Br 7a_100010173343_100102629194 [0,1,0,0,0,0|1,0,2]=4 2783 B17R2.2708 C/C=C/COc1ccc2ccncc2c1Br 34a_200010115057_100102629194 [0,1,0,0,0,0|1,0,2]=4 2784 B17R2.2708 C/C=C/COc1ccc2ccncc2c1Br 7a_200010115057_100102629194 [0,1,0,0,0,0|1,0,2]=4 2785 B17R2.2708 C/C=C/COc1ccc2cnccc2c1Cl 34a_100009824633_100102629194 [0,1,0,0,0,0|1,0,2]=4 2786 B17R2.2708 C/C=C/COc1ccc2cnccc2c1Cl 7a_100009824633_100102629194 [0,1,0,0,0,0|1,0,2]=4 2787 B17R2.2708 C/C=C/CSc1ccc2ccccc2c1C 62a_100010221197_100102629194 [0,1,0,0,0,0|0,1,2]=4 2788 B17R2.2708 C/C=C/CSc1ccc2ccccc2c1C 62a_100102629194_100010221197 [0,1,0,0,0,0|0,1,2]=4 2789 B17R2.2708 C/C=C/CSc1ccc2ccccc2c1F 62a_100009832041_100102629194 [0,1,0,0,0,0|0,1,2]=4 2790 B17R2.2708 C/C=C/CSc1ccc2ccccc2c1F 62a_100102629194_100009832041 [0,1,0,0,0,0|0,1,2]=4 2791 B17R2.2708 C/C=C/CSc1ccc2ccccc2c1N 62a_100009817101_100102629194 [0,1,0,0,0,0|0,1,2]=4 2792 B17R2.2708 C/C=C/CSc1ccc2ccccc2c1O 62a_100102629194_100009996032 [0,1,0,0,0,0|0,1,2]=4 2793 B17R2.2708 C=CCCNc1ccc2ccccc2c1Br 34a_100000705303_100000754431 [0,1,0,0,0,0|1,0,2]=4 2794 B17R2.2708 C=CCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000754431 [0,1,0,0,0,0|1,0,2]=4 2795 B17R2.2708 C=CCCNc1ccc2ccccc2c1O 34a_100000007060_100000754431 [0,1,0,0,0,0|1,0,2]=4 2796 B17R2.2708 C=CCCOc1ccc2ccccc2c1Br 34a_100000183829_100000754431 [0,1,0,0,0,0|0,0,2]=3 2797 B17R2.2708 C=CCCOc1ccc2ccccc2c1Br 7a_100000183829_100000754431 [0,1,0,0,0,0|0,0,2]=3 2798 B17R2.2708 C=CCCOc1ccc2ccccc2c1C 34a_100009830054_100000754431 [0,1,0,0,0,0|0,0,2]=3 2799 B17R2.2708 C=CCCOc1ccc2ccccc2c1C 7a_100009830054_100000754431 [0,1,0,0,0,0|0,0,2]=3 2800 B17R2.2708 C=CCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000754431 [0,1,0,0,0,0|0,0,2]=3 2801 B17R2.2708 C=CCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000754431 [0,1,0,0,0,0|0,0,2]=3 2802 B17R2.2708 C=CCCOc1ccc2ccccc2c1I 34a_100000041551_100000754431 [0,1,0,0,0,0|0,0,2]=3 2803 B17R2.2708 C=CCCOc1ccc2ccccc2c1I 7a_100000041551_100000754431 [0,1,0,0,0,0|0,0,2]=3 2804 B17R2.2708 C=CCCOc1ccc2ccccc2c1N 34a_100000007056_100000754431 [0,1,0,0,0,0|0,0,2]=3 2805 B17R2.2708 C=CCCOc1ccc2ccccc2c1N 7a_100000007056_100000754431 [0,1,0,0,0,0|0,0,2]=3 2806 B17R2.2708 C=CCCOc1ccc2cccnc2c1Br 34a_100010173343_100000754431 [0,1,0,0,0,0|1,0,2]=4 2807 B17R2.2708 C=CCCOc1ccc2cccnc2c1Br 7a_100010173343_100000754431 [0,1,0,0,0,0|1,0,2]=4 2808 B17R2.2708 C=CCCOc1ccc2ccncc2c1Br 34a_200010115057_100000754431 [0,1,0,0,0,0|1,0,2]=4 2809 B17R2.2708 C=CCCOc1ccc2ccncc2c1Br 7a_200010115057_100000754431 [0,1,0,0,0,0|1,0,2]=4 2810 B17R2.2708 C=CCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000754431 [0,1,0,0,0,0|1,0,2]=4 2811 B17R2.2708 C=CCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000754431 [0,1,0,0,0,0|1,0,2]=4 2812 B17R2.2708 C=CCCSc1ccc2ccccc2c1C 62a_100000754431_100010221197 [0,1,0,0,0,0|0,1,2]=4 2813 B17R2.2708 C=CCCSc1ccc2ccccc2c1C 62a_100010221197_100000754431 [0,1,0,0,0,0|0,1,2]=4 2814 B17R2.2708 C=CCCSc1ccc2ccccc2c1F 62a_100000754431_100009832041 [0,1,0,0,0,0|0,1,2]=4 2815 B17R2.2708 C=CCCSc1ccc2ccccc2c1F 62a_100009832041_100000754431 [0,1,0,0,0,0|0,1,2]=4 2816 B17R2.2708 C=CCCSc1ccc2ccccc2c1N 62a_100009817101_100000754431 [0,1,0,0,0,0|0,1,2]=4 2817 B17R2.2708 C=CCCSc1ccc2ccccc2c1O 62a_100000754431_100009996032 [0,1,0,0,0,0|0,1,2]=4 2818 B17R2.2708 CC#CCNc1ccc2ccccc2c1Br 34a_100000705303_100000748600 [0,1,0,0,0,0|1,0,2]=4 2819 B17R2.2708 CC#CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000748600 [0,1,0,0,0,0|1,0,2]=4 2820 B17R2.2708 CC#CCNc1ccc2ccccc2c1O 34a_100000007060_100000748600 [0,1,0,0,0,0|1,0,2]=4 2821 B17R2.2708 CC#CCOc1ccc2ccccc2c1Br 34a_100000183829_100000748600 [0,1,0,0,0,0|0,0,2]=3 2822 B17R2.2708 CC#CCOc1ccc2ccccc2c1Br 7a_100000183829_100000748600 [0,1,0,0,0,0|0,0,2]=3 2823 B17R2.2708 CC#CCOc1ccc2ccccc2c1C 34a_100009830054_100000748600 [0,1,0,0,0,0|0,0,2]=3 2824 B17R2.2708 CC#CCOc1ccc2ccccc2c1C 7a_100009830054_100000748600 [0,1,0,0,0,0|0,0,2]=3 2825 B17R2.2708 CC#CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000748600 [0,1,0,0,0,0|0,0,2]=3 2826 B17R2.2708 CC#CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000748600 [0,1,0,0,0,0|0,0,2]=3 2827 B17R2.2708 CC#CCOc1ccc2ccccc2c1I 34a_100000041551_100000748600 [0,1,0,0,0,0|0,0,2]=3 2828 B17R2.2708 CC#CCOc1ccc2ccccc2c1I 7a_100000041551_100000748600 [0,1,0,0,0,0|0,0,2]=3 2829 B17R2.2708 CC#CCOc1ccc2ccccc2c1N 34a_100000007056_100000748600 [0,1,0,0,0,0|0,0,2]=3 2830 B17R2.2708 CC#CCOc1ccc2ccccc2c1N 7a_100000007056_100000748600 [0,1,0,0,0,0|0,0,2]=3 2831 B17R2.2708 CC#CCOc1ccc2cccnc2c1Br 34a_100010173343_100000748600 [0,1,0,0,0,0|1,0,2]=4 2832 B17R2.2708 CC#CCOc1ccc2cccnc2c1Br 7a_100010173343_100000748600 [0,1,0,0,0,0|1,0,2]=4 2833 B17R2.2708 CC#CCOc1ccc2ccncc2c1Br 34a_200010115057_100000748600 [0,1,0,0,0,0|1,0,2]=4 2834 B17R2.2708 CC#CCOc1ccc2ccncc2c1Br 7a_200010115057_100000748600 [0,1,0,0,0,0|1,0,2]=4 2835 B17R2.2708 CC#CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000748600 [0,1,0,0,0,0|1,0,2]=4 2836 B17R2.2708 CC#CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000748600 [0,1,0,0,0,0|1,0,2]=4 2837 B17R2.2708 CC#CCSc1ccc2ccccc2c1Br 62a_100000748600_200010089984 [0,1,0,0,0,0|0,1,2]=4 2838 B17R2.2708 CC#CCSc1ccc2ccccc2c1Br 62a_200010089984_100000748600 [0,1,0,0,0,0|0,1,2]=4 2839 B17R2.2708 CC#CCSc1ccc2ccccc2c1C 62a_100000748600_100010221197 [0,1,0,0,0,0|0,1,2]=4 2840 B17R2.2708 CC#CCSc1ccc2ccccc2c1C 62a_100010221197_100000748600 [0,1,0,0,0,0|0,1,2]=4 2841 B17R2.2708 CC#CCSc1ccc2ccccc2c1F 62a_100000748600_100009832041 [0,1,0,0,0,0|0,1,2]=4 2842 B17R2.2708 CC#CCSc1ccc2ccccc2c1F 62a_100009832041_100000748600 [0,1,0,0,0,0|0,1,2]=4 2843 B17R2.2708 CC#CCSc1ccc2ccccc2c1N 62a_100009817101_100000748600 [0,1,0,0,0,0|0,1,2]=4 2844 B17R2.2708 CC#CCSc1ccc2ccccc2c1O 62a_100000748600_100009996032 [0,1,0,0,0,0|0,1,2]=4 2845 B17R2.2708 CC=CCNc1ccc2ccccc2c1Br 34a_100000705303_100000070051 [0,1,0,0,0,0|1,0,2]=4 2846 B17R2.2708 CC=CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000070051 [0,1,0,0,0,0|1,0,2]=4 2847 B17R2.2708 CC=CCNc1ccc2ccccc2c1O 34a_100000007060_100000070051 [0,1,0,0,0,0|1,0,2]=4 2848 B17R2.2708 CC=CCOc1ccc2ccccc2c1Br 34a_100000183829_100000070051 [0,1,0,0,0,0|0,0,2]=3 2849 B17R2.2708 CC=CCOc1ccc2ccccc2c1Br 7a_100000183829_100000070051 [0,1,0,0,0,0|0,0,2]=3 2850 B17R2.2708 CC=CCOc1ccc2ccccc2c1C 34a_100009830054_100000070051 [0,1,0,0,0,0|0,0,2]=3 2851 B17R2.2708 CC=CCOc1ccc2ccccc2c1C 7a_100009830054_100000070051 [0,1,0,0,0,0|0,0,2]=3 2852 B17R2.2708 CC=CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000070051 [0,1,0,0,0,0|0,0,2]=3 2853 B17R2.2708 CC=CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000070051 [0,1,0,0,0,0|0,0,2]=3 2854 B17R2.2708 CC=CCOc1ccc2ccccc2c1I 34a_100000041551_100000070051 [0,1,0,0,0,0|0,0,2]=3 2855 B17R2.2708 CC=CCOc1ccc2ccccc2c1I 7a_100000041551_100000070051 [0,1,0,0,0,0|0,0,2]=3 2856 B17R2.2708 CC=CCOc1ccc2ccccc2c1N 34a_100000007056_100000070051 [0,1,0,0,0,0|0,0,2]=3 2857 B17R2.2708 CC=CCOc1ccc2ccccc2c1N 7a_100000007056_100000070051 [0,1,0,0,0,0|0,0,2]=3 2858 B17R2.2708 CC=CCOc1ccc2cccnc2c1Br 34a_100010173343_100000070051 [0,1,0,0,0,0|1,0,2]=4 2859 B17R2.2708 CC=CCOc1ccc2cccnc2c1Br 7a_100010173343_100000070051 [0,1,0,0,0,0|1,0,2]=4 2860 B17R2.2708 CC=CCOc1ccc2ccncc2c1Br 34a_200010115057_100000070051 [0,1,0,0,0,0|1,0,2]=4 2861 B17R2.2708 CC=CCOc1ccc2ccncc2c1Br 7a_200010115057_100000070051 [0,1,0,0,0,0|1,0,2]=4 2862 B17R2.2708 CC=CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000070051 [0,1,0,0,0,0|1,0,2]=4 2863 B17R2.2708 CC=CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000070051 [0,1,0,0,0,0|1,0,2]=4 2864 B17R2.2708 CC=CCSc1ccc2ccccc2c1C 62a_100000070051_100010221197 [0,1,0,0,0,0|0,1,2]=4 2865 B17R2.2708 CC=CCSc1ccc2ccccc2c1C 62a_100010221197_100000070051 [0,1,0,0,0,0|0,1,2]=4 2866 B17R2.2708 CC=CCSc1ccc2ccccc2c1F 62a_100000070051_100009832041 [0,1,0,0,0,0|0,1,2]=4 2867 B17R2.2708 CC=CCSc1ccc2ccccc2c1F 62a_100009832041_100000070051 [0,1,0,0,0,0|0,1,2]=4 2868 B17R2.2708 CC=CCSc1ccc2ccccc2c1N 62a_100009817101_100000070051 [0,1,0,0,0,0|0,1,2]=4 2869 B17R2.2708 CC=CCSc1ccc2ccccc2c1O 62a_100000070051_100009996032 [0,1,0,0,0,0|0,1,2]=4 2870 B17R2.2708 CCCC=Cc1c[nH]c2ccccc2c1=O 271570a_100016258520_100012339567 [0,1,0,0,0,0|2,0,1]=4 2871 B17R2.2708 CCCC=Cc1ccc2ccccc2c1C 271570a_100016258520_100010221197 [0,1,0,0,0,0|1,0,1]=3 2872 B17R2.2708 CCCC=Cc1ccc2ccccc2c1F 271570a_100016258520_100009832041 [0,1,0,0,0,0|1,0,1]=3 2873 B17R2.2708 CCCC=Cc1ccc2ccccc2c1N 271570a_100016258520_100009817101 [0,1,0,0,0,0|1,0,1]=3 2874 B17R2.2708 CCCC=Cc1ccc2ccccc2c1O 271570a_100016258520_100009996032 [0,1,0,0,0,0|1,0,1]=3 2875 B17R2.2708 CCCC=Cc1ccc2cccnc2c1C 271570a_100016258520_100010214467 [0,1,0,0,0,0|2,0,1]=4 2876 B17R2.2708 CCCC=Cc1ccc2cccnc2c1F 271570a_100016258520_100010751467 [0,1,0,0,0,0|2,0,1]=4 2877 B17R2.2708 CCCC=Cc1ccc2cccnc2c1O 271570a_100016258520_100009816563 [0,1,0,0,0,0|2,0,1]=4 2878 B17R2.2708 CCCC=Cc1ccc2cnccc2c1N 271570a_100016258520_100010191621 [0,1,0,0,0,0|2,0,1]=4 2879 B17R2.2708 CCCC=Cc1ccc2ncccc2c1C 271570a_100016258520_200010137439 [0,1,0,0,0,0|2,0,1]=4 2880 B17R2.2708 CCCC=Cc1ccc2ncccc2c1N 271570a_100016258520_200010235790 [0,1,0,0,0,0|2,0,1]=4 2881 B17R2.2708 CCCC=Cc1cnc2ccccc2c1Cl 271570a_100016258520_100012352519 [0,1,0,0,0,0|2,0,1]=4 2882 B17R2.2708 CCCC=Cc1cnc2ccccc2c1N 271570a_100016258520_100009995562 [0,1,0,0,0,0|2,0,1]=4 2883 B17R2.2708 CCCC=Cc1coc2ccccc2c1=O 271570a_100016258520_100009813851 [0,1,0,0,0,0|2,0,1]=4 2884 B17R2.2708 CCCC=Cc1ncc2ccccc2c1N 271570a_100016258520_100000087573 [0,1,0,0,0,0|2,0,1]=4 2885 B17R2.2708 CCCCNc1ccc2ccccc2c1Br 34a_100000705303_100000210210 [0,1,0,0,0,0|1,0,0]=2 2886 B17R2.2708 CCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210210 [0,1,0,0,0,0|1,0,0]=2 2887 B17R2.2708 CCCCNc1ccc2ccccc2c1O 34a_100000007060_100000210210 [0,1,0,0,0,0|1,0,0]=2 2888 B17R2.2708 CCCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000210210 [0,1,0,0,0,0|2,0,0]=3 2889 B17R2.2708 CCCCNc1ccc2ncccc2c1Br 34a_200009995563_100000210210 [0,1,0,0,0,0|2,0,0]=3 2890 B17R2.2708 CCCCNc1ccc2nccnc2c1C 27a_100000102301_100135414757 [0,1,0,0,0,0|3,0,0]=4 2891 B17R2.2708 CCCCOC1CCc2ccccc2C1=O 34a_100000210227_100000229917 [0,1,0,0,0,0|0,0,3]=4 2892 B17R2.2708 CCCCOc1ccc2ccccc2c1Br 34a_100000183829_100000210210 [0,1,0,0,0,0|0,0,0]=1 2893 B17R2.2708 CCCCOc1ccc2ccccc2c1Br 7a_100000183829_100000210211 [0,1,0,0,0,0|0,0,0]=1 2894 B17R2.2708 CCCCOc1ccc2ccccc2c1C 34a_100009830054_100000210210 [0,1,0,0,0,0|0,0,0]=1 2895 B17R2.2708 CCCCOc1ccc2ccccc2c1C 7a_100009830054_100000210211 [0,1,0,0,0,0|0,0,0]=1 2896 B17R2.2708 CCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210210 [0,1,0,0,0,0|0,0,0]=1 2897 B17R2.2708 CCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210211 [0,1,0,0,0,0|0,0,0]=1 2898 B17R2.2708 CCCCOc1ccc2ccccc2c1I 34a_100000041551_100000210210 [0,1,0,0,0,0|0,0,0]=1 2899 B17R2.2708 CCCCOc1ccc2ccccc2c1I 7a_100000041551_100000210211 [0,1,0,0,0,0|0,0,0]=1 2900 B17R2.2708 CCCCOc1ccc2ccccc2c1N 34a_100000007056_100000210210 [0,1,0,0,0,0|0,0,0]=1 2901 B17R2.2708 CCCCOc1ccc2ccccc2c1N 7a_100000007056_100000210211 [0,1,0,0,0,0|0,0,0]=1 2902 B17R2.2708 CCCCOc1ccc2cccnc2c1Br 34a_100010173343_100000210210 [0,1,0,0,0,0|1,0,0]=2 2903 B17R2.2708 CCCCOc1ccc2cccnc2c1Br 7a_100010173343_100000210211 [0,1,0,0,0,0|1,0,0]=2 2904 B17R2.2708 CCCCOc1ccc2ccncc2c1Br 34a_200010115057_100000210210 [0,1,0,0,0,0|1,0,0]=2 2905 B17R2.2708 CCCCOc1ccc2ccncc2c1Br 7a_200010115057_100000210211 [0,1,0,0,0,0|1,0,0]=2 2906 B17R2.2708 CCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210210 [0,1,0,0,0,0|1,0,0]=2 2907 B17R2.2708 CCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210211 [0,1,0,0,0,0|1,0,0]=2 2908 B17R2.2708 CCCCSc1c[nH]c2ccccc2c1=O 62a_100000210211_100012348052 [0,1,0,0,0,0|1,1,0]=3 2909 B17R2.2708 CCCCSc1ccc2ccccc2c1F 62a_100000210211_100009832041 [0,1,0,0,0,0|0,1,0]=2 2910 B17R2.2708 CCCCSc1ccc2ccccc2c1F 62a_100009832041_100000210210 [0,1,0,0,0,0|0,1,0]=2 2911 B17R2.2708 CCCCSc1ccc2ccccc2c1N 62a_100009817101_100000210210 [0,1,0,0,0,0|0,1,0]=2 2912 B17R2.2708 CCCCSc1ccc2ccccc2c1O 62a_100000210211_100009996032 [0,1,0,0,0,0|0,1,0]=2 2913 B17R2.2708 CCCCSc1ccc2cccnc2c1C 62a_100000210211_100010214467 [0,1,0,0,0,0|1,1,0]=3 2914 B17R2.2708 CCCCSc1ccc2cccnc2c1F 62a_100000210211_100010751467 [0,1,0,0,0,0|1,1,0]=3 2915 B17R2.2708 CCCCSc1ccc2cccnc2c1F 62a_100010751467_100000210210 [0,1,0,0,0,0|1,1,0]=3 2916 B17R2.2708 CCCCSc1ccc2cccnc2c1O 62a_100000210211_100009816563 [0,1,0,0,0,0|1,1,0]=3 2917 B17R2.2708 CCCCSc1ccc2cnccc2c1N 62a_100000210211_100010191621 [0,1,0,0,0,0|1,1,0]=3 2918 B17R2.2708 CCCCSc1ccc2cnccc2c1N 62a_100010191621_100000210210 [0,1,0,0,0,0|1,1,0]=3 2919 B17R2.2708 CCCCSc1ccc2ncccc2c1C 62a_100000210211_200010137439 [0,1,0,0,0,0|1,1,0]=3 2920 B17R2.2708 CCCCSc1ccc2ncccc2c1C 62a_200010137439_100000210210 [0,1,0,0,0,0|1,1,0]=3 2921 B17R2.2708 CCCCSc1ccc2ncccc2c1N 62a_200010235790_100000210210 [0,1,0,0,0,0|1,1,0]=3 2922 B17R2.2708 CCCCSc1ccc2nccnc2c1C 62a_100000210211_100135414757 [0,1,0,0,0,0|2,1,0]=4 2923 B17R2.2708 CCCCSc1ccc2nccnc2c1C 62a_100135414757_100000210210 [0,1,0,0,0,0|2,1,0]=4 2924 B17R2.2708 CCCCSc1cnc2ccccc2c1Cl 62a_100000210211_100012352519 [0,1,0,0,0,0|1,1,0]=3 2925 B17R2.2708 CCCCSc1cnc2ccccc2c1N 62a_100000210211_100009995562 [0,1,0,0,0,0|1,1,0]=3 2926 B17R2.2708 CCCCSc1cnc2ccccc2c1N 62a_100009995562_100000210210 [0,1,0,0,0,0|1,1,0]=3 2927 B17R2.2708 CCCCSc1coc2ccccc2c1=O 62a_100000210211_100009813851 [0,1,0,0,0,0|1,1,0]=3 2928 B17R2.2708 CCCCSc1ncc2ccccc2c1N 62a_100000210211_100000087573 [0,1,0,0,0,0|1,1,0]=3 2929 B17R2.2708 CCCCSc1ncc2ccccc2c1N 62a_100009995564_100000210210 [0,1,0,0,0,0|1,1,0]=3 2930 B17R2.2708 CCCCSc1nnc2ccccc2c1O 62a_100000210211_100000688347 [0,1,0,0,0,0|2,1,0]=4 2931 B17R2.2708 CCCNCc1ccc2ccccc2c1Br 207a_100020643023_100009813496 [0,1,0,0,0,0|2,0,0]=3 2932 B17R2.2708 CCCNCc1ccc2ccccc2c1Br 270004a_100020643023_100009813496 [0,1,0,0,0,0|2,0,0]=3 2933 B17R2.2708 CCCNCc1cnc2ccccc2c1Cl 270004a_100020643023_100000037458 [0,1,0,0,0,0|3,0,0]=4 2934 B17R2.2708 CCCNCc1coc2ccccc2c1=O 270004a_100020643023_100000195500 [0,1,0,0,0,0|3,0,0]=4 2935 B17R2.2708 CCCOCc1ccc2ccccc2c1Br 34a_100000210258_100009813938 [0,1,0,0,0,0|2,0,0]=3 2936 B17R2.2708 CCNN=Cc1ccc2ccccc2c1Br 4a_100000756455_100009813496 [0,1,0,0,0,0|3,0,0]=4 2937 B17R2.2708 CCNN=Cc1ccc2ccccc2c1O 4a_100000756455_100000724927 [0,1,0,0,0,0|3,0,0]=4 2938 B17R2.2708 CCOC=Cc1ccc2ccccc2c1Br 271570a_100016256518_200010089984 [0,1,0,0,0,0|2,0,1]=4 2939 B17R2.2708 CCOC=Cc1ccc2ccccc2c1C 271570a_100016256518_100010221197 [0,1,0,0,0,0|2,0,1]=4 2940 B17R2.2708 CCOC=Cc1ccc2ccccc2c1F 271570a_100016256518_100009832041 [0,1,0,0,0,0|2,0,1]=4 2941 B17R2.2708 CCOC=Cc1ccc2ccccc2c1N 271570a_100016256518_100009817101 [0,1,0,0,0,0|2,0,1]=4 2942 B17R2.2708 CCOC=Cc1ccc2ccccc2c1O 271570a_100016256518_100009996032 [0,1,0,0,0,0|2,0,1]=4 2943 B17R2.2708 CCOCSc1c[nH]c2ccccc2c1=O 62a_100000739092_100012348052 [0,1,0,0,0,0|2,1,0]=4 2944 B17R2.2708 CCOCSc1ccc2ccccc2c1Br 62a_100000739092_200010089984 [0,1,0,0,0,0|1,1,0]=3 2945 B17R2.2708 CCOCSc1ccc2ccccc2c1Br 62a_200010089984_100000739092 [0,1,0,0,0,0|1,1,0]=3 2946 B17R2.2708 CCOCSc1ccc2ccccc2c1C 62a_100000739092_100010221197 [0,1,0,0,0,0|1,1,0]=3 2947 B17R2.2708 CCOCSc1ccc2ccccc2c1C 62a_100010221197_100000739092 [0,1,0,0,0,0|1,1,0]=3 2948 B17R2.2708 CCOCSc1ccc2ccccc2c1F 62a_100000739092_100009832041 [0,1,0,0,0,0|1,1,0]=3 2949 B17R2.2708 CCOCSc1ccc2ccccc2c1F 62a_100009832041_100000739092 [0,1,0,0,0,0|1,1,0]=3 2950 B17R2.2708 CCOCSc1ccc2ccccc2c1N 62a_100009817101_100000739092 [0,1,0,0,0,0|1,1,0]=3 2951 B17R2.2708 CCOCSc1ccc2ccccc2c1O 62a_100000739092_100009996032 [0,1,0,0,0,0|1,1,0]=3 2952 B17R2.2708 CCOCSc1ccc2cccnc2c1C 62a_100000739092_100010214467 [0,1,0,0,0,0|2,1,0]=4 2953 B17R2.2708 CCOCSc1ccc2cccnc2c1F 62a_100000739092_100010751467 [0,1,0,0,0,0|2,1,0]=4 2954 B17R2.2708 CCOCSc1ccc2cccnc2c1F 62a_100010751467_100000739092 [0,1,0,0,0,0|2,1,0]=4 2955 B17R2.2708 CCOCSc1ccc2cccnc2c1O 62a_100000739092_100009816563 [0,1,0,0,0,0|2,1,0]=4 2956 B17R2.2708 CCOCSc1ccc2cnccc2c1N 62a_100000739092_100010191621 [0,1,0,0,0,0|2,1,0]=4 2957 B17R2.2708 CCOCSc1ccc2cnccc2c1N 62a_100010191621_100000739092 [0,1,0,0,0,0|2,1,0]=4 2958 B17R2.2708 CCOCSc1ccc2ncccc2c1C 62a_100000739092_200010137439 [0,1,0,0,0,0|2,1,0]=4 2959 B17R2.2708 CCOCSc1ccc2ncccc2c1C 62a_200010137439_100000739092 [0,1,0,0,0,0|2,1,0]=4 2960 B17R2.2708 CCOCSc1ccc2ncccc2c1N 62a_200010235790_100000739092 [0,1,0,0,0,0|2,1,0]=4 2961 B17R2.2708 CCOCSc1cnc2ccccc2c1Cl 62a_100000739092_100012352519 [0,1,0,0,0,0|2,1,0]=4 2962 B17R2.2708 CCOCSc1cnc2ccccc2c1N 62a_100000739092_100009995562 [0,1,0,0,0,0|2,1,0]=4 2963 B17R2.2708 CCOCSc1cnc2ccccc2c1N 62a_100009995562_100000739092 [0,1,0,0,0,0|2,1,0]=4 2964 B17R2.2708 CCOCSc1coc2ccccc2c1=O 62a_100000739092_100009813851 [0,1,0,0,0,0|2,1,0]=4 2965 B17R2.2708 CCOCSc1ncc2ccccc2c1N 62a_100000739092_100000087573 [0,1,0,0,0,0|2,1,0]=4 2966 B17R2.2708 CCOCSc1ncc2ccccc2c1N 62a_100009995564_100000739092 [0,1,0,0,0,0|2,1,0]=4 2967 B17R2.2708 COCC=Cc1ccc2ccccc2c1Br 271570a_100016286323_200010089984 [0,1,0,0,0,0|2,0,1]=4 2968 B17R2.2708 COCC=Cc1ccc2ccccc2c1C 271570a_100016286323_100010221197 [0,1,0,0,0,0|2,0,1]=4 2969 B17R2.2708 COCC=Cc1ccc2ccccc2c1F 271570a_100016286323_100009832041 [0,1,0,0,0,0|2,0,1]=4 2970 B17R2.2708 COCC=Cc1ccc2ccccc2c1N 271570a_100016286323_100009817101 [0,1,0,0,0,0|2,0,1]=4 2971 B17R2.2708 COCC=Cc1ccc2ccccc2c1O 271570a_100016286323_100009996032 [0,1,0,0,0,0|2,0,1]=4 2972 B17R2.2708 COCCNc1ccc2ccccc2c1Br 34a_100000705303_100011201679 [0,1,0,0,0,0|2,0,0]=3 2973 B17R2.2708 COCCNc1ccc2ccccc2c1Cl 34a_100000075557_100011201679 [0,1,0,0,0,0|2,0,0]=3 2974 B17R2.2708 COCCNc1ccc2ccccc2c1O 34a_100000007060_100011201679 [0,1,0,0,0,0|2,0,0]=3 2975 B17R2.2708 COCCNc1ccc2cnccc2c1Cl 34a_100009851981_100011201679 [0,1,0,0,0,0|3,0,0]=4 2976 B17R2.2708 COCCNc1ccc2ncccc2c1Br 34a_200009995563_100011201679 [0,1,0,0,0,0|3,0,0]=4 2977 B17R2.2708 COCCOc1ccc2ccccc2c1Br 34a_100000183829_100011201679 [0,1,0,0,0,0|1,0,0]=2 2978 B17R2.2708 COCCOc1ccc2ccccc2c1Br 7a_100000183829_100000233755 [0,1,0,0,0,0|1,0,0]=2 2979 B17R2.2708 COCCOc1ccc2ccccc2c1C 34a_100009830054_100011201679 [0,1,0,0,0,0|1,0,0]=2 2980 B17R2.2708 COCCOc1ccc2ccccc2c1C 7a_100009830054_100000233755 [0,1,0,0,0,0|1,0,0]=2 2981 B17R2.2708 COCCOc1ccc2ccccc2c1Cl 34a_100000029778_100011201679 [0,1,0,0,0,0|1,0,0]=2 2982 B17R2.2708 COCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000233755 [0,1,0,0,0,0|1,0,0]=2 2983 B17R2.2708 COCCOc1ccc2ccccc2c1I 34a_100000041551_100011201679 [0,1,0,0,0,0|1,0,0]=2 2984 B17R2.2708 COCCOc1ccc2ccccc2c1I 7a_100000041551_100000233755 [0,1,0,0,0,0|1,0,0]=2 2985 B17R2.2708 COCCOc1ccc2ccccc2c1N 34a_100000007056_100011201679 [0,1,0,0,0,0|1,0,0]=2 2986 B17R2.2708 COCCOc1ccc2ccccc2c1N 7a_100000007056_100000233755 [0,1,0,0,0,0|1,0,0]=2 2987 B17R2.2708 COCCOc1ccc2cccnc2c1Br 34a_100010173343_100011201679 [0,1,0,0,0,0|2,0,0]=3 2988 B17R2.2708 COCCOc1ccc2cccnc2c1Br 7a_100010173343_100000233755 [0,1,0,0,0,0|2,0,0]=3 2989 B17R2.2708 COCCOc1ccc2ccncc2c1Br 34a_200010115057_100011201679 [0,1,0,0,0,0|2,0,0]=3 2990 B17R2.2708 COCCOc1ccc2ccncc2c1Br 7a_200010115057_100000233755 [0,1,0,0,0,0|2,0,0]=3 2991 B17R2.2708 COCCOc1ccc2cnccc2c1Cl 34a_100009824633_100011201679 [0,1,0,0,0,0|2,0,0]=3 2992 B17R2.2708 COCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000233755 [0,1,0,0,0,0|2,0,0]=3 2993 B17R2.2708 COCCSc1c[nH]c2ccccc2c1=O 62a_100000233755_100012348052 [0,1,0,0,0,0|2,1,0]=4 2994 B17R2.2708 COCCSc1ccc2ccccc2c1Br 62a_100000233755_200010089984 [0,1,0,0,0,0|1,1,0]=3 2995 B17R2.2708 COCCSc1ccc2ccccc2c1Br 62a_200010089984_100000233755 [0,1,0,0,0,0|1,1,0]=3 2996 B17R2.2708 COCCSc1ccc2ccccc2c1C 62a_100000233755_100010221197 [0,1,0,0,0,0|1,1,0]=3 2997 B17R2.2708 COCCSc1ccc2ccccc2c1C 62a_100010221197_100000233755 [0,1,0,0,0,0|1,1,0]=3 2998 B17R2.2708 COCCSc1ccc2ccccc2c1F 62a_100000233755_100009832041 [0,1,0,0,0,0|1,1,0]=3 2999 B17R2.2708 COCCSc1ccc2ccccc2c1F 62a_100009832041_100000233755 [0,1,0,0,0,0|1,1,0]=3 3000 B17R2.2708 COCCSc1ccc2ccccc2c1N 62a_100009817101_100000233755 [0,1,0,0,0,0|1,1,0]=3 3001 B17R2.2708 COCCSc1ccc2ccccc2c1O 62a_100000233755_100009996032 [0,1,0,0,0,0|1,1,0]=3 3002 B17R2.2708 COCCSc1ccc2cccnc2c1C 62a_100000233755_100010214467 [0,1,0,0,0,0|2,1,0]=4 3003 B17R2.2708 COCCSc1ccc2cccnc2c1F 62a_100000233755_100010751467 [0,1,0,0,0,0|2,1,0]=4 3004 B17R2.2708 COCCSc1ccc2cccnc2c1F 62a_100010751467_100000233755 [0,1,0,0,0,0|2,1,0]=4 3005 B17R2.2708 COCCSc1ccc2cccnc2c1O 62a_100000233755_100009816563 [0,1,0,0,0,0|2,1,0]=4 3006 B17R2.2708 COCCSc1ccc2cnccc2c1N 62a_100000233755_100010191621 [0,1,0,0,0,0|2,1,0]=4 3007 B17R2.2708 COCCSc1ccc2cnccc2c1N 62a_100010191621_100000233755 [0,1,0,0,0,0|2,1,0]=4 3008 B17R2.2708 COCCSc1ccc2ncccc2c1C 62a_100000233755_200010137439 [0,1,0,0,0,0|2,1,0]=4 3009 B17R2.2708 COCCSc1ccc2ncccc2c1C 62a_200010137439_100000233755 [0,1,0,0,0,0|2,1,0]=4 3010 B17R2.2708 COCCSc1ccc2ncccc2c1N 62a_200010235790_100000233755 [0,1,0,0,0,0|2,1,0]=4 3011 B17R2.2708 COCCSc1cnc2ccccc2c1Cl 62a_100000233755_100012352519 [0,1,0,0,0,0|2,1,0]=4 3012 B17R2.2708 COCCSc1cnc2ccccc2c1N 62a_100000233755_100009995562 [0,1,0,0,0,0|2,1,0]=4 3013 B17R2.2708 COCCSc1cnc2ccccc2c1N 62a_100009995562_100000233755 [0,1,0,0,0,0|2,1,0]=4 3014 B17R2.2708 COCCSc1coc2ccccc2c1=O 62a_100000233755_100009813851 [0,1,0,0,0,0|2,1,0]=4 3015 B17R2.2708 COCCSc1ncc2ccccc2c1N 62a_100000233755_100000087573 [0,1,0,0,0,0|2,1,0]=4 3016 B17R2.2708 COCCSc1ncc2ccccc2c1N 62a_100009995564_100000233755 [0,1,0,0,0,0|2,1,0]=4 3017 B17R2.2708 COCSCc1ccc2ccccc2c1Br 62a_100000766300_100009813938 [0,1,0,0,0,0|3,0,0]=4 3018 B17R2.2708 COCSCc1ccc2ccccc2c1Br 62a_100009813938_100000766300 [0,1,0,0,0,0|3,0,0]=4 3019 B17R2.2708 CSCCNc1ccc2ccccc2c1Br 34a_100000705303_100000212216 [0,1,0,0,0,0|2,0,0]=3 3020 B17R2.2708 CSCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000212216 [0,1,0,0,0,0|2,0,0]=3 3021 B17R2.2708 CSCCNc1ccc2ccccc2c1O 34a_100000007060_100000212216 [0,1,0,0,0,0|2,0,0]=3 3022 B17R2.2708 CSCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000212216 [0,1,0,0,0,0|3,0,0]=4 3023 B17R2.2708 CSCCNc1ccc2ncccc2c1Br 34a_200009995563_100000212216 [0,1,0,0,0,0|3,0,0]=4 3024 B17R2.2708 CSCCOc1ccc2ccccc2c1Br 34a_100000183829_100000212216 [0,1,0,0,0,0|1,0,0]=2 3025 B17R2.2708 CSCCOc1ccc2ccccc2c1Br 7a_100000183829_100000212216 [0,1,0,0,0,0|1,0,0]=2 3026 B17R2.2708 CSCCOc1ccc2ccccc2c1C 34a_100009830054_100000212216 [0,1,0,0,0,0|1,0,0]=2 3027 B17R2.2708 CSCCOc1ccc2ccccc2c1C 7a_100009830054_100000212216 [0,1,0,0,0,0|1,0,0]=2 3028 B17R2.2708 CSCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000212216 [0,1,0,0,0,0|1,0,0]=2 3029 B17R2.2708 CSCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000212216 [0,1,0,0,0,0|1,0,0]=2 3030 B17R2.2708 CSCCOc1ccc2ccccc2c1I 34a_100000041551_100000212216 [0,1,0,0,0,0|1,0,0]=2 3031 B17R2.2708 CSCCOc1ccc2ccccc2c1I 7a_100000041551_100000212216 [0,1,0,0,0,0|1,0,0]=2 3032 B17R2.2708 CSCCOc1ccc2ccccc2c1N 34a_100000007056_100000212216 [0,1,0,0,0,0|1,0,0]=2 3033 B17R2.2708 CSCCOc1ccc2ccccc2c1N 7a_100000007056_100000212216 [0,1,0,0,0,0|1,0,0]=2 3034 B17R2.2708 CSCCOc1ccc2cccnc2c1Br 34a_100010173343_100000212216 [0,1,0,0,0,0|2,0,0]=3 3035 B17R2.2708 CSCCOc1ccc2cccnc2c1Br 7a_100010173343_100000212216 [0,1,0,0,0,0|2,0,0]=3 3036 B17R2.2708 CSCCOc1ccc2ccncc2c1Br 34a_200010115057_100000212216 [0,1,0,0,0,0|2,0,0]=3 3037 B17R2.2708 CSCCOc1ccc2ccncc2c1Br 7a_200010115057_100000212216 [0,1,0,0,0,0|2,0,0]=3 3038 B17R2.2708 CSCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000212216 [0,1,0,0,0,0|2,0,0]=3 3039 B17R2.2708 CSCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000212216 [0,1,0,0,0,0|2,0,0]=3 3040 B17R2.2708 CSCCSc1c[nH]c2ccccc2c1=O 62a_100000212216_100012348052 [0,1,0,0,0,0|2,1,0]=4 3041 B17R2.2708 CSCCSc1ccc2ccccc2c1C 62a_100000212216_100010221197 [0,1,0,0,0,0|1,1,0]=3 3042 B17R2.2708 CSCCSc1ccc2ccccc2c1C 62a_100010221197_100000751147 [0,1,0,0,0,0|1,1,0]=3 3043 B17R2.2708 CSCCSc1ccc2ccccc2c1F 62a_100000212216_100009832041 [0,1,0,0,0,0|1,1,0]=3 3044 B17R2.2708 CSCCSc1ccc2ccccc2c1F 62a_100009832041_100000751147 [0,1,0,0,0,0|1,1,0]=3 3045 B17R2.2708 CSCCSc1ccc2ccccc2c1N 62a_100009817101_100000751147 [0,1,0,0,0,0|1,1,0]=3 3046 B17R2.2708 CSCCSc1ccc2ccccc2c1O 62a_100000212216_100009996032 [0,1,0,0,0,0|1,1,0]=3 3047 B17R2.2708 CSCCSc1ccc2cccnc2c1C 62a_100000212216_100010214467 [0,1,0,0,0,0|2,1,0]=4 3048 B17R2.2708 CSCCSc1ccc2cccnc2c1F 62a_100000212216_100010751467 [0,1,0,0,0,0|2,1,0]=4 3049 B17R2.2708 CSCCSc1ccc2cccnc2c1F 62a_100010751467_100000751147 [0,1,0,0,0,0|2,1,0]=4 3050 B17R2.2708 CSCCSc1ccc2cccnc2c1O 62a_100000212216_100009816563 [0,1,0,0,0,0|2,1,0]=4 3051 B17R2.2708 CSCCSc1ccc2cnccc2c1N 62a_100000212216_100010191621 [0,1,0,0,0,0|2,1,0]=4 3052 B17R2.2708 CSCCSc1ccc2cnccc2c1N 62a_100010191621_100000751147 [0,1,0,0,0,0|2,1,0]=4 3053 B17R2.2708 CSCCSc1ccc2ncccc2c1C 62a_100000212216_200010137439 [0,1,0,0,0,0|2,1,0]=4 3054 B17R2.2708 CSCCSc1ccc2ncccc2c1C 62a_200010137439_100000751147 [0,1,0,0,0,0|2,1,0]=4 3055 B17R2.2708 CSCCSc1ccc2ncccc2c1N 62a_200010235790_100000751147 [0,1,0,0,0,0|2,1,0]=4 3056 B17R2.2708 CSCCSc1cnc2ccccc2c1Cl 62a_100000212216_100012352519 [0,1,0,0,0,0|2,1,0]=4 3057 B17R2.2708 CSCCSc1cnc2ccccc2c1N 62a_100000212216_100009995562 [0,1,0,0,0,0|2,1,0]=4 3058 B17R2.2708 CSCCSc1cnc2ccccc2c1N 62a_100009995562_100000751147 [0,1,0,0,0,0|2,1,0]=4 3059 B17R2.2708 CSCCSc1coc2ccccc2c1=O 62a_100000212216_100009813851 [0,1,0,0,0,0|2,1,0]=4 3060 B17R2.2708 CSCCSc1ncc2ccccc2c1N 62a_100000212216_100000087573 [0,1,0,0,0,0|2,1,0]=4 3061 B17R2.2708 CSCCSc1ncc2ccccc2c1N 62a_100009995564_100000751147 [0,1,0,0,0,0|2,1,0]=4 3062 B17R2.2708 Cc1c(ccc2c1cccc2)OCCC#N 7a_100009830054_100000184422 [0,1,0,0,0,0|1,0,1]=3 3063 B17R2.2708 Cc1c(ccc2c1cccc2)OCCCF 34a_100009830054_100011934791 [0,1,0,0,0,0|1,0,0]=2 3064 B17R2.2708 Cc1c(ccc2c1cccc2)OCCCF 7a_100009830054_100011934791 [0,1,0,0,0,0|1,0,0]=2 3065 B17R2.2708 Cc1c(ccc2c1cccc2)OCCCO 34a_100009830054_100000230001 [0,1,0,0,0,0|1,0,0]=2 3066 B17R2.2708 Cc1c(ccc2c1cccc2)OCCCO 7a_100009830054_100011215043 [0,1,0,0,0,0|1,0,0]=2 3067 B17R2.2708 Cc1c(ccc2c1cccc2)SCCC#N 62a_100010221197_100011215226 [0,1,0,0,0,0|1,1,1]=4 3068 B17R2.2708 Cc1c(ccc2c1cccc2)SCCC#N 62a_100011215226_100010221197 [0,1,0,0,0,0|1,1,1]=4 3069 B17R2.2708 Cc1c(ccc2c1cccc2)SCCCF 62a_100010221197_100011934791 [0,1,0,0,0,0|1,1,0]=3 3070 B17R2.2708 Cc1c(ccc2c1cccc2)SCCCF 62a_100011934791_100010221197 [0,1,0,0,0,0|1,1,0]=3 3071 B17R2.2708 Cc1c(ccc2c1cccc2)SCCCO 62a_100010221197_100011215043 [0,1,0,0,0,0|1,1,0]=3 3072 B17R2.2708 Cc1c(ccc2c1cccc2)SCCCO 62a_100011215043_100010221197 [0,1,0,0,0,0|1,1,0]=3 3073 B17R2.2708 Cc1c(ccc2c1cccn2)SCCCF 62a_100011934791_200010137439 [0,1,0,0,0,0|2,1,0]=4 3074 B17R2.2708 Cc1c(ccc2c1cccn2)SCCCF 62a_200010137439_100011934791 [0,1,0,0,0,0|2,1,0]=4 3075 B17R2.2708 Cc1c(ccc2c1cccn2)SCCCO 62a_100011215043_200010137439 [0,1,0,0,0,0|2,1,0]=4 3076 B17R2.2708 Cc1c(ccc2c1cccn2)SCCCO 62a_200010137439_100011215043 [0,1,0,0,0,0|2,1,0]=4 3077 B17R2.2708 Cc1c(ccc2c1nccc2)SCCCF 62a_100011934791_100010214467 [0,1,0,0,0,0|2,1,0]=4 3078 B17R2.2708 Cc1c(ccc2c1nccc2)SCCCO 62a_100011215043_100010214467 [0,1,0,0,0,0|2,1,0]=4 3079 B17R2.2708 FCCCNc1ccc2ccccc2c1Br 34a_100000705303_100011934791 [0,1,0,0,0,0|2,0,0]=3 3080 B17R2.2708 FCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100011934791 [0,1,0,0,0,0|2,0,0]=3 3081 B17R2.2708 FCCCNc1ccc2cnccc2c1Cl 34a_100009851981_100011934791 [0,1,0,0,0,0|3,0,0]=4 3082 B17R2.2708 FCCCNc1ccc2ncccc2c1Br 34a_200009995563_100011934791 [0,1,0,0,0,0|3,0,0]=4 3083 B17R2.2708 FCCCOc1ccc2ccccc2c1Br 34a_100000183829_100011934791 [0,1,0,0,0,0|1,0,0]=2 3084 B17R2.2708 FCCCOc1ccc2ccccc2c1Br 7a_100000183829_100011934791 [0,1,0,0,0,0|1,0,0]=2 3085 B17R2.2708 FCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100011934791 [0,1,0,0,0,0|1,0,0]=2 3086 B17R2.2708 FCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100011934791 [0,1,0,0,0,0|1,0,0]=2 3087 B17R2.2708 FCCCOc1ccc2ccccc2c1I 34a_100000041551_100011934791 [0,1,0,0,0,0|1,0,0]=2 3088 B17R2.2708 FCCCOc1ccc2ccccc2c1I 7a_100000041551_100011934791 [0,1,0,0,0,0|1,0,0]=2 3089 B17R2.2708 FCCCOc1ccc2cccnc2c1Br 34a_100010173343_100011934791 [0,1,0,0,0,0|2,0,0]=3 3090 B17R2.2708 FCCCOc1ccc2cccnc2c1Br 7a_100010173343_100011934791 [0,1,0,0,0,0|2,0,0]=3 3091 B17R2.2708 FCCCOc1ccc2ccncc2c1Br 34a_200010115057_100011934791 [0,1,0,0,0,0|2,0,0]=3 3092 B17R2.2708 FCCCOc1ccc2ccncc2c1Br 7a_200010115057_100011934791 [0,1,0,0,0,0|2,0,0]=3 3093 B17R2.2708 FCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100011934791 [0,1,0,0,0,0|2,0,0]=3 3094 B17R2.2708 FCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100011934791 [0,1,0,0,0,0|2,0,0]=3 3095 B17R2.2708 FCCCSc1ccc2ccccc2c1F 62a_100009832041_100011934791 [0,1,0,0,0,0|1,1,0]=3 3096 B17R2.2708 FCCCSc1ccc2ccccc2c1F 62a_100011934791_100009832041 [0,1,0,0,0,0|1,1,0]=3 3097 B17R2.2708 FCCCSc1ccc2cccnc2c1F 62a_100010751467_100011934791 [0,1,0,0,0,0|2,1,0]=4 3098 B17R2.2708 FCCCSc1ccc2cccnc2c1F 62a_100011934791_100010751467 [0,1,0,0,0,0|2,1,0]=4 3099 B17R2.2708 FCCCSc1cnc2ccccc2c1Cl 62a_100011934791_100012352519 [0,1,0,0,0,0|2,1,0]=4 3100 B17R2.2708 FCCNCc1ccc2ccccc2c1Br 34a_100000724931_100009813938 [0,1,0,0,0,0|3,0,0]=4 3101 B17R2.2708 FCCSCc1ccc2ccccc2c1Br 62a_100009813938_100011217306 [0,1,0,0,0,0|3,0,0]=4 3102 B17R2.2708 FCCSCc1ccc2ccccc2c1Br 62a_100011217306_100009813938 [0,1,0,0,0,0|3,0,0]=4 3103 B17R2.2708 N#CCCOc1ccc2ccccc2c1Br 7a_100000183829_100000184422 [0,1,0,0,0,0|1,0,1]=3 3104 B17R2.2708 N#CCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000184422 [0,1,0,0,0,0|1,0,1]=3 3105 B17R2.2708 N#CCCOc1ccc2ccccc2c1I 7a_100000041551_100000184422 [0,1,0,0,0,0|1,0,1]=3 3106 B17R2.2708 N#CCCOc1ccc2ccccc2c1N 7a_100000007056_100000184422 [0,1,0,0,0,0|1,0,1]=3 3107 B17R2.2708 N#CCCOc1ccc2cccnc2c1Br 7a_100010173343_100000184422 [0,1,0,0,0,0|2,0,1]=4 3108 B17R2.2708 N#CCCOc1ccc2ccncc2c1Br 7a_200010115057_100000184422 [0,1,0,0,0,0|2,0,1]=4 3109 B17R2.2708 N#CCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000184422 [0,1,0,0,0,0|2,0,1]=4 3110 B17R2.2708 N#CCCSc1ccc2ccccc2c1Br 62a_100011215226_200010089984 [0,1,0,0,0,0|1,1,1]=4 3111 B17R2.2708 N#CCCSc1ccc2ccccc2c1Br 62a_200010089984_100011215226 [0,1,0,0,0,0|1,1,1]=4 3112 B17R2.2708 N#CCCSc1ccc2ccccc2c1F 62a_100009832041_100011215226 [0,1,0,0,0,0|1,1,1]=4 3113 B17R2.2708 N#CCCSc1ccc2ccccc2c1F 62a_100011215226_100009832041 [0,1,0,0,0,0|1,1,1]=4 3114 B17R2.2708 N#CCCSc1ccc2ccccc2c1N 62a_100009817101_100011215226 [0,1,0,0,0,0|1,1,1]=4 3115 B17R2.2708 N#CCCSc1ccc2ccccc2c1O 62a_100011215226_100009996032 [0,1,0,0,0,0|1,1,1]=4 3116 B17R2.2708 NCCOCc1ccc2ccccc2c1Br 34a_100000210304_100009813938 [0,1,0,0,0,0|3,0,0]=4 3117 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCF 34a_100000007056_100011934791 [0,1,0,0,0,0|1,0,0]=2 3118 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCF 7a_100000007056_100011934791 [0,1,0,0,0,0|1,0,0]=2 3119 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCO 34a_100000007056_100000230001 [0,1,0,0,0,0|1,0,0]=2 3120 B17R2.2708 Nc1c(ccc2c1cccc2)OCCCO 7a_100000007056_100011215043 [0,1,0,0,0,0|1,0,0]=2 3121 B17R2.2708 Nc1c(ccc2c1cccc2)SCCCF 62a_100009817101_100011934791 [0,1,0,0,0,0|1,1,0]=3 3122 B17R2.2708 Nc1c(ccc2c1cccc2)SCCCO 62a_100009817101_100011215043 [0,1,0,0,0,0|1,1,0]=3 3123 B17R2.2708 Nc1c(ccc2c1cccn2)SCCCF 62a_200010235790_100011934791 [0,1,0,0,0,0|2,1,0]=4 3124 B17R2.2708 Nc1c(ccc2c1cccn2)SCCCO 62a_200010235790_100011215043 [0,1,0,0,0,0|2,1,0]=4 3125 B17R2.2708 Nc1c(ccc2c1ccnc2)SCCCF 62a_100010191621_100011934791 [0,1,0,0,0,0|2,1,0]=4 3126 B17R2.2708 Nc1c(ccc2c1ccnc2)SCCCF 62a_100011934791_100010191621 [0,1,0,0,0,0|2,1,0]=4 3127 B17R2.2708 Nc1c(ccc2c1ccnc2)SCCCO 62a_100010191621_100011215043 [0,1,0,0,0,0|2,1,0]=4 3128 B17R2.2708 Nc1c(ccc2c1ccnc2)SCCCO 62a_100011215043_100010191621 [0,1,0,0,0,0|2,1,0]=4 3129 B17R2.2708 Nc1c(cnc2c1cccc2)SCCCF 62a_100009995562_100011934791 [0,1,0,0,0,0|2,1,0]=4 3130 B17R2.2708 Nc1c(cnc2c1cccc2)SCCCF 62a_100011934791_100009995562 [0,1,0,0,0,0|2,1,0]=4 3131 B17R2.2708 Nc1c(cnc2c1cccc2)SCCCO 62a_100009995562_100011215043 [0,1,0,0,0,0|2,1,0]=4 3132 B17R2.2708 Nc1c(cnc2c1cccc2)SCCCO 62a_100011215043_100009995562 [0,1,0,0,0,0|2,1,0]=4 3133 B17R2.2708 Nc1c(ncc2c1cccc2)SCCCF 62a_100009995564_100011934791 [0,1,0,0,0,0|2,1,0]=4 3134 B17R2.2708 Nc1c(ncc2c1cccc2)SCCCF 62a_100011934791_100000087573 [0,1,0,0,0,0|2,1,0]=4 3135 B17R2.2708 Nc1c(ncc2c1cccc2)SCCCO 62a_100009995564_100011215043 [0,1,0,0,0,0|2,1,0]=4 3136 B17R2.2708 Nc1c(ncc2c1cccc2)SCCCO 62a_100011215043_100000087573 [0,1,0,0,0,0|2,1,0]=4 3137 B17R2.2708 O=c1c(c[nH]c2c1cccc2)SCCCF 62a_100011934791_100012348052 [0,1,0,0,0,0|2,1,0]=4 3138 B17R2.2708 O=c1c(c[nH]c2c1cccc2)SCCCO 62a_100011215043_100012348052 [0,1,0,0,0,0|2,1,0]=4 3139 B17R2.2708 O=c1c(coc2c1cccc2)SCCCF 62a_100011934791_100009813851 [0,1,0,0,0,0|2,1,0]=4 3140 B17R2.2708 O=c1c(coc2c1cccc2)SCCCO 62a_100011215043_100009813851 [0,1,0,0,0,0|2,1,0]=4 3141 B17R2.2708 OCCCNc1ccc2ccccc2c1Br 34a_100000705303_100000230001 [0,1,0,0,0,0|2,0,0]=3 3142 B17R2.2708 OCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000230001 [0,1,0,0,0,0|2,0,0]=3 3143 B17R2.2708 OCCCNc1ccc2ccccc2c1O 34a_100000007060_100000230001 [0,1,0,0,0,0|2,0,0]=3 3144 B17R2.2708 OCCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000230001 [0,1,0,0,0,0|3,0,0]=4 3145 B17R2.2708 OCCCNc1ccc2ncccc2c1Br 34a_200009995563_100000230001 [0,1,0,0,0,0|3,0,0]=4 3146 B17R2.2708 OCCCOc1ccc2ccccc2c1Br 34a_100000183829_100000230001 [0,1,0,0,0,0|1,0,0]=2 3147 B17R2.2708 OCCCOc1ccc2ccccc2c1Br 7a_100000183829_100011215043 [0,1,0,0,0,0|1,0,0]=2 3148 B17R2.2708 OCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000230001 [0,1,0,0,0,0|1,0,0]=2 3149 B17R2.2708 OCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100011215043 [0,1,0,0,0,0|1,0,0]=2 3150 B17R2.2708 OCCCOc1ccc2ccccc2c1I 34a_100000041551_100000230001 [0,1,0,0,0,0|1,0,0]=2 3151 B17R2.2708 OCCCOc1ccc2ccccc2c1I 7a_100000041551_100011215043 [0,1,0,0,0,0|1,0,0]=2 3152 B17R2.2708 OCCCOc1ccc2cccnc2c1Br 34a_100010173343_100000230001 [0,1,0,0,0,0|2,0,0]=3 3153 B17R2.2708 OCCCOc1ccc2cccnc2c1Br 7a_100010173343_100011215043 [0,1,0,0,0,0|2,0,0]=3 3154 B17R2.2708 OCCCOc1ccc2ccncc2c1Br 34a_200010115057_100000230001 [0,1,0,0,0,0|2,0,0]=3 3155 B17R2.2708 OCCCOc1ccc2ccncc2c1Br 7a_200010115057_100011215043 [0,1,0,0,0,0|2,0,0]=3 3156 B17R2.2708 OCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000230001 [0,1,0,0,0,0|2,0,0]=3 3157 B17R2.2708 OCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100011215043 [0,1,0,0,0,0|2,0,0]=3 3158 B17R2.2708 OCCCSc1ccc2ccccc2c1Br 62a_100011215043_200010089984 [0,1,0,0,0,0|1,1,0]=3 3159 B17R2.2708 OCCCSc1ccc2ccccc2c1Br 62a_200010089984_100011215043 [0,1,0,0,0,0|1,1,0]=3 3160 B17R2.2708 OCCCSc1ccc2ccccc2c1F 62a_100009832041_100011215043 [0,1,0,0,0,0|1,1,0]=3 3161 B17R2.2708 OCCCSc1ccc2ccccc2c1F 62a_100011215043_100009832041 [0,1,0,0,0,0|1,1,0]=3 3162 B17R2.2708 OCCCSc1ccc2ccccc2c1O 62a_100011215043_100009996032 [0,1,0,0,0,0|1,1,0]=3 3163 B17R2.2708 OCCCSc1ccc2cccnc2c1F 62a_100010751467_100011215043 [0,1,0,0,0,0|2,1,0]=4 3164 B17R2.2708 OCCCSc1ccc2cccnc2c1F 62a_100011215043_100010751467 [0,1,0,0,0,0|2,1,0]=4 3165 B17R2.2708 OCCCSc1ccc2cccnc2c1O 62a_100011215043_100009816563 [0,1,0,0,0,0|2,1,0]=4 3166 B17R2.2708 OCCCSc1cnc2ccccc2c1Cl 62a_100011215043_100012352519 [0,1,0,0,0,0|2,1,0]=4 3167 B17R2.2708 OCCNCc1ccc2ccccc2c1Br 207a_100000210304_100009813496 [0,1,0,0,0,0|3,0,0]=4 3168 B17R2.2708 OCCNCc1ccc2ccccc2c1Br 2230a_100016997473_100009813938 [0,1,0,0,0,0|3,0,0]=4 3169 B17R2.2708 OCCNCc1ccc2ccccc2c1Br 270004a_100000210304_100009813496 [0,1,0,0,0,0|3,0,0]=4 3170 B17R2.2708 OCCNCc1ccc2ccccc2c1Br 34a_100016990907_100009813938 [0,1,0,0,0,0|3,0,0]=4 3171 B17R2.2708 OCCSCc1ccc2ccccc2c1Br 62a_100000211926_100009813938 [0,1,0,0,0,0|3,0,0]=4 3172 B17R2.2708 OCCSCc1ccc2ccccc2c1Br 62a_100009813938_100000211926 [0,1,0,0,0,0|3,0,0]=4 3173 B17R2.2708 Oc1c(ccc2c1cccc2)NCCCF 34a_100000007060_100011934791 [0,1,0,0,0,0|2,0,0]=3 3174 B17R2.2708 Oc1c(ccc2c1cccc2)SCCCF 62a_100011934791_100009996032 [0,1,0,0,0,0|1,1,0]=3 3175 B17R2.2708 Oc1c(ccc2c1nccc2)SCCCF 62a_100011934791_100009816563 [0,1,0,0,0,0|2,1,0]=4 3176 B17R2.5669 C=C(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000730704 [0,1,0,0,0,0|1,0,1]=3 3177 B17R2.5669 C=C(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000730704 [0,1,0,0,0,0|1,0,1]=3 3178 B17R2.5669 C=C(C)CCNc1ccc2cccnc2c1 34a_100102887122_100000730704 [0,1,0,0,0,0|2,0,1]=4 3179 B17R2.5669 C=C(C)CCNc1ccc2cnccc2c1 34a_100000039641_100000730704 [0,1,0,0,0,0|2,0,1]=4 3180 B17R2.5669 C=C(C)CCNc1ccc2ncccc2c1 34a_100011198106_100000730704 [0,1,0,0,0,0|2,0,1]=4 3181 B17R2.5669 C=C(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000730704 [0,1,0,0,0,0|0,0,1]=2 3182 B17R2.5669 C=C(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000730704 [0,1,0,0,0,0|0,0,1]=2 3183 B17R2.5669 C=C(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000730704 [0,1,0,0,0,0|1,0,1]=3 3184 B17R2.5669 C=C(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000730704 [0,1,0,0,0,0|1,0,1]=3 3185 B17R2.5669 C=C(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000730704 [0,1,0,0,0,0|1,0,1]=3 3186 B17R2.5669 C=C(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000730704 [0,1,0,0,0,0|1,0,1]=3 3187 B17R2.5669 C=C(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000730704 [0,1,0,0,0,0|1,0,1]=3 3188 B17R2.5669 C=C(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000730704 [0,1,0,0,0,0|1,0,1]=3 3189 B17R2.5669 C=C(C)CCOc1ccc2nccnc2c1 34a_100000694412_100000730704 [0,1,0,0,0,0|2,0,1]=4 3190 B17R2.5669 C=C(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000730704 [0,1,0,0,0,0|1,0,1]=3 3191 B17R2.5669 C=C(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000730704 [0,1,0,0,0,0|1,0,1]=3 3192 B17R2.5669 C=C(C)CCSc1cc2ccccc2cn1 62a_100000730704_100000047361 [0,1,0,0,0,0|1,1,1]=4 3193 B17R2.5669 C=C(C)CCSc1cc2ccccc2cn1 62a_100009816522_100000730704 [0,1,0,0,0,0|1,1,1]=4 3194 B17R2.5669 C=C(C)CCSc1ccc2ccccc2c1 62a_100000730704_100000233703 [0,1,0,0,0,0|0,1,1]=3 3195 B17R2.5669 C=C(C)CCSc1ccc2ccccc2n1 62a_100000730704_100011291633 [0,1,0,0,0,0|1,1,1]=4 3196 B17R2.5669 C=C(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000730704 [0,1,0,0,0,0|1,1,1]=4 3197 B17R2.5669 C=C(C)CCSc1ccc2cccnc2c1 62a_100000730704_100009816655 [0,1,0,0,0,0|1,1,1]=4 3198 B17R2.5669 C=C(C)CCSc1ccc2ccncc2c1 62a_100000686496_100000730704 [0,1,0,0,0,0|1,1,1]=4 3199 B17R2.5669 C=C(C)CCSc1ccc2ccncc2c1 62a_100000730704_100000686496 [0,1,0,0,0,0|1,1,1]=4 3200 B17R2.5669 C=C(C)CCSc1ccc2cnccc2c1 62a_100000730704_100009816743 [0,1,0,0,0,0|1,1,1]=4 3201 B17R2.5669 C=C(C)CCSc1ccc2cnccc2c1 62a_100009816743_100000730704 [0,1,0,0,0,0|1,1,1]=4 3202 B17R2.5669 C=C(C)CCSc1ccc2ncccc2c1 62a_100000730704_100011215947 [0,1,0,0,0,0|1,1,1]=4 3203 B17R2.5669 C=C(C)CCSc1ccc2ncccc2c1 62a_100011215947_100000730704 [0,1,0,0,0,0|1,1,1]=4 3204 B17R2.5669 C=C(C)CCSc1cnc2ccccc2c1 62a_100000730704_100000737414 [0,1,0,0,0,0|1,1,1]=4 3205 B17R2.5669 C=C(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000748629 [0,1,0,0,0,0|2,0,1]=4 3206 B17R2.5669 C=C(C)CNCc1ccc2ccccc2c1 34a_100000739491_100000748629 [0,1,0,0,0,0|2,0,1]=4 3207 B17R2.5669 C=C(C)COCc1ccc2ccccc2c1 34a_100000210245_100011216711 [0,1,0,0,0,0|2,0,1]=4 3208 B17R2.5669 C=C(C)COCc1ccc2ccccc2c1 34a_100011215330_100000748629 [0,1,0,0,0,0|2,0,1]=4 3209 B17R2.5669 C=C(C)COCc1ccc2ccccc2c1 7a_100011215330_100000748629 [0,1,0,0,0,0|2,0,1]=4 3210 B17R2.5669 C=C(C)CSCc1ccc2ccccc2c1 62a_100000748629_100011216711 [0,1,0,0,0,0|2,0,1]=4 3211 B17R2.5669 C=C(C)CSCc1ccc2ccccc2c1 62a_100011216711_100000211660 [0,1,0,0,0,0|2,0,1]=4 3212 B17R2.5669 CC(=CCNc1ccc2ccccc2c1)C 34a_100000211940_100000761012 [0,1,0,0,0,0|1,0,2]=4 3213 B17R2.5669 CC(=CCNc1ccc2ccccc2c1)C 7a_100000211940_100000761012 [0,1,0,0,0,0|1,0,2]=4 3214 B17R2.5669 CC(=CCOc1ccc2ccccc2c1)C 34a_100000185828_100000761012 [0,1,0,0,0,0|0,0,2]=3 3215 B17R2.5669 CC(=CCOc1ccc2ccccc2c1)C 7a_100000185828_100000761012 [0,1,0,0,0,0|0,0,2]=3 3216 B17R2.5669 CC(=CCOc1ccc2cccnc2c1)C 34a_100011216045_100000761012 [0,1,0,0,0,0|1,0,2]=4 3217 B17R2.5669 CC(=CCOc1ccc2ccncc2c1)C 7a_100000752006_100000761012 [0,1,0,0,0,0|1,0,2]=4 3218 B17R2.5669 CC(=CCOc1ccc2cnccc2c1)C 34a_100000046372_100000761012 [0,1,0,0,0,0|1,0,2]=4 3219 B17R2.5669 CC(=CCOc1ccc2cnccc2c1)C 7a_100000046372_100000761012 [0,1,0,0,0,0|1,0,2]=4 3220 B17R2.5669 CC(=CCOc1ccc2ncccc2c1)C 34a_100011215586_100000761012 [0,1,0,0,0,0|1,0,2]=4 3221 B17R2.5669 CC(=CCOc1ccc2ncccc2c1)C 7a_100011215586_100000761012 [0,1,0,0,0,0|1,0,2]=4 3222 B17R2.5669 CC(=CCOc1cnc2ccccc2c1)C 34a_100011934006_100000761012 [0,1,0,0,0,0|1,0,2]=4 3223 B17R2.5669 CC(=CCOc1cnc2ccccc2c1)C 7a_100011934006_100000761012 [0,1,0,0,0,0|1,0,2]=4 3224 B17R2.5669 CC(=CCSc1ccc2ccccc2c1)C 62a_100000761012_100000233703 [0,1,0,0,0,0|0,1,2]=4 3225 B17R2.5669 CC(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_200000210301 [0,1,0,0,0,0|1,0,1]=3 3226 B17R2.5669 CC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000053229 [0,1,0,0,0,0|1,0,1]=3 3227 B17R2.5669 CC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000053229 [0,1,0,0,0,0|0,0,1]=2 3228 B17R2.5669 CC(=O)CCOc1ccc2ccncc2c1 7a_100000752006_100000053229 [0,1,0,0,0,0|1,0,1]=3 3229 B17R2.5669 CC(=O)CCOc1ccc2cnccc2c1 7a_100000046372_100000053229 [0,1,0,0,0,0|1,0,1]=3 3230 B17R2.5669 CC(=O)CCOc1ccc2ncccc2c1 7a_100011215586_100000053229 [0,1,0,0,0,0|1,0,1]=3 3231 B17R2.5669 CC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000053229 [0,1,0,0,0,0|1,0,1]=3 3232 B17R2.5669 CC(=O)CCSc1cc2ccccc2cn1 62a_100000053229_100000047361 [0,1,0,0,0,0|1,1,1]=4 3233 B17R2.5669 CC(=O)CCSc1cc2ccccc2cn1 62a_100009816522_100000053229 [0,1,0,0,0,0|1,1,1]=4 3234 B17R2.5669 CC(=O)CCSc1ccc2ccccc2c1 1458a_200000208815_200000210301 [0,1,0,0,0,0|0,1,1]=3 3235 B17R2.5669 CC(=O)CCSc1ccc2ccccc2c1 62a_100000053229_100000233703 [0,1,0,0,0,0|0,1,1]=3 3236 B17R2.5669 CC(=O)CCSc1ccc2ccccc2n1 62a_100000053229_100011291633 [0,1,0,0,0,0|1,1,1]=4 3237 B17R2.5669 CC(=O)CCSc1ccc2ccccc2n1 62a_100011291633_100000053229 [0,1,0,0,0,0|1,1,1]=4 3238 B17R2.5669 CC(=O)CCSc1ccc2cccnc2c1 62a_100000053229_100009816655 [0,1,0,0,0,0|1,1,1]=4 3239 B17R2.5669 CC(=O)CCSc1ccc2ccncc2c1 62a_100000053229_100000686496 [0,1,0,0,0,0|1,1,1]=4 3240 B17R2.5669 CC(=O)CCSc1ccc2ccncc2c1 62a_100000686496_100000053229 [0,1,0,0,0,0|1,1,1]=4 3241 B17R2.5669 CC(=O)CCSc1ccc2cnccc2c1 62a_100000053229_100009816743 [0,1,0,0,0,0|1,1,1]=4 3242 B17R2.5669 CC(=O)CCSc1ccc2cnccc2c1 62a_100009816743_100000053229 [0,1,0,0,0,0|1,1,1]=4 3243 B17R2.5669 CC(=O)CCSc1ccc2ncccc2c1 62a_100000053229_100011215947 [0,1,0,0,0,0|1,1,1]=4 3244 B17R2.5669 CC(=O)CCSc1ccc2ncccc2c1 62a_100011215947_100000053229 [0,1,0,0,0,0|1,1,1]=4 3245 B17R2.5669 CC(=O)CCSc1cnc2ccccc2c1 62a_100000053229_100000737414 [0,1,0,0,0,0|1,1,1]=4 3246 B17R2.5669 CC(=O)COCc1ccc2ccccc2c1 34a_100000211253_100011216711 [0,1,0,0,0,0|2,0,1]=4 3247 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 11a_100000746582_100015343762 [0,1,0,0,0,0|2,0,1]=4 3248 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 1626a_100000746582_100015343762 [0,1,0,0,0,0|2,0,1]=4 3249 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 240690a_100000746582_100015343762 [0,1,0,0,0,0|2,0,1]=4 3250 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 527a_100000746582_100103153847 [0,1,0,0,0,0|2,0,1]=4 3251 B17R2.5669 CC(=O)OCNc1ccc2ccccc2c1 34a_100000211940_100009813279 [0,1,0,0,0,0|2,0,1]=4 3252 B17R2.5669 CC(=O)OCOc1ccc2ccccc2c1 34a_100000185828_100009813279 [0,1,0,0,0,0|1,0,1]=3 3253 B17R2.5669 CC(=O)OCOc1ccc2cccnc2c1 34a_100011216045_100009813279 [0,1,0,0,0,0|2,0,1]=4 3254 B17R2.5669 CC(=O)OCOc1ccc2cnccc2c1 34a_100000046372_100009813279 [0,1,0,0,0,0|2,0,1]=4 3255 B17R2.5669 CC(=O)OCOc1ccc2ncccc2c1 34a_100011215586_100009813279 [0,1,0,0,0,0|2,0,1]=4 3256 B17R2.5669 CC(=O)OCOc1cnc2ccccc2c1 34a_100011934006_100009813279 [0,1,0,0,0,0|2,0,1]=4 3257 B17R2.5669 CC(=O)OCSc1ccc2ccccc2c1 62a_100000076356_100000233703 [0,1,0,0,0,0|1,1,1]=4 3258 B17R2.5669 CC(Br)COCc1cc2ccccc2cn1 34a_100012180447_100009869231 [0,1,0,0,0,0|3,0,0]=4 3259 B17R2.5669 CC(Br)COCc1ccc2ccccc2c1 34a_100012180447_100011216711 [0,1,0,0,0,0|2,0,0]=3 3260 B17R2.5669 CC(Br)COCc1ccc2ccccc2n1 34a_100012180447_100000737579 [0,1,0,0,0,0|3,0,0]=4 3261 B17R2.5669 CC(Br)COCc1ccc2cnccc2c1 34a_100012180447_100020605334 [0,1,0,0,0,0|3,0,0]=4 3262 B17R2.5669 CC(Br)COCc1ccc2ncccc2c1 34a_100012180447_100000703657 [0,1,0,0,0,0|3,0,0]=4 3263 B17R2.5669 CC(C)C=NNc1ccc2ccccc2c1 4a_100016987534_100000210432 [0,1,0,0,0,0|2,0,1]=4 3264 B17R2.5669 CC(C)CC=Cc1cc2ccccc2cn1 271570a_100016259101_100000047361 [0,1,0,0,0,0|2,0,1]=4 3265 B17R2.5669 CC(C)CC=Cc1ccc2ccccc2c1 271570a_100016259101_100000233703 [0,1,0,0,0,0|1,0,1]=3 3266 B17R2.5669 CC(C)CC=Cc1ccc2ccccc2n1 271570a_100016259101_100011291633 [0,1,0,0,0,0|2,0,1]=4 3267 B17R2.5669 CC(C)CC=Cc1ccc2cccnc2c1 271570a_100016259101_100009816655 [0,1,0,0,0,0|2,0,1]=4 3268 B17R2.5669 CC(C)CC=Cc1ccc2ccncc2c1 271570a_100016259101_100000686496 [0,1,0,0,0,0|2,0,1]=4 3269 B17R2.5669 CC(C)CC=Cc1ccc2cnccc2c1 271570a_100016259101_100009816743 [0,1,0,0,0,0|2,0,1]=4 3270 B17R2.5669 CC(C)CC=Cc1ccc2ncccc2c1 271570a_100016259101_100000754243 [0,1,0,0,0,0|2,0,1]=4 3271 B17R2.5669 CC(C)CC=Cc1cnc2ccccc2c1 271570a_100016259101_100000737414 [0,1,0,0,0,0|2,0,1]=4 3272 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000210312 [0,1,0,0,0,0|1,0,0]=2 3273 B17R2.5669 CC(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000210626 [0,1,0,0,0,0|1,0,0]=2 3274 B17R2.5669 CC(C)CCNc1ccc2ccccc2n1 27a_100000210545_100011291633 [0,1,0,0,0,0|2,0,0]=3 3275 B17R2.5669 CC(C)CCNc1ccc2cccnc2c1 34a_100102887122_100000210312 [0,1,0,0,0,0|2,0,0]=3 3276 B17R2.5669 CC(C)CCNc1ccc2cccnc2n1 27a_100000210545_100000075685 [0,1,0,0,0,0|3,0,0]=4 3277 B17R2.5669 CC(C)CCNc1ccc2ccncc2n1 27a_100000210545_100000020162 [0,1,0,0,0,0|3,0,0]=4 3278 B17R2.5669 CC(C)CCNc1ccc2cnccc2c1 34a_100000039641_100000210312 [0,1,0,0,0,0|2,0,0]=3 3279 B17R2.5669 CC(C)CCNc1ccc2cncnc2c1 27a_100000210545_100010185614 [0,1,0,0,0,0|3,0,0]=4 3280 B17R2.5669 CC(C)CCNc1ccc2ncccc2c1 34a_100011198106_100000210312 [0,1,0,0,0,0|2,0,0]=3 3281 B17R2.5669 CC(C)CCNc1ccc2ncccc2n1 27a_100000210545_100000073381 [0,1,0,0,0,0|3,0,0]=4 3282 B17R2.5669 CC(C)CCNc1ccc2nccnc2c1 27a_100000210545_100011219451 [0,1,0,0,0,0|3,0,0]=4 3283 B17R2.5669 CC(C)CCNc1ccc2nccnc2c1 34a_100011219565_100000210312 [0,1,0,0,0,0|3,0,0]=4 3284 B17R2.5669 CC(C)CCNc1cnc2ccccc2n1 27a_100000210545_100000756483 [0,1,0,0,0,0|3,0,0]=4 3285 B17R2.5669 CC(C)CCNc1ncc2ccccc2n1 27a_100000210545_100000097389 [0,1,0,0,0,0|3,0,0]=4 3286 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000210312 [0,1,0,0,0,0|0,0,0]=1 3287 B17R2.5669 CC(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000210626 [0,1,0,0,0,0|0,0,0]=1 3288 B17R2.5669 CC(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000210312 [0,1,0,0,0,0|1,0,0]=2 3289 B17R2.5669 CC(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000210626 [0,1,0,0,0,0|1,0,0]=2 3290 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000210312 [0,1,0,0,0,0|1,0,0]=2 3291 B17R2.5669 CC(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000210626 [0,1,0,0,0,0|1,0,0]=2 3292 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000210312 [0,1,0,0,0,0|1,0,0]=2 3293 B17R2.5669 CC(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000210626 [0,1,0,0,0,0|1,0,0]=2 3294 B17R2.5669 CC(C)CCOc1ccc2nccnc2c1 34a_100000694412_100000210312 [0,1,0,0,0,0|2,0,0]=3 3295 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000210312 [0,1,0,0,0,0|1,0,0]=2 3296 B17R2.5669 CC(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000210626 [0,1,0,0,0,0|1,0,0]=2 3297 B17R2.5669 CC(C)CCSc1cc2ccccc2cn1 62a_100000210312_100000047361 [0,1,0,0,0,0|1,1,0]=3 3298 B17R2.5669 CC(C)CCSc1cc2ccccc2cn1 62a_100009816522_100000210312 [0,1,0,0,0,0|1,1,0]=3 3299 B17R2.5669 CC(C)CCSc1ccc2ccccc2c1 62a_100000210312_100000233703 [0,1,0,0,0,0|0,1,0]=2 3300 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100000210312_100011291633 [0,1,0,0,0,0|1,1,0]=3 3301 B17R2.5669 CC(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000210312 [0,1,0,0,0,0|1,1,0]=3 3302 B17R2.5669 CC(C)CCSc1ccc2cccnc2c1 62a_100000210312_100009816655 [0,1,0,0,0,0|1,1,0]=3 3303 B17R2.5669 CC(C)CCSc1ccc2cccnc2n1 62a_100000075685_100000210312 [0,1,0,0,0,0|2,1,0]=4 3304 B17R2.5669 CC(C)CCSc1ccc2cccnc2n1 62a_100000210312_100000075685 [0,1,0,0,0,0|2,1,0]=4 3305 B17R2.5669 CC(C)CCSc1ccc2ccncc2c1 62a_100000210312_100000686496 [0,1,0,0,0,0|1,1,0]=3 3306 B17R2.5669 CC(C)CCSc1ccc2ccncc2c1 62a_100000686496_100000210312 [0,1,0,0,0,0|1,1,0]=3 3307 B17R2.5669 CC(C)CCSc1ccc2ccncc2n1 62a_100000210312_100000020162 [0,1,0,0,0,0|2,1,0]=4 3308 B17R2.5669 CC(C)CCSc1ccc2cnccc2c1 62a_100000210312_100009816743 [0,1,0,0,0,0|1,1,0]=3 3309 B17R2.5669 CC(C)CCSc1ccc2cnccc2c1 62a_100009816743_100000210312 [0,1,0,0,0,0|1,1,0]=3 3310 B17R2.5669 CC(C)CCSc1ccc2cncnc2c1 62a_100000210312_100010185614 [0,1,0,0,0,0|2,1,0]=4 3311 B17R2.5669 CC(C)CCSc1ccc2cncnc2c1 62a_100010185614_100000210312 [0,1,0,0,0,0|2,1,0]=4 3312 B17R2.5669 CC(C)CCSc1ccc2cnncc2c1 62a_100000210312_100010198781 [0,1,0,0,0,0|2,1,0]=4 3313 B17R2.5669 CC(C)CCSc1ccc2cnncc2c1 62a_100010198781_100000210312 [0,1,0,0,0,0|2,1,0]=4 3314 B17R2.5669 CC(C)CCSc1ccc2ncccc2c1 62a_100000210312_100011215947 [0,1,0,0,0,0|1,1,0]=3 3315 B17R2.5669 CC(C)CCSc1ccc2ncccc2c1 62a_100011215947_100000210312 [0,1,0,0,0,0|1,1,0]=3 3316 B17R2.5669 CC(C)CCSc1ccc2ncccc2n1 62a_100000210312_100000073381 [0,1,0,0,0,0|2,1,0]=4 3317 B17R2.5669 CC(C)CCSc1ccc2nccnc2c1 62a_100000210312_100011219451 [0,1,0,0,0,0|2,1,0]=4 3318 B17R2.5669 CC(C)CCSc1ccc2nccnc2c1 62a_100011219451_100000210312 [0,1,0,0,0,0|2,1,0]=4 3319 B17R2.5669 CC(C)CCSc1ccc2ncncc2c1 62a_100000210312_100009989443 [0,1,0,0,0,0|2,1,0]=4 3320 B17R2.5669 CC(C)CCSc1ccc2ncncc2c1 62a_100009989443_100000210312 [0,1,0,0,0,0|2,1,0]=4 3321 B17R2.5669 CC(C)CCSc1ccc2nnccc2c1 62a_100000210312_100010209549 [0,1,0,0,0,0|2,1,0]=4 3322 B17R2.5669 CC(C)CCSc1ccc2nnccc2c1 62a_100010209549_100000210312 [0,1,0,0,0,0|2,1,0]=4 3323 B17R2.5669 CC(C)CCSc1cnc2ccccc2c1 62a_100000210312_100000737414 [0,1,0,0,0,0|1,1,0]=3 3324 B17R2.5669 CC(C)CCSc1cnc2ccccc2n1 62a_100000210312_100000756483 [0,1,0,0,0,0|2,1,0]=4 3325 B17R2.5669 CC(C)CCSc1cnc2ccccc2n1 62a_100000756483_100000210312 [0,1,0,0,0,0|2,1,0]=4 3326 B17R2.5669 CC(C)CCSc1cnc2cccnc2c1 62a_100000210312_100010246316 [0,1,0,0,0,0|2,1,0]=4 3327 B17R2.5669 CC(C)CCSc1cnc2cccnc2c1 62a_100010246316_100000210312 [0,1,0,0,0,0|2,1,0]=4 3328 B17R2.5669 CC(C)CCSc1ncc2ccccc2n1 62a_100000210312_100000097389 [0,1,0,0,0,0|2,1,0]=4 3329 B17R2.5669 CC(C)CNCc1cc2ccccc2cn1 207a_100000210953_100000059776 [0,1,0,0,0,0|3,0,0]=4 3330 B17R2.5669 CC(C)CNCc1cc2ccccc2cn1 2230a_100000210953_100009869231 [0,1,0,0,0,0|3,0,0]=4 3331 B17R2.5669 CC(C)CNCc1cc2ccccc2cn1 270004a_100000210953_100000059776 [0,1,0,0,0,0|3,0,0]=4 3332 B17R2.5669 CC(C)CNCc1cc2ccccc2cn1 34a_100000210953_100009869231 [0,1,0,0,0,0|3,0,0]=4 3333 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 207a_100000210953_100000211584 [0,1,0,0,0,0|2,0,0]=3 3334 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000210953_100011216711 [0,1,0,0,0,0|2,0,0]=3 3335 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000210760 [0,1,0,0,0,0|2,0,0]=3 3336 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000210953_100000211584 [0,1,0,0,0,0|2,0,0]=3 3337 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 270004a_100000739491_100000210432 [0,1,0,0,0,0|2,0,0]=3 3338 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000210953_100011216711 [0,1,0,0,0,0|2,0,0]=3 3339 B17R2.5669 CC(C)CNCc1ccc2ccccc2c1 34a_100000739491_100000210624 [0,1,0,0,0,0|2,0,0]=3 3340 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 207a_100000210953_100000759686 [0,1,0,0,0,0|3,0,0]=4 3341 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 2230a_100000210953_100000737579 [0,1,0,0,0,0|3,0,0]=4 3342 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 270004a_100000210953_100000759686 [0,1,0,0,0,0|3,0,0]=4 3343 B17R2.5669 CC(C)CNCc1ccc2ccccc2n1 34a_100000210953_100000737579 [0,1,0,0,0,0|3,0,0]=4 3344 B17R2.5669 CC(C)CNCc1ccc2cccnc2c1 207a_100000210953_100011784159 [0,1,0,0,0,0|3,0,0]=4 3345 B17R2.5669 CC(C)CNCc1ccc2cccnc2c1 270004a_100000210953_100011784159 [0,1,0,0,0,0|3,0,0]=4 3346 B17R2.5669 CC(C)CNCc1ccc2cnccc2c1 207a_100000210953_100000068276 [0,1,0,0,0,0|3,0,0]=4 3347 B17R2.5669 CC(C)CNCc1ccc2cnccc2c1 2230a_100000210953_100020605334 [0,1,0,0,0,0|3,0,0]=4 3348 B17R2.5669 CC(C)CNCc1ccc2cnccc2c1 270004a_100000210953_100000068276 [0,1,0,0,0,0|3,0,0]=4 3349 B17R2.5669 CC(C)CNCc1ccc2cnccc2c1 34a_100000210953_100020605334 [0,1,0,0,0,0|3,0,0]=4 3350 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 207a_100000210953_100000211315 [0,1,0,0,0,0|3,0,0]=4 3351 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 2230a_100000210953_100000703657 [0,1,0,0,0,0|3,0,0]=4 3352 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 270004a_100000210953_100000211315 [0,1,0,0,0,0|3,0,0]=4 3353 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 270004a_100000238500_100000210432 [0,1,0,0,0,0|3,0,0]=4 3354 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 34a_100000210953_100000703657 [0,1,0,0,0,0|3,0,0]=4 3355 B17R2.5669 CC(C)CNCc1ccc2ncccc2c1 34a_100000238500_100000210624 [0,1,0,0,0,0|3,0,0]=4 3356 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 207a_100000210953_100000750898 [0,1,0,0,0,0|3,0,0]=4 3357 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 270004a_100000210953_100000750898 [0,1,0,0,0,0|3,0,0]=4 3358 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 270004a_100000742225_100000210432 [0,1,0,0,0,0|3,0,0]=4 3359 B17R2.5669 CC(C)CNCc1cnc2ccccc2c1 34a_100000742225_100000210624 [0,1,0,0,0,0|3,0,0]=4 3360 B17R2.5669 CC(C)COCc1cc2ccccc2cn1 34a_100000210257_100009869231 [0,1,0,0,0,0|3,0,0]=4 3361 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100000210257_100011216711 [0,1,0,0,0,0|2,0,0]=3 3362 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 34a_100011215330_100000210624 [0,1,0,0,0,0|2,0,0]=3 3363 B17R2.5669 CC(C)COCc1ccc2ccccc2c1 7a_100011215330_100000210760 [0,1,0,0,0,0|2,0,0]=3 3364 B17R2.5669 CC(C)COCc1ccc2ccccc2n1 34a_100000210257_100000737579 [0,1,0,0,0,0|3,0,0]=4 3365 B17R2.5669 CC(C)COCc1ccc2cnccc2c1 34a_100000210257_100020605334 [0,1,0,0,0,0|3,0,0]=4 3366 B17R2.5669 CC(C)COCc1ccc2ncccc2c1 34a_100000210257_100000703657 [0,1,0,0,0,0|3,0,0]=4 3367 B17R2.5669 CC(C)COCc1ccc2ncccc2c1 34a_100011315636_100000210624 [0,1,0,0,0,0|3,0,0]=4 3368 B17R2.5669 CC(C)COCc1cnc2ccccc2c1 34a_100011258773_100000210624 [0,1,0,0,0,0|3,0,0]=4 3369 B17R2.5669 CC(C)CSCc1cc2ccccc2cn1 62a_100000210624_100009869231 [0,1,0,0,0,0|3,0,0]=4 3370 B17R2.5669 CC(C)CSCc1cc2ccccc2cn1 62a_100009869231_100000210760 [0,1,0,0,0,0|3,0,0]=4 3371 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100000210624_100011216711 [0,1,0,0,0,0|2,0,0]=3 3372 B17R2.5669 CC(C)CSCc1ccc2ccccc2c1 62a_100011216711_100000210760 [0,1,0,0,0,0|2,0,0]=3 3373 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000210624_100000737579 [0,1,0,0,0,0|3,0,0]=4 3374 B17R2.5669 CC(C)CSCc1ccc2ccccc2n1 62a_100000737579_100000210760 [0,1,0,0,0,0|3,0,0]=4 3375 B17R2.5669 CC(C)CSCc1ccc2cnccc2c1 62a_100000210624_100020605334 [0,1,0,0,0,0|3,0,0]=4 3376 B17R2.5669 CC(C)CSCc1ccc2cnccc2c1 62a_100020605334_100000210760 [0,1,0,0,0,0|3,0,0]=4 3377 B17R2.5669 CC(C)CSCc1ccc2ncccc2c1 62a_100000210624_100000703657 [0,1,0,0,0,0|3,0,0]=4 3378 B17R2.5669 CC(C)CSCc1ccc2ncccc2c1 62a_100000703657_100000210760 [0,1,0,0,0,0|3,0,0]=4 3379 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 2230a_100000746582_100000210206 [0,1,0,0,0,0|2,0,0]=3 3380 B17R2.5669 CC(C)NCCc1ccc2ccccc2c1 34a_100000746582_100000210206 [0,1,0,0,0,0|2,0,0]=3 3381 B17R2.5669 CC(C)NN=Cc1ccc2ccccc2c1 4a_100000741168_100000211584 [0,1,0,0,0,0|3,0,0]=4 3382 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 34a_100000755654_100000210206 [0,1,0,0,0,0|2,0,0]=3 3383 B17R2.5669 CC(C)OCCc1ccc2ccccc2c1 7a_100000755654_100000210206 [0,1,0,0,0,0|2,0,0]=3 3384 B17R2.5669 CC(C)OCCc1ccc2ccccc2n1 34a_100011996444_100000210206 [0,1,0,0,0,0|3,0,0]=4 3385 B17R2.5669 CC(C)OCNc1ccc2ccccc2c1 34a_100000211940_100000709892 [0,1,0,0,0,0|2,0,0]=3 3386 B17R2.5669 CC(C)OCNc1ccc2cccnc2c1 34a_100102887122_100000709892 [0,1,0,0,0,0|3,0,0]=4 3387 B17R2.5669 CC(C)OCNc1ccc2cnccc2c1 34a_100000039641_100000709892 [0,1,0,0,0,0|3,0,0]=4 3388 B17R2.5669 CC(C)OCNc1ccc2ncccc2c1 34a_100011198106_100000709892 [0,1,0,0,0,0|3,0,0]=4 3389 B17R2.5669 CC(C)OCOc1ccc2ccccc2c1 34a_100000185828_100000709892 [0,1,0,0,0,0|1,0,0]=2 3390 B17R2.5669 CC(C)OCOc1ccc2cccnc2c1 34a_100011216045_100000709892 [0,1,0,0,0,0|2,0,0]=3 3391 B17R2.5669 CC(C)OCOc1ccc2cnccc2c1 34a_100000046372_100000709892 [0,1,0,0,0,0|2,0,0]=3 3392 B17R2.5669 CC(C)OCOc1ccc2ncccc2c1 34a_100011215586_100000709892 [0,1,0,0,0,0|2,0,0]=3 3393 B17R2.5669 CC(C)OCOc1ccc2nccnc2c1 34a_100000694412_100000709892 [0,1,0,0,0,0|3,0,0]=4 3394 B17R2.5669 CC(C)OCOc1cnc2ccccc2c1 34a_100011934006_100000709892 [0,1,0,0,0,0|2,0,0]=3 3395 B17R2.5669 CC(C)OCSc1cc2ccccc2cn1 62a_100000709892_100000047361 [0,1,0,0,0,0|2,1,0]=4 3396 B17R2.5669 CC(C)OCSc1cc2ccccc2cn1 62a_100009816522_100000709892 [0,1,0,0,0,0|2,1,0]=4 3397 B17R2.5669 CC(C)OCSc1ccc2ccccc2c1 62a_100000709892_100000233703 [0,1,0,0,0,0|1,1,0]=3 3398 B17R2.5669 CC(C)OCSc1ccc2ccccc2n1 62a_100000709892_100011291633 [0,1,0,0,0,0|2,1,0]=4 3399 B17R2.5669 CC(C)OCSc1ccc2ccccc2n1 62a_100011291633_100000709892 [0,1,0,0,0,0|2,1,0]=4 3400 B17R2.5669 CC(C)OCSc1ccc2cccnc2c1 62a_100000709892_100009816655 [0,1,0,0,0,0|2,1,0]=4 3401 B17R2.5669 CC(C)OCSc1ccc2ccncc2c1 62a_100000686496_100000709892 [0,1,0,0,0,0|2,1,0]=4 3402 B17R2.5669 CC(C)OCSc1ccc2ccncc2c1 62a_100000709892_100000686496 [0,1,0,0,0,0|2,1,0]=4 3403 B17R2.5669 CC(C)OCSc1ccc2cnccc2c1 62a_100000709892_100009816743 [0,1,0,0,0,0|2,1,0]=4 3404 B17R2.5669 CC(C)OCSc1ccc2cnccc2c1 62a_100009816743_100000709892 [0,1,0,0,0,0|2,1,0]=4 3405 B17R2.5669 CC(C)OCSc1ccc2ncccc2c1 62a_100000709892_100011215947 [0,1,0,0,0,0|2,1,0]=4 3406 B17R2.5669 CC(C)OCSc1ccc2ncccc2c1 62a_100011215947_100000709892 [0,1,0,0,0,0|2,1,0]=4 3407 B17R2.5669 CC(C)OCSc1cnc2ccccc2c1 62a_100000709892_100000737414 [0,1,0,0,0,0|2,1,0]=4 3408 B17R2.5669 CC(F)COCc1cc2ccccc2cn1 34a_100015925927_100009869231 [0,1,0,0,0,0|3,0,0]=4 3409 B17R2.5669 CC(F)COCc1ccc2ccccc2c1 34a_100015925927_100011216711 [0,1,0,0,0,0|2,0,0]=3 3410 B17R2.5669 CC(F)COCc1ccc2ccccc2n1 34a_100015925927_100000737579 [0,1,0,0,0,0|3,0,0]=4 3411 B17R2.5669 CC(F)COCc1ccc2cnccc2c1 34a_100015925927_100020605334 [0,1,0,0,0,0|3,0,0]=4 3412 B17R2.5669 CC(F)COCc1ccc2ncccc2c1 34a_100015925927_100000703657 [0,1,0,0,0,0|3,0,0]=4 3413 B17R2.5669 CC(O)CCNc1ccc2ccccc2c1 34a_100000211940_100012276601 [0,1,0,0,0,0|1,0,0]=2 3414 B17R2.5669 CC(O)CCNc1ccc2ccccc2c1 7a_100000211940_100012276601 [0,1,0,0,0,0|1,0,0]=2 3415 B17R2.5669 CC(O)CCNc1ccc2ccccc2n1 27a_200000755665_100011291633 [0,1,0,0,0,0|2,0,0]=3 3416 B17R2.5669 CC(O)CCNc1ccc2cccnc2c1 34a_100102887122_100012276601 [0,1,0,0,0,0|2,0,0]=3 3417 B17R2.5669 CC(O)CCNc1ccc2cccnc2n1 27a_200000755665_100000075685 [0,1,0,0,0,0|3,0,0]=4 3418 B17R2.5669 CC(O)CCNc1ccc2ccncc2n1 27a_200000755665_100000020162 [0,1,0,0,0,0|3,0,0]=4 3419 B17R2.5669 CC(O)CCNc1ccc2cnccc2c1 34a_100000039641_100012276601 [0,1,0,0,0,0|2,0,0]=3 3420 B17R2.5669 CC(O)CCNc1ccc2cncnc2c1 27a_200000755665_100010185614 [0,1,0,0,0,0|3,0,0]=4 3421 B17R2.5669 CC(O)CCNc1ccc2ncccc2c1 34a_100011198106_100012276601 [0,1,0,0,0,0|2,0,0]=3 3422 B17R2.5669 CC(O)CCNc1ccc2ncccc2n1 27a_200000755665_100000073381 [0,1,0,0,0,0|3,0,0]=4 3423 B17R2.5669 CC(O)CCNc1ccc2nccnc2c1 27a_200000755665_100011219451 [0,1,0,0,0,0|3,0,0]=4 3424 B17R2.5669 CC(O)CCNc1ccc2nccnc2c1 34a_100011219565_100012276601 [0,1,0,0,0,0|3,0,0]=4 3425 B17R2.5669 CC(O)CCNc1cnc2ccccc2n1 27a_200000755665_100000756483 [0,1,0,0,0,0|3,0,0]=4 3426 B17R2.5669 CC(O)CCNc1ncc2ccccc2n1 27a_200000755665_100000097389 [0,1,0,0,0,0|3,0,0]=4 3427 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 34a_100000185828_100012276601 [0,1,0,0,0,0|0,0,0]=1 3428 B17R2.5669 CC(O)CCOc1ccc2ccccc2c1 7a_100000185828_100012276601 [0,1,0,0,0,0|0,0,0]=1 3429 B17R2.5669 CC(O)CCOc1ccc2cccnc2c1 34a_100011216045_100012276601 [0,1,0,0,0,0|1,0,0]=2 3430 B17R2.5669 CC(O)CCOc1ccc2ccncc2c1 7a_100000752006_100012276601 [0,1,0,0,0,0|1,0,0]=2 3431 B17R2.5669 CC(O)CCOc1ccc2cnccc2c1 34a_100000046372_100012276601 [0,1,0,0,0,0|1,0,0]=2 3432 B17R2.5669 CC(O)CCOc1ccc2cnccc2c1 7a_100000046372_100012276601 [0,1,0,0,0,0|1,0,0]=2 3433 B17R2.5669 CC(O)CCOc1ccc2ncccc2c1 34a_100011215586_100012276601 [0,1,0,0,0,0|1,0,0]=2 3434 B17R2.5669 CC(O)CCOc1ccc2ncccc2c1 7a_100011215586_100012276601 [0,1,0,0,0,0|1,0,0]=2 3435 B17R2.5669 CC(O)CCOc1ccc2nccnc2c1 34a_100000694412_100012276601 [0,1,0,0,0,0|2,0,0]=3 3436 B17R2.5669 CC(O)CCOc1cnc2ccccc2c1 34a_100011934006_100012276601 [0,1,0,0,0,0|1,0,0]=2 3437 B17R2.5669 CC(O)CCOc1cnc2ccccc2c1 7a_100011934006_100012276601 [0,1,0,0,0,0|1,0,0]=2 3438 B17R2.5669 CC(O)CCSc1cc2ccccc2cn1 62a_100009816522_100012276601 [0,1,0,0,0,0|1,1,0]=3 3439 B17R2.5669 CC(O)CCSc1cc2ccccc2cn1 62a_100012276601_100000047361 [0,1,0,0,0,0|1,1,0]=3 3440 B17R2.5669 CC(O)CCSc1ccc2ccccc2c1 62a_100012276601_100000233703 [0,1,0,0,0,0|0,1,0]=2 3441 B17R2.5669 CC(O)CCSc1ccc2ccccc2n1 62a_100011291633_100012276601 [0,1,0,0,0,0|1,1,0]=3 3442 B17R2.5669 CC(O)CCSc1ccc2ccccc2n1 62a_100012276601_100011291633 [0,1,0,0,0,0|1,1,0]=3 3443 B17R2.5669 CC(O)CCSc1ccc2cccnc2c1 62a_100012276601_100009816655 [0,1,0,0,0,0|1,1,0]=3 3444 B17R2.5669 CC(O)CCSc1ccc2cccnc2n1 62a_100000075685_100012276601 [0,1,0,0,0,0|2,1,0]=4 3445 B17R2.5669 CC(O)CCSc1ccc2cccnc2n1 62a_100012276601_100000075685 [0,1,0,0,0,0|2,1,0]=4 3446 B17R2.5669 CC(O)CCSc1ccc2ccncc2c1 62a_100000686496_100012276601 [0,1,0,0,0,0|1,1,0]=3 3447 B17R2.5669 CC(O)CCSc1ccc2ccncc2c1 62a_100012276601_100000686496 [0,1,0,0,0,0|1,1,0]=3 3448 B17R2.5669 CC(O)CCSc1ccc2ccncc2n1 62a_100012276601_100000020162 [0,1,0,0,0,0|2,1,0]=4 3449 B17R2.5669 CC(O)CCSc1ccc2cnccc2c1 62a_100009816743_100012276601 [0,1,0,0,0,0|1,1,0]=3 3450 B17R2.5669 CC(O)CCSc1ccc2cnccc2c1 62a_100012276601_100009816743 [0,1,0,0,0,0|1,1,0]=3 3451 B17R2.5669 CC(O)CCSc1ccc2cncnc2c1 62a_100010185614_100012276601 [0,1,0,0,0,0|2,1,0]=4 3452 B17R2.5669 CC(O)CCSc1ccc2cncnc2c1 62a_100012276601_100010185614 [0,1,0,0,0,0|2,1,0]=4 3453 B17R2.5669 CC(O)CCSc1ccc2cnncc2c1 62a_100010198781_100012276601 [0,1,0,0,0,0|2,1,0]=4 3454 B17R2.5669 CC(O)CCSc1ccc2cnncc2c1 62a_100012276601_100010198781 [0,1,0,0,0,0|2,1,0]=4 3455 B17R2.5669 CC(O)CCSc1ccc2ncccc2c1 62a_100011215947_100012276601 [0,1,0,0,0,0|1,1,0]=3 3456 B17R2.5669 CC(O)CCSc1ccc2ncccc2c1 62a_100012276601_100011215947 [0,1,0,0,0,0|1,1,0]=3 3457 B17R2.5669 CC(O)CCSc1ccc2ncccc2n1 62a_100012276601_100000073381 [0,1,0,0,0,0|2,1,0]=4 3458 B17R2.5669 CC(O)CCSc1ccc2nccnc2c1 62a_100011219451_100012276601 [0,1,0,0,0,0|2,1,0]=4 3459 B17R2.5669 CC(O)CCSc1ccc2nccnc2c1 62a_100012276601_100011219451 [0,1,0,0,0,0|2,1,0]=4 3460 B17R2.5669 CC(O)CCSc1ccc2ncncc2c1 62a_100009989443_100012276601 [0,1,0,0,0,0|2,1,0]=4 3461 B17R2.5669 CC(O)CCSc1ccc2ncncc2c1 62a_100012276601_100009989443 [0,1,0,0,0,0|2,1,0]=4 3462 B17R2.5669 CC(O)CCSc1ccc2nnccc2c1 62a_100010209549_100012276601 [0,1,0,0,0,0|2,1,0]=4 3463 B17R2.5669 CC(O)CCSc1ccc2nnccc2c1 62a_100012276601_100010209549 [0,1,0,0,0,0|2,1,0]=4 3464 B17R2.5669 CC(O)CCSc1cnc2ccccc2c1 62a_100012276601_100000737414 [0,1,0,0,0,0|1,1,0]=3 3465 B17R2.5669 CC(O)CCSc1cnc2ccccc2n1 62a_100000756483_100012276601 [0,1,0,0,0,0|2,1,0]=4 3466 B17R2.5669 CC(O)CCSc1cnc2ccccc2n1 62a_100012276601_100000756483 [0,1,0,0,0,0|2,1,0]=4 3467 B17R2.5669 CC(O)CCSc1cnc2cccnc2c1 62a_100010246316_100012276601 [0,1,0,0,0,0|2,1,0]=4 3468 B17R2.5669 CC(O)CCSc1cnc2cccnc2c1 62a_100012276601_100010246316 [0,1,0,0,0,0|2,1,0]=4 3469 B17R2.5669 CC(O)CCSc1ncc2ccccc2n1 62a_100012276601_100000097389 [0,1,0,0,0,0|2,1,0]=4 3470 B17R2.5669 CC(O)CNCc1cc2ccccc2cn1 207a_100000210904_100000059776 [0,1,0,0,0,0|3,0,0]=4 3471 B17R2.5669 CC(O)CNCc1cc2ccccc2cn1 2230a_100000210904_100009869231 [0,1,0,0,0,0|3,0,0]=4 3472 B17R2.5669 CC(O)CNCc1cc2ccccc2cn1 270004a_100000210904_100000059776 [0,1,0,0,0,0|3,0,0]=4 3473 B17R2.5669 CC(O)CNCc1cc2ccccc2cn1 34a_100000210904_100009869231 [0,1,0,0,0,0|3,0,0]=4 3474 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 207a_100000210904_100000211584 [0,1,0,0,0,0|2,0,0]=3 3475 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 2230a_100000210904_100011216711 [0,1,0,0,0,0|2,0,0]=3 3476 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 2230a_100000739491_100011218427 [0,1,0,0,0,0|2,0,0]=3 3477 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 270004a_100000210904_100000211584 [0,1,0,0,0,0|2,0,0]=3 3478 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 34a_100000210904_100011216711 [0,1,0,0,0,0|2,0,0]=3 3479 B17R2.5669 CC(O)CNCc1ccc2ccccc2c1 34a_100000739491_100011218427 [0,1,0,0,0,0|2,0,0]=3 3480 B17R2.5669 CC(O)CNCc1ccc2ccccc2n1 207a_100000210904_100000759686 [0,1,0,0,0,0|3,0,0]=4 3481 B17R2.5669 CC(O)CNCc1ccc2ccccc2n1 2230a_100000210904_100000737579 [0,1,0,0,0,0|3,0,0]=4 3482 B17R2.5669 CC(O)CNCc1ccc2ccccc2n1 270004a_100000210904_100000759686 [0,1,0,0,0,0|3,0,0]=4 3483 B17R2.5669 CC(O)CNCc1ccc2ccccc2n1 34a_100000210904_100000737579 [0,1,0,0,0,0|3,0,0]=4 3484 B17R2.5669 CC(O)CNCc1ccc2cccnc2c1 207a_100000210904_100011784159 [0,1,0,0,0,0|3,0,0]=4 3485 B17R2.5669 CC(O)CNCc1ccc2cccnc2c1 270004a_100000210904_100011784159 [0,1,0,0,0,0|3,0,0]=4 3486 B17R2.5669 CC(O)CNCc1ccc2cnccc2c1 207a_100000210904_100000068276 [0,1,0,0,0,0|3,0,0]=4 3487 B17R2.5669 CC(O)CNCc1ccc2cnccc2c1 2230a_100000210904_100020605334 [0,1,0,0,0,0|3,0,0]=4 3488 B17R2.5669 CC(O)CNCc1ccc2cnccc2c1 270004a_100000210904_100000068276 [0,1,0,0,0,0|3,0,0]=4 3489 B17R2.5669 CC(O)CNCc1ccc2cnccc2c1 34a_100000210904_100020605334 [0,1,0,0,0,0|3,0,0]=4 3490 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 207a_100000210904_100000211315 [0,1,0,0,0,0|3,0,0]=4 3491 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 2230a_100000210904_100000703657 [0,1,0,0,0,0|3,0,0]=4 3492 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 270004a_100000210904_100000211315 [0,1,0,0,0,0|3,0,0]=4 3493 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 34a_100000210904_100000703657 [0,1,0,0,0,0|3,0,0]=4 3494 B17R2.5669 CC(O)CNCc1ccc2ncccc2c1 34a_100000238500_100011218427 [0,1,0,0,0,0|3,0,0]=4 3495 B17R2.5669 CC(O)CNCc1cnc2ccccc2c1 207a_100000210904_100000750898 [0,1,0,0,0,0|3,0,0]=4 3496 B17R2.5669 CC(O)CNCc1cnc2ccccc2c1 270004a_100000210904_100000750898 [0,1,0,0,0,0|3,0,0]=4 3497 B17R2.5669 CC(O)CNCc1cnc2ccccc2c1 34a_100000742225_100011218427 [0,1,0,0,0,0|3,0,0]=4 3498 B17R2.5669 CC(O)COCc1ccc2ccccc2c1 34a_100011215330_100011218427 [0,1,0,0,0,0|2,0,0]=3 3499 B17R2.5669 CC(O)COCc1ccc2ccccc2c1 7a_100011215330_100011218427 [0,1,0,0,0,0|2,0,0]=3 3500 B17R2.5669 CC(O)COCc1ccc2ncccc2c1 34a_100011315636_100011218427 [0,1,0,0,0,0|3,0,0]=4 3501 B17R2.5669 CC(O)COCc1cnc2ccccc2c1 34a_100011258773_100011218427 [0,1,0,0,0,0|3,0,0]=4 3502 B17R2.5669 CC(O)CSCc1cc2ccccc2cn1 62a_100009869231_100011218427 [0,1,0,0,0,0|3,0,0]=4 3503 B17R2.5669 CC(O)CSCc1cc2ccccc2cn1 62a_100011218427_100009869231 [0,1,0,0,0,0|3,0,0]=4 3504 B17R2.5669 CC(O)CSCc1ccc2ccccc2c1 62a_100011216711_100011218427 [0,1,0,0,0,0|2,0,0]=3 3505 B17R2.5669 CC(O)CSCc1ccc2ccccc2c1 62a_100011218427_100011216711 [0,1,0,0,0,0|2,0,0]=3 3506 B17R2.5669 CC(O)CSCc1ccc2ccccc2n1 62a_100000737579_100011218427 [0,1,0,0,0,0|3,0,0]=4 3507 B17R2.5669 CC(O)CSCc1ccc2ccccc2n1 62a_100011218427_100000737579 [0,1,0,0,0,0|3,0,0]=4 3508 B17R2.5669 CC(O)CSCc1ccc2cnccc2c1 62a_100011218427_100020605334 [0,1,0,0,0,0|3,0,0]=4 3509 B17R2.5669 CC(O)CSCc1ccc2cnccc2c1 62a_100020605334_100011218427 [0,1,0,0,0,0|3,0,0]=4 3510 B17R2.5669 CC(O)CSCc1ccc2ncccc2c1 62a_100000703657_100011218427 [0,1,0,0,0,0|3,0,0]=4 3511 B17R2.5669 CC(O)CSCc1ccc2ncccc2c1 62a_100011218427_100000703657 [0,1,0,0,0,0|3,0,0]=4 3512 B17R2.5669 CN(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000755713 [0,1,0,0,0,0|2,0,0]=3 3513 B17R2.5669 CN(C)CCNc1ccc2ccccc2n1 27a_100000210585_100011291633 [0,1,0,0,0,0|3,0,0]=4 3514 B17R2.5669 CN(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000755713 [0,1,0,0,0,0|1,0,0]=2 3515 B17R2.5669 CN(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000755713 [0,1,0,0,0,0|2,0,0]=3 3516 B17R2.5669 CN(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000755713 [0,1,0,0,0,0|2,0,0]=3 3517 B17R2.5669 CN(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000755713 [0,1,0,0,0,0|2,0,0]=3 3518 B17R2.5669 CN(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000755713 [0,1,0,0,0,0|2,0,0]=3 3519 B17R2.5669 CN(C)CCSc1cc2ccccc2cn1 62a_100009816522_100000755713 [0,1,0,0,0,0|2,1,0]=4 3520 B17R2.5669 CN(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000755713 [0,1,0,0,0,0|2,1,0]=4 3521 B17R2.5669 CN(C)CCSc1ccc2ccncc2c1 62a_100000686496_100000755713 [0,1,0,0,0,0|2,1,0]=4 3522 B17R2.5669 CN(C)CCSc1ccc2cnccc2c1 62a_100009816743_100000755713 [0,1,0,0,0,0|2,1,0]=4 3523 B17R2.5669 CN(C)CCSc1ccc2ncccc2c1 62a_100011215947_100000755713 [0,1,0,0,0,0|2,1,0]=4 3524 B17R2.5669 C[C@@H](Cl)COCc1cc2ccccc2cn1 34a_100016084084_100009869231 [0,1,0,0,0,0|3,0,0]=4 3525 B17R2.5669 C[C@@H](Cl)COCc1ccc2ccccc2c1 34a_100016084084_100011216711 [0,1,0,0,0,0|2,0,0]=3 3526 B17R2.5669 C[C@@H](Cl)COCc1ccc2ccccc2n1 34a_100016084084_100000737579 [0,1,0,0,0,0|3,0,0]=4 3527 B17R2.5669 C[C@@H](Cl)COCc1ccc2cnccc2c1 34a_100016084084_100020605334 [0,1,0,0,0,0|3,0,0]=4 3528 B17R2.5669 C[C@@H](Cl)COCc1ccc2ncccc2c1 34a_100016084084_100000703657 [0,1,0,0,0,0|3,0,0]=4 3529 B17R2.5669 C[C@@H](N)COCc1cc2ccccc2cn1 34a_100000737577_100009869231 [0,1,0,0,0,0|3,0,0]=4 3530 B17R2.5669 C[C@@H](N)COCc1ccc2ccccc2c1 34a_100000737577_100011216711 [0,1,0,0,0,0|2,0,0]=3 3531 B17R2.5669 C[C@@H](N)COCc1ccc2ccccc2n1 34a_100000737577_100000737579 [0,1,0,0,0,0|3,0,0]=4 3532 B17R2.5669 C[C@@H](N)COCc1ccc2cnccc2c1 34a_100000737577_100020605334 [0,1,0,0,0,0|3,0,0]=4 3533 B17R2.5669 C[C@@H](N)COCc1ccc2ncccc2c1 34a_100000737577_100000703657 [0,1,0,0,0,0|3,0,0]=4 3534 B17R2.5669 C[C@@H](O)CNCc1ccc2ccccc2c1 2230a_100000739491_100009817552 [0,1,0,0,0,0|2,0,0]=3 3535 B17R2.5669 C[C@@H](O)CNCc1ccc2ccccc2c1 34a_100000739491_100009817552 [0,1,0,0,0,0|2,0,0]=3 3536 B17R2.5669 C[C@@H](O)CNCc1ccc2ncccc2c1 34a_100000238500_100009817552 [0,1,0,0,0,0|3,0,0]=4 3537 B17R2.5669 C[C@@H](O)CNCc1cnc2ccccc2c1 34a_100000742225_100009817552 [0,1,0,0,0,0|3,0,0]=4 3538 B17R2.5669 C[C@@H](O)COCc1ccc2ccccc2c1 34a_100011215330_100009817552 [0,1,0,0,0,0|2,0,0]=3 3539 B17R2.5669 C[C@@H](O)COCc1ccc2ccccc2c1 7a_100011215330_100009817552 [0,1,0,0,0,0|2,0,0]=3 3540 B17R2.5669 C[C@@H](O)COCc1ccc2ncccc2c1 34a_100011315636_100009817552 [0,1,0,0,0,0|3,0,0]=4 3541 B17R2.5669 C[C@@H](O)COCc1cnc2ccccc2c1 34a_100011258773_100009817552 [0,1,0,0,0,0|3,0,0]=4 3542 B17R2.5669 C[C@@H](O)CSCc1cc2ccccc2cn1 62a_100009817552_100009869231 [0,1,0,0,0,0|3,0,0]=4 3543 B17R2.5669 C[C@@H](O)CSCc1cc2ccccc2cn1 62a_100009869231_100009817552 [0,1,0,0,0,0|3,0,0]=4 3544 B17R2.5669 C[C@@H](O)CSCc1ccc2ccccc2c1 62a_100009817552_100011216711 [0,1,0,0,0,0|2,0,0]=3 3545 B17R2.5669 C[C@@H](O)CSCc1ccc2ccccc2c1 62a_100011216711_100009817552 [0,1,0,0,0,0|2,0,0]=3 3546 B17R2.5669 C[C@@H](O)CSCc1ccc2ccccc2n1 62a_100000737579_100009817552 [0,1,0,0,0,0|3,0,0]=4 3547 B17R2.5669 C[C@@H](O)CSCc1ccc2ccccc2n1 62a_100009817552_100000737579 [0,1,0,0,0,0|3,0,0]=4 3548 B17R2.5669 C[C@@H](O)CSCc1ccc2cnccc2c1 62a_100009817552_100020605334 [0,1,0,0,0,0|3,0,0]=4 3549 B17R2.5669 C[C@@H](O)CSCc1ccc2cnccc2c1 62a_100020605334_100009817552 [0,1,0,0,0,0|3,0,0]=4 3550 B17R2.5669 C[C@@H](O)CSCc1ccc2ncccc2c1 62a_100000703657_100009817552 [0,1,0,0,0,0|3,0,0]=4 3551 B17R2.5669 C[C@@H](O)CSCc1ccc2ncccc2c1 62a_100009817552_100000703657 [0,1,0,0,0,0|3,0,0]=4 3552 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 207a_100000765723_100000211584 [0,1,0,0,0,0|3,0,0]=4 3553 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 2230a_100000739491_100011934356 [0,1,0,0,0,0|3,0,0]=4 3554 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 270004a_100000765723_100000211584 [0,1,0,0,0,0|3,0,0]=4 3555 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 34a_100000739491_100011934356 [0,1,0,0,0,0|3,0,0]=4 3556 B17R2.5669 FC(F)CNCc1ccc2ccccc2c1 34a_100000765723_100011216711 [0,1,0,0,0,0|3,0,0]=4 3557 B17R2.5669 FC(F)COCc1ccc2ccccc2c1 34a_100000743014_100011216711 [0,1,0,0,0,0|3,0,0]=4 3558 B17R2.5669 FC(F)COCc1ccc2ccccc2c1 34a_100011215330_100011934356 [0,1,0,0,0,0|3,0,0]=4 3559 B17R2.5669 FC(F)COCc1ccc2ccccc2c1 7a_100011215330_100011934356 [0,1,0,0,0,0|3,0,0]=4 3560 B17R2.5669 FC(F)CSCc1ccc2ccccc2c1 62a_100011216711_100011934356 [0,1,0,0,0,0|3,0,0]=4 3561 B17R2.5669 FC(F)CSCc1ccc2ccccc2c1 62a_100011934356_100011216711 [0,1,0,0,0,0|3,0,0]=4 3562 B17R2.5669 NC(=O)CCNc1ccc2ccccc2c1 34a_100000211940_100000731001 [0,1,0,0,0,0|2,0,1]=4 3563 B17R2.5669 NC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000744528 [0,1,0,0,0,0|2,0,1]=4 3564 B17R2.5669 NC(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100000731001 [0,1,0,0,0,0|1,0,1]=3 3565 B17R2.5669 NC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000744528 [0,1,0,0,0,0|1,0,1]=3 3566 B17R2.5669 NC(=O)CCOc1ccc2cccnc2c1 34a_100011216045_100000731001 [0,1,0,0,0,0|2,0,1]=4 3567 B17R2.5669 NC(=O)CCOc1ccc2ccncc2c1 7a_100000752006_100000744528 [0,1,0,0,0,0|2,0,1]=4 3568 B17R2.5669 NC(=O)CCOc1ccc2cnccc2c1 34a_100000046372_100000731001 [0,1,0,0,0,0|2,0,1]=4 3569 B17R2.5669 NC(=O)CCOc1ccc2cnccc2c1 7a_100000046372_100000744528 [0,1,0,0,0,0|2,0,1]=4 3570 B17R2.5669 NC(=O)CCOc1ccc2ncccc2c1 34a_100011215586_100000731001 [0,1,0,0,0,0|2,0,1]=4 3571 B17R2.5669 NC(=O)CCOc1ccc2ncccc2c1 7a_100011215586_100000744528 [0,1,0,0,0,0|2,0,1]=4 3572 B17R2.5669 NC(=O)CCOc1cnc2ccccc2c1 34a_100011934006_100000731001 [0,1,0,0,0,0|2,0,1]=4 3573 B17R2.5669 NC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000744528 [0,1,0,0,0,0|2,0,1]=4 3574 B17R2.5669 NC(=O)CCSc1ccc2ccccc2c1 62a_100000744528_100000233703 [0,1,0,0,0,0|1,1,1]=4 3575 B17R2.5669 [13CH3]C(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_200025704644 [0,1,0,0,0,0|1,0,1]=3 3576 B17R2.5669 [13CH3]C(=O)CCSc1ccc2ccccc2c1 1458a_200000208815_200025704644 [0,1,0,0,0,0|0,1,1]=3 3577 B17R2.5879 BrCCCOCc1cc2ccccc2cn1 34a_100011217188_100009869231 [0,1,0,0,0,0|2,0,0]=3 3578 B17R2.5879 BrCCCOCc1ccc2ccccc2c1 34a_100011217188_100011216711 [0,1,0,0,0,0|1,0,0]=2 3579 B17R2.5879 BrCCCOCc1ccc2ccccc2n1 34a_100011217188_100000737579 [0,1,0,0,0,0|2,0,0]=3 3580 B17R2.5879 BrCCCOCc1ccc2cnccc2c1 34a_100011217188_100020605334 [0,1,0,0,0,0|2,0,0]=3 3581 B17R2.5879 BrCCCOCc1ccc2ncccc2c1 34a_100011217188_100000703657 [0,1,0,0,0,0|2,0,0]=3 3582 B17R2.5879 BrCCCOCc1ncc2ccccc2n1 34a_100011217188_100009868571 [0,1,0,0,0,0|3,0,0]=4 3583 B17R2.5879 C#CCCCNc1ccc2ccccc2c1 34a_100000211940_100000695029 [0,1,0,0,0,0|1,0,1]=3 3584 B17R2.5879 C#CCCCNc1ccc2ccccc2c1 7a_100000211940_100011215417 [0,1,0,0,0,0|1,0,1]=3 3585 B17R2.5879 C#CCCCNc1ccc2ccccc2n1 27a_100000718082_100011291633 [0,1,0,0,0,0|2,0,1]=4 3586 B17R2.5879 C#CCCCNc1ccc2cccnc2c1 34a_100102887122_100000695029 [0,1,0,0,0,0|2,0,1]=4 3587 B17R2.5879 C#CCCCNc1ccc2cnccc2c1 34a_100000039641_100000695029 [0,1,0,0,0,0|2,0,1]=4 3588 B17R2.5879 C#CCCCNc1ccc2ncccc2c1 34a_100011198106_100000695029 [0,1,0,0,0,0|2,0,1]=4 3589 B17R2.5879 C#CCCCOc1ccc2ccccc2c1 34a_100000185828_100000695029 [0,1,0,0,0,0|0,0,1]=2 3590 B17R2.5879 C#CCCCOc1ccc2ccccc2c1 7a_100000185828_100011215417 [0,1,0,0,0,0|0,0,1]=2 3591 B17R2.5879 C#CCCCOc1ccc2cccnc2c1 34a_100011216045_100000695029 [0,1,0,0,0,0|1,0,1]=3 3592 B17R2.5879 C#CCCCOc1ccc2ccncc2c1 7a_100000752006_100011215417 [0,1,0,0,0,0|1,0,1]=3 3593 B17R2.5879 C#CCCCOc1ccc2cnccc2c1 34a_100000046372_100000695029 [0,1,0,0,0,0|1,0,1]=3 3594 B17R2.5879 C#CCCCOc1ccc2cnccc2c1 7a_100000046372_100011215417 [0,1,0,0,0,0|1,0,1]=3 3595 B17R2.5879 C#CCCCOc1ccc2ncccc2c1 34a_100011215586_100000695029 [0,1,0,0,0,0|1,0,1]=3 3596 B17R2.5879 C#CCCCOc1ccc2ncccc2c1 7a_100011215586_100011215417 [0,1,0,0,0,0|1,0,1]=3 3597 B17R2.5879 C#CCCCOc1ccc2nccnc2c1 34a_100000694412_100000695029 [0,1,0,0,0,0|2,0,1]=4 3598 B17R2.5879 C#CCCCOc1cnc2ccccc2c1 34a_100011934006_100000695029 [0,1,0,0,0,0|1,0,1]=3 3599 B17R2.5879 C#CCCCOc1cnc2ccccc2c1 7a_100011934006_100011215417 [0,1,0,0,0,0|1,0,1]=3 3600 B17R2.5879 C#CCCCSc1cc2ccccc2cn1 62a_100009816522_100011215417 [0,1,0,0,0,0|1,1,1]=4 3601 B17R2.5879 C#CCCCSc1cc2ccccc2cn1 62a_100011215417_100000047361 [0,1,0,0,0,0|1,1,1]=4 3602 B17R2.5879 C#CCCCSc1ccc2ccccc2c1 62a_100011215417_100000233703 [0,1,0,0,0,0|0,1,1]=3 3603 B17R2.5879 C#CCCCSc1ccc2ccccc2n1 62a_100011215417_100011291633 [0,1,0,0,0,0|1,1,1]=4 3604 B17R2.5879 C#CCCCSc1ccc2ccccc2n1 62a_100011291633_100011215417 [0,1,0,0,0,0|1,1,1]=4 3605 B17R2.5879 C#CCCCSc1ccc2cccnc2c1 62a_100011215417_100009816655 [0,1,0,0,0,0|1,1,1]=4 3606 B17R2.5879 C#CCCCSc1ccc2ccncc2c1 62a_100000686496_100011215417 [0,1,0,0,0,0|1,1,1]=4 3607 B17R2.5879 C#CCCCSc1ccc2ccncc2c1 62a_100011215417_100000686496 [0,1,0,0,0,0|1,1,1]=4 3608 B17R2.5879 C#CCCCSc1ccc2cnccc2c1 62a_100009816743_100011215417 [0,1,0,0,0,0|1,1,1]=4 3609 B17R2.5879 C#CCCCSc1ccc2cnccc2c1 62a_100011215417_100009816743 [0,1,0,0,0,0|1,1,1]=4 3610 B17R2.5879 C#CCCCSc1ccc2ncccc2c1 62a_100011215417_100011215947 [0,1,0,0,0,0|1,1,1]=4 3611 B17R2.5879 C#CCCCSc1ccc2ncccc2c1 62a_100011215947_100011215417 [0,1,0,0,0,0|1,1,1]=4 3612 B17R2.5879 C#CCCCSc1cnc2ccccc2c1 62a_100011215417_100000737414 [0,1,0,0,0,0|1,1,1]=4 3613 B17R2.5879 C#CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000688953 [0,1,0,0,0,0|1,0,2]=4 3614 B17R2.5879 C#CCCNCc1ccc2ccccc2c1 34a_100000739491_100000688953 [0,1,0,0,0,0|1,0,2]=4 3615 B17R2.5879 C#CCCNCc1ccc2ccccc2c1 34a_100000755551_100011216711 [0,1,0,0,0,0|1,0,2]=4 3616 B17R2.5879 C#CCCOCc1cc2ccccc2cn1 34a_100011215631_100009869231 [0,1,0,0,0,0|1,0,2]=4 3617 B17R2.5879 C#CCCOCc1ccc2ccccc2c1 34a_100011215330_100000688953 [0,1,0,0,0,0|0,0,2]=3 3618 B17R2.5879 C#CCCOCc1ccc2ccccc2c1 34a_100011215631_100011216711 [0,1,0,0,0,0|0,0,2]=3 3619 B17R2.5879 C#CCCOCc1ccc2ccccc2c1 7a_100011215330_100000688953 [0,1,0,0,0,0|0,0,2]=3 3620 B17R2.5879 C#CCCOCc1ccc2ccccc2n1 34a_100011215631_100000737579 [0,1,0,0,0,0|1,0,2]=4 3621 B17R2.5879 C#CCCOCc1ccc2cnccc2c1 34a_100011215631_100020605334 [0,1,0,0,0,0|1,0,2]=4 3622 B17R2.5879 C#CCCOCc1ccc2ncccc2c1 34a_100011215631_100000703657 [0,1,0,0,0,0|1,0,2]=4 3623 B17R2.5879 C#CCCOCc1ccc2ncccc2c1 34a_100011315636_100000688953 [0,1,0,0,0,0|1,0,2]=4 3624 B17R2.5879 C#CCCOCc1cnc2ccccc2c1 34a_100011258773_100000688953 [0,1,0,0,0,0|1,0,2]=4 3625 B17R2.5879 C#CCCSCc1ccc2ccccc2c1 62a_100000688953_100011216711 [0,1,0,0,0,0|0,1,2]=4 3626 B17R2.5879 C#CCCSCc1ccc2ccccc2c1 62a_100011216711_100000688953 [0,1,0,0,0,0|0,1,2]=4 3627 B17R2.5879 C#CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000038162 [0,1,0,0,0,0|1,0,2]=4 3628 B17R2.5879 C#CCNCCc1ccc2ccccc2c1 34a_100000746582_100000184674 [0,1,0,0,0,0|1,0,2]=4 3629 B17R2.5879 C#CCOCCc1ccc2ccccc2c1 34a_100000755654_100000184674 [0,1,0,0,0,0|1,0,2]=4 3630 B17R2.5879 C#CCOCCc1ccc2ccccc2c1 7a_100000755654_100000038162 [0,1,0,0,0,0|1,0,2]=4 3631 B17R2.5879 C/C=C/CNCc1ccc2ccccc2c1 34a_100000739491_100102629194 [0,1,0,0,0,0|1,0,2]=4 3632 B17R2.5879 C/C=C/COCc1cc2ccccc2cn1 34a_100016270725_100009869231 [0,1,0,0,0,0|1,0,2]=4 3633 B17R2.5879 C/C=C/COCc1ccc2ccccc2c1 34a_100011215330_100102629194 [0,1,0,0,0,0|0,0,2]=3 3634 B17R2.5879 C/C=C/COCc1ccc2ccccc2c1 34a_100016270725_100011216711 [0,1,0,0,0,0|0,0,2]=3 3635 B17R2.5879 C/C=C/COCc1ccc2ccccc2c1 7a_100011215330_100102629194 [0,1,0,0,0,0|0,0,2]=3 3636 B17R2.5879 C/C=C/COCc1ccc2ccccc2n1 34a_100016270725_100000737579 [0,1,0,0,0,0|1,0,2]=4 3637 B17R2.5879 C/C=C/COCc1ccc2cnccc2c1 34a_100016270725_100020605334 [0,1,0,0,0,0|1,0,2]=4 3638 B17R2.5879 C/C=C/COCc1ccc2ncccc2c1 34a_100011315636_100102629194 [0,1,0,0,0,0|1,0,2]=4 3639 B17R2.5879 C/C=C/COCc1ccc2ncccc2c1 34a_100016270725_100000703657 [0,1,0,0,0,0|1,0,2]=4 3640 B17R2.5879 C/C=C/COCc1cnc2ccccc2c1 34a_100011258773_100102629194 [0,1,0,0,0,0|1,0,2]=4 3641 B17R2.5879 C/C=C/CSCc1ccc2ccccc2c1 62a_100011216711_100102629194 [0,1,0,0,0,0|0,1,2]=4 3642 B17R2.5879 C/C=C/CSCc1ccc2ccccc2c1 62a_100102629194_100011216711 [0,1,0,0,0,0|0,1,2]=4 3643 B17R2.5879 C=CCCCNc1ccc2ccccc2c1 34a_100000211940_100000757094 [0,1,0,0,0,0|1,0,1]=3 3644 B17R2.5879 C=CCCCNc1ccc2ccccc2c1 7a_100000211940_100000757094 [0,1,0,0,0,0|1,0,1]=3 3645 B17R2.5879 C=CCCCNc1ccc2ccccc2n1 27a_100000700776_100011291633 [0,1,0,0,0,0|2,0,1]=4 3646 B17R2.5879 C=CCCCNc1ccc2cccnc2c1 34a_100102887122_100000757094 [0,1,0,0,0,0|2,0,1]=4 3647 B17R2.5879 C=CCCCNc1ccc2cnccc2c1 34a_100000039641_100000757094 [0,1,0,0,0,0|2,0,1]=4 3648 B17R2.5879 C=CCCCNc1ccc2ncccc2c1 34a_100011198106_100000757094 [0,1,0,0,0,0|2,0,1]=4 3649 B17R2.5879 C=CCCCOc1ccc2ccccc2c1 34a_100000185828_100000757094 [0,1,0,0,0,0|0,0,1]=2 3650 B17R2.5879 C=CCCCOc1ccc2ccccc2c1 7a_100000185828_100000757094 [0,1,0,0,0,0|0,0,1]=2 3651 B17R2.5879 C=CCCCOc1ccc2cccnc2c1 34a_100011216045_100000757094 [0,1,0,0,0,0|1,0,1]=3 3652 B17R2.5879 C=CCCCOc1ccc2ccncc2c1 7a_100000752006_100000757094 [0,1,0,0,0,0|1,0,1]=3 3653 B17R2.5879 C=CCCCOc1ccc2cnccc2c1 34a_100000046372_100000757094 [0,1,0,0,0,0|1,0,1]=3 3654 B17R2.5879 C=CCCCOc1ccc2cnccc2c1 7a_100000046372_100000757094 [0,1,0,0,0,0|1,0,1]=3 3655 B17R2.5879 C=CCCCOc1ccc2ncccc2c1 34a_100011215586_100000757094 [0,1,0,0,0,0|1,0,1]=3 3656 B17R2.5879 C=CCCCOc1ccc2ncccc2c1 7a_100011215586_100000757094 [0,1,0,0,0,0|1,0,1]=3 3657 B17R2.5879 C=CCCCOc1ccc2nccnc2c1 34a_100000694412_100000757094 [0,1,0,0,0,0|2,0,1]=4 3658 B17R2.5879 C=CCCCOc1cnc2ccccc2c1 34a_100011934006_100000757094 [0,1,0,0,0,0|1,0,1]=3 3659 B17R2.5879 C=CCCCOc1cnc2ccccc2c1 7a_100011934006_100000757094 [0,1,0,0,0,0|1,0,1]=3 3660 B17R2.5879 C=CCCCSc1cc2ccccc2cn1 62a_100009816522_100000757094 [0,1,0,0,0,0|1,1,1]=4 3661 B17R2.5879 C=CCCCSc1cc2ccccc2cn1 62a_100011713584_100000047361 [0,1,0,0,0,0|1,1,1]=4 3662 B17R2.5879 C=CCCCSc1ccc2ccccc2c1 62a_100011713584_100000233703 [0,1,0,0,0,0|0,1,1]=3 3663 B17R2.5879 C=CCCCSc1ccc2ccccc2n1 62a_100011291633_100000757094 [0,1,0,0,0,0|1,1,1]=4 3664 B17R2.5879 C=CCCCSc1ccc2ccccc2n1 62a_100011713584_100011291633 [0,1,0,0,0,0|1,1,1]=4 3665 B17R2.5879 C=CCCCSc1ccc2cccnc2c1 62a_100011713584_100009816655 [0,1,0,0,0,0|1,1,1]=4 3666 B17R2.5879 C=CCCCSc1ccc2ccncc2c1 62a_100000686496_100000757094 [0,1,0,0,0,0|1,1,1]=4 3667 B17R2.5879 C=CCCCSc1ccc2ccncc2c1 62a_100011713584_100000686496 [0,1,0,0,0,0|1,1,1]=4 3668 B17R2.5879 C=CCCCSc1ccc2cnccc2c1 62a_100009816743_100000757094 [0,1,0,0,0,0|1,1,1]=4 3669 B17R2.5879 C=CCCCSc1ccc2cnccc2c1 62a_100011713584_100009816743 [0,1,0,0,0,0|1,1,1]=4 3670 B17R2.5879 C=CCCCSc1ccc2ncccc2c1 62a_100011215947_100000757094 [0,1,0,0,0,0|1,1,1]=4 3671 B17R2.5879 C=CCCCSc1ccc2ncccc2c1 62a_100011713584_100011215947 [0,1,0,0,0,0|1,1,1]=4 3672 B17R2.5879 C=CCCCSc1cnc2ccccc2c1 62a_100011713584_100000737414 [0,1,0,0,0,0|1,1,1]=4 3673 B17R2.5879 C=CCCNCc1ccc2ccccc2c1 207a_100015191253_100000211584 [0,1,0,0,0,0|1,0,2]=4 3674 B17R2.5879 C=CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000754431 [0,1,0,0,0,0|1,0,2]=4 3675 B17R2.5879 C=CCCNCc1ccc2ccccc2c1 2230a_100015191253_100011216711 [0,1,0,0,0,0|1,0,2]=4 3676 B17R2.5879 C=CCCNCc1ccc2ccccc2c1 270004a_100015191253_100000211584 [0,1,0,0,0,0|1,0,2]=4 3677 B17R2.5879 C=CCCNCc1ccc2ccccc2c1 34a_100000739491_100000754431 [0,1,0,0,0,0|1,0,2]=4 3678 B17R2.5879 C=CCCOCc1cc2ccccc2cn1 34a_100011205117_100009869231 [0,1,0,0,0,0|1,0,2]=4 3679 B17R2.5879 C=CCCOCc1ccc2ccccc2c1 34a_100011205117_100011216711 [0,1,0,0,0,0|0,0,2]=3 3680 B17R2.5879 C=CCCOCc1ccc2ccccc2c1 34a_100011215330_100000754431 [0,1,0,0,0,0|0,0,2]=3 3681 B17R2.5879 C=CCCOCc1ccc2ccccc2c1 7a_100011215330_100000754431 [0,1,0,0,0,0|0,0,2]=3 3682 B17R2.5879 C=CCCOCc1ccc2ccccc2n1 34a_100011205117_100000737579 [0,1,0,0,0,0|1,0,2]=4 3683 B17R2.5879 C=CCCOCc1ccc2cnccc2c1 34a_100011205117_100020605334 [0,1,0,0,0,0|1,0,2]=4 3684 B17R2.5879 C=CCCOCc1ccc2ncccc2c1 34a_100011205117_100000703657 [0,1,0,0,0,0|1,0,2]=4 3685 B17R2.5879 C=CCCOCc1ccc2ncccc2c1 34a_100011315636_100000754431 [0,1,0,0,0,0|1,0,2]=4 3686 B17R2.5879 C=CCCOCc1cnc2ccccc2c1 34a_100011258773_100000754431 [0,1,0,0,0,0|1,0,2]=4 3687 B17R2.5879 C=CCCSCc1ccc2ccccc2c1 62a_100000754431_100011216711 [0,1,0,0,0,0|0,1,2]=4 3688 B17R2.5879 C=CCCSCc1ccc2ccccc2c1 62a_100011216711_100000754431 [0,1,0,0,0,0|0,1,2]=4 3689 B17R2.5879 C=CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210623 [0,1,0,0,0,0|1,0,2]=4 3690 B17R2.5879 C=CCNCCc1ccc2ccccc2c1 34a_100000746582_100015514636 [0,1,0,0,0,0|1,0,2]=4 3691 B17R2.5879 C=CCOCCc1ccc2ccccc2c1 34a_100000755654_100015514636 [0,1,0,0,0,0|1,0,2]=4 3692 B17R2.5879 C=CCOCCc1ccc2ccccc2c1 7a_100000755654_100015514636 [0,1,0,0,0,0|1,0,2]=4 3693 B17R2.5879 C=COCCNc1ccc2ccccc2c1 34a_100000211940_100000039644 [0,1,0,0,0,0|1,0,2]=4 3694 B17R2.5879 C=COCCNc1ccc2ccccc2c1 7a_100000211940_100000039644 [0,1,0,0,0,0|1,0,2]=4 3695 B17R2.5879 C=COCCOc1ccc2ccccc2c1 34a_100000185828_100000039644 [0,1,0,0,0,0|0,0,2]=3 3696 B17R2.5879 C=COCCOc1ccc2ccccc2c1 7a_100000185828_100000039644 [0,1,0,0,0,0|0,0,2]=3 3697 B17R2.5879 C=COCCOc1ccc2cccnc2c1 34a_100011216045_100000039644 [0,1,0,0,0,0|1,0,2]=4 3698 B17R2.5879 C=COCCOc1ccc2ccncc2c1 7a_100000752006_100000039644 [0,1,0,0,0,0|1,0,2]=4 3699 B17R2.5879 C=COCCOc1ccc2cnccc2c1 34a_100000046372_100000039644 [0,1,0,0,0,0|1,0,2]=4 3700 B17R2.5879 C=COCCOc1ccc2cnccc2c1 7a_100000046372_100000039644 [0,1,0,0,0,0|1,0,2]=4 3701 B17R2.5879 C=COCCOc1ccc2ncccc2c1 34a_100011215586_100000039644 [0,1,0,0,0,0|1,0,2]=4 3702 B17R2.5879 C=COCCOc1ccc2ncccc2c1 7a_100011215586_100000039644 [0,1,0,0,0,0|1,0,2]=4 3703 B17R2.5879 C=COCCOc1cnc2ccccc2c1 34a_100011934006_100000039644 [0,1,0,0,0,0|1,0,2]=4 3704 B17R2.5879 C=COCCOc1cnc2ccccc2c1 7a_100011934006_100000039644 [0,1,0,0,0,0|1,0,2]=4 3705 B17R2.5879 C=COCCSc1ccc2ccccc2c1 62a_100000039644_100000233703 [0,1,0,0,0,0|0,1,2]=4 3706 B17R2.5879 CC#CCNCc1ccc2ccccc2c1 2230a_100000685387_100011216711 [0,1,0,0,0,0|1,0,2]=4 3707 B17R2.5879 CC#CCNCc1ccc2ccccc2c1 2230a_100000739491_100000748600 [0,1,0,0,0,0|1,0,2]=4 3708 B17R2.5879 CC#CCNCc1ccc2ccccc2c1 34a_100000685387_100011216711 [0,1,0,0,0,0|1,0,2]=4 3709 B17R2.5879 CC#CCNCc1ccc2ccccc2c1 34a_100000739491_100000748600 [0,1,0,0,0,0|1,0,2]=4 3710 B17R2.5879 CC#CCOCc1cc2ccccc2cn1 34a_100000761923_100009869231 [0,1,0,0,0,0|1,0,2]=4 3711 B17R2.5879 CC#CCOCc1ccc2ccccc2c1 34a_100000761923_100011216711 [0,1,0,0,0,0|0,0,2]=3 3712 B17R2.5879 CC#CCOCc1ccc2ccccc2c1 34a_100011215330_100000748600 [0,1,0,0,0,0|0,0,2]=3 3713 B17R2.5879 CC#CCOCc1ccc2ccccc2c1 7a_100011215330_100000748600 [0,1,0,0,0,0|0,0,2]=3 3714 B17R2.5879 CC#CCOCc1ccc2ccccc2n1 34a_100000761923_100000737579 [0,1,0,0,0,0|1,0,2]=4 3715 B17R2.5879 CC#CCOCc1ccc2cnccc2c1 34a_100000761923_100020605334 [0,1,0,0,0,0|1,0,2]=4 3716 B17R2.5879 CC#CCOCc1ccc2ncccc2c1 34a_100000761923_100000703657 [0,1,0,0,0,0|1,0,2]=4 3717 B17R2.5879 CC#CCOCc1ccc2ncccc2c1 34a_100011315636_100000748600 [0,1,0,0,0,0|1,0,2]=4 3718 B17R2.5879 CC#CCOCc1cnc2ccccc2c1 34a_100011258773_100000748600 [0,1,0,0,0,0|1,0,2]=4 3719 B17R2.5879 CC#CCSCc1ccc2ccccc2c1 62a_100000748600_100011216711 [0,1,0,0,0,0|0,1,2]=4 3720 B17R2.5879 CC#CCSCc1ccc2ccccc2c1 62a_100011216711_100000748600 [0,1,0,0,0,0|0,1,2]=4 3721 B17R2.5879 CC/C=C\CNc1ccc2ccccc2c1 34a_100000211940_100103147603 [0,1,0,0,0,0|1,0,1]=3 3722 B17R2.5879 CC/C=C\CNc1ccc2ccccc2c1 7a_100000211940_100103147603 [0,1,0,0,0,0|1,0,1]=3 3723 B17R2.5879 CC/C=C\CNc1ccc2cccnc2c1 34a_100102887122_100103147603 [0,1,0,0,0,0|2,0,1]=4 3724 B17R2.5879 CC/C=C\CNc1ccc2cnccc2c1 34a_100000039641_100103147603 [0,1,0,0,0,0|2,0,1]=4 3725 B17R2.5879 CC/C=C\CNc1ccc2ncccc2c1 34a_100011198106_100103147603 [0,1,0,0,0,0|2,0,1]=4 3726 B17R2.5879 CC/C=C\COc1ccc2ccccc2c1 34a_100000185828_100103147603 [0,1,0,0,0,0|0,0,1]=2 3727 B17R2.5879 CC/C=C\COc1ccc2ccccc2c1 7a_100000185828_100103147603 [0,1,0,0,0,0|0,0,1]=2 3728 B17R2.5879 CC/C=C\COc1ccc2cccnc2c1 34a_100011216045_100103147603 [0,1,0,0,0,0|1,0,1]=3 3729 B17R2.5879 CC/C=C\COc1ccc2ccncc2c1 7a_100000752006_100103147603 [0,1,0,0,0,0|1,0,1]=3 3730 B17R2.5879 CC/C=C\COc1ccc2cnccc2c1 34a_100000046372_100103147603 [0,1,0,0,0,0|1,0,1]=3 3731 B17R2.5879 CC/C=C\COc1ccc2cnccc2c1 7a_100000046372_100103147603 [0,1,0,0,0,0|1,0,1]=3 3732 B17R2.5879 CC/C=C\COc1ccc2ncccc2c1 34a_100011215586_100103147603 [0,1,0,0,0,0|1,0,1]=3 3733 B17R2.5879 CC/C=C\COc1ccc2ncccc2c1 7a_100011215586_100103147603 [0,1,0,0,0,0|1,0,1]=3 3734 B17R2.5879 CC/C=C\COc1ccc2nccnc2c1 34a_100000694412_100103147603 [0,1,0,0,0,0|2,0,1]=4 3735 B17R2.5879 CC/C=C\COc1cnc2ccccc2c1 34a_100011934006_100103147603 [0,1,0,0,0,0|1,0,1]=3 3736 B17R2.5879 CC/C=C\COc1cnc2ccccc2c1 7a_100011934006_100103147603 [0,1,0,0,0,0|1,0,1]=3 3737 B17R2.5879 CC/C=C\CSc1cc2ccccc2cn1 62a_100009816522_100103147603 [0,1,0,0,0,0|1,1,1]=4 3738 B17R2.5879 CC/C=C\CSc1cc2ccccc2cn1 62a_100103147603_100000047361 [0,1,0,0,0,0|1,1,1]=4 3739 B17R2.5879 CC/C=C\CSc1ccc2ccccc2c1 62a_100103147603_100000233703 [0,1,0,0,0,0|0,1,1]=3 3740 B17R2.5879 CC/C=C\CSc1ccc2ccccc2n1 62a_100011291633_100103147603 [0,1,0,0,0,0|1,1,1]=4 3741 B17R2.5879 CC/C=C\CSc1ccc2ccccc2n1 62a_100103147603_100011291633 [0,1,0,0,0,0|1,1,1]=4 3742 B17R2.5879 CC/C=C\CSc1ccc2cccnc2c1 62a_100103147603_100009816655 [0,1,0,0,0,0|1,1,1]=4 3743 B17R2.5879 CC/C=C\CSc1ccc2ccncc2c1 62a_100000686496_100103147603 [0,1,0,0,0,0|1,1,1]=4 3744 B17R2.5879 CC/C=C\CSc1ccc2ccncc2c1 62a_100103147603_100000686496 [0,1,0,0,0,0|1,1,1]=4 3745 B17R2.5879 CC/C=C\CSc1ccc2cnccc2c1 62a_100009816743_100103147603 [0,1,0,0,0,0|1,1,1]=4 3746 B17R2.5879 CC/C=C\CSc1ccc2cnccc2c1 62a_100103147603_100009816743 [0,1,0,0,0,0|1,1,1]=4 3747 B17R2.5879 CC/C=C\CSc1ccc2ncccc2c1 62a_100011215947_100103147603 [0,1,0,0,0,0|1,1,1]=4 3748 B17R2.5879 CC/C=C\CSc1ccc2ncccc2c1 62a_100103147603_100011215947 [0,1,0,0,0,0|1,1,1]=4 3749 B17R2.5879 CC/C=C\CSc1cnc2ccccc2c1 62a_100103147603_100000737414 [0,1,0,0,0,0|1,1,1]=4 3750 B17R2.5879 CC=CCNCc1ccc2ccccc2c1 2230a_100000739491_100000070051 [0,1,0,0,0,0|1,0,2]=4 3751 B17R2.5879 CC=CCNCc1ccc2ccccc2c1 34a_100000739491_100000070051 [0,1,0,0,0,0|1,0,2]=4 3752 B17R2.5879 CC=CCOCc1ccc2ccccc2c1 34a_100011215330_100000070051 [0,1,0,0,0,0|0,0,2]=3 3753 B17R2.5879 CC=CCOCc1ccc2ccccc2c1 7a_100011215330_100000070051 [0,1,0,0,0,0|0,0,2]=3 3754 B17R2.5879 CC=CCOCc1ccc2ncccc2c1 34a_100011315636_100000070051 [0,1,0,0,0,0|1,0,2]=4 3755 B17R2.5879 CC=CCOCc1cnc2ccccc2c1 34a_100011258773_100000070051 [0,1,0,0,0,0|1,0,2]=4 3756 B17R2.5879 CC=CCSCc1ccc2ccccc2c1 62a_100000070051_100011216711 [0,1,0,0,0,0|0,1,2]=4 3757 B17R2.5879 CC=CCSCc1ccc2ccccc2c1 62a_100011216711_100000070051 [0,1,0,0,0,0|0,1,2]=4 3758 B17R2.5879 CCC#CCNc1ccc2ccccc2c1 34a_100000211940_100009813939 [0,1,0,0,0,0|1,0,1]=3 3759 B17R2.5879 CCC#CCNc1ccc2ccccc2c1 7a_100000211940_100009813939 [0,1,0,0,0,0|1,0,1]=3 3760 B17R2.5879 CCC#CCNc1ccc2cccnc2c1 34a_100102887122_100009813939 [0,1,0,0,0,0|2,0,1]=4 3761 B17R2.5879 CCC#CCNc1ccc2cnccc2c1 34a_100000039641_100009813939 [0,1,0,0,0,0|2,0,1]=4 3762 B17R2.5879 CCC#CCNc1ccc2ncccc2c1 34a_100011198106_100009813939 [0,1,0,0,0,0|2,0,1]=4 3763 B17R2.5879 CCC#CCOc1ccc2ccccc2c1 34a_100000185828_100009813939 [0,1,0,0,0,0|0,0,1]=2 3764 B17R2.5879 CCC#CCOc1ccc2ccccc2c1 7a_100000185828_100009813939 [0,1,0,0,0,0|0,0,1]=2 3765 B17R2.5879 CCC#CCOc1ccc2cccnc2c1 34a_100011216045_100009813939 [0,1,0,0,0,0|1,0,1]=3 3766 B17R2.5879 CCC#CCOc1ccc2ccncc2c1 7a_100000752006_100009813939 [0,1,0,0,0,0|1,0,1]=3 3767 B17R2.5879 CCC#CCOc1ccc2cnccc2c1 34a_100000046372_100009813939 [0,1,0,0,0,0|1,0,1]=3 3768 B17R2.5879 CCC#CCOc1ccc2cnccc2c1 7a_100000046372_100009813939 [0,1,0,0,0,0|1,0,1]=3 3769 B17R2.5879 CCC#CCOc1ccc2ncccc2c1 34a_100011215586_100009813939 [0,1,0,0,0,0|1,0,1]=3 3770 B17R2.5879 CCC#CCOc1ccc2ncccc2c1 7a_100011215586_100009813939 [0,1,0,0,0,0|1,0,1]=3 3771 B17R2.5879 CCC#CCOc1ccc2nccnc2c1 34a_100000694412_100009813939 [0,1,0,0,0,0|2,0,1]=4 3772 B17R2.5879 CCC#CCOc1cnc2ccccc2c1 34a_100011934006_100009813939 [0,1,0,0,0,0|1,0,1]=3 3773 B17R2.5879 CCC#CCOc1cnc2ccccc2c1 7a_100011934006_100009813939 [0,1,0,0,0,0|1,0,1]=3 3774 B17R2.5879 CCC#CCSc1cc2ccccc2cn1 62a_100009813939_100000047361 [0,1,0,0,0,0|1,1,1]=4 3775 B17R2.5879 CCC#CCSc1cc2ccccc2cn1 62a_100009816522_100009813939 [0,1,0,0,0,0|1,1,1]=4 3776 B17R2.5879 CCC#CCSc1ccc2ccccc2c1 62a_100009813939_100000233703 [0,1,0,0,0,0|0,1,1]=3 3777 B17R2.5879 CCC#CCSc1ccc2ccccc2n1 62a_100009813939_100011291633 [0,1,0,0,0,0|1,1,1]=4 3778 B17R2.5879 CCC#CCSc1ccc2ccccc2n1 62a_100011291633_100009813939 [0,1,0,0,0,0|1,1,1]=4 3779 B17R2.5879 CCC#CCSc1ccc2cccnc2c1 62a_100009813939_100009816655 [0,1,0,0,0,0|1,1,1]=4 3780 B17R2.5879 CCC#CCSc1ccc2ccncc2c1 62a_100000686496_100009813939 [0,1,0,0,0,0|1,1,1]=4 3781 B17R2.5879 CCC#CCSc1ccc2ccncc2c1 62a_100009813939_100000686496 [0,1,0,0,0,0|1,1,1]=4 3782 B17R2.5879 CCC#CCSc1ccc2cnccc2c1 62a_100009813939_100009816743 [0,1,0,0,0,0|1,1,1]=4 3783 B17R2.5879 CCC#CCSc1ccc2cnccc2c1 62a_100009816743_100009813939 [0,1,0,0,0,0|1,1,1]=4 3784 B17R2.5879 CCC#CCSc1ccc2ncccc2c1 62a_100009813939_100011215947 [0,1,0,0,0,0|1,1,1]=4 3785 B17R2.5879 CCC#CCSc1ccc2ncccc2c1 62a_100011215947_100009813939 [0,1,0,0,0,0|1,1,1]=4 3786 B17R2.5879 CCC#CCSc1cnc2ccccc2c1 62a_100009813939_100000737414 [0,1,0,0,0,0|1,1,1]=4 3787 B17R2.5879 CCCC=NNc1ccc2ccccc2c1 4a_100016987534_100000185831 [0,1,0,0,0,0|1,0,1]=3 3788 B17R2.5879 CCCC=NNc1ccc2ccccc2n1 4a_100000212036_100000185831 [0,1,0,0,0,0|2,0,1]=4 3789 B17R2.5879 CCCC=NNc1ccc2cccnc2c1 4a_200016991157_100000185831 [0,1,0,0,0,0|2,0,1]=4 3790 B17R2.5879 CCCC=NNc1ccc2ncccc2c1 4a_100025741853_100000185831 [0,1,0,0,0,0|2,0,1]=4 3791 B17R2.5879 CCCCC=Cc1cc2ccccc2cn1 271570a_100016275911_100000047361 [0,1,0,0,0,0|2,0,0]=3 3792 B17R2.5879 CCCCC=Cc1ccc2ccccc2n1 271570a_100016275911_100011291633 [0,1,0,0,0,0|2,0,0]=3 3793 B17R2.5879 CCCCC=Cc1ccc2cccnc2c1 271570a_100016275911_100009816655 [0,1,0,0,0,0|2,0,0]=3 3794 B17R2.5879 CCCCC=Cc1ccc2cccnc2n1 271570a_100016275911_100009888989 [0,1,0,0,0,0|3,0,0]=4 3795 B17R2.5879 CCCCC=Cc1ccc2ccncc2c1 271570a_100016275911_100000686496 [0,1,0,0,0,0|2,0,0]=3 3796 B17R2.5879 CCCCC=Cc1ccc2ccncc2n1 271570a_100016275911_100000020162 [0,1,0,0,0,0|3,0,0]=4 3797 B17R2.5879 CCCCC=Cc1ccc2cnccc2c1 271570a_100016275911_100009816743 [0,1,0,0,0,0|2,0,0]=3 3798 B17R2.5879 CCCCC=Cc1ccc2cncnc2c1 271570a_100016275911_100010185614 [0,1,0,0,0,0|3,0,0]=4 3799 B17R2.5879 CCCCC=Cc1ccc2cnncc2c1 271570a_100016275911_100010198781 [0,1,0,0,0,0|3,0,0]=4 3800 B17R2.5879 CCCCC=Cc1ccc2ncccc2c1 271570a_100016275911_100000754243 [0,1,0,0,0,0|2,0,0]=3 3801 B17R2.5879 CCCCC=Cc1ccc2ncccc2n1 271570a_100016275911_100000073381 [0,1,0,0,0,0|3,0,0]=4 3802 B17R2.5879 CCCCC=Cc1ccc2nccnc2c1 271570a_100016275911_100011219451 [0,1,0,0,0,0|3,0,0]=4 3803 B17R2.5879 CCCCC=Cc1ccc2ncncc2c1 271570a_100016275911_100009989443 [0,1,0,0,0,0|3,0,0]=4 3804 B17R2.5879 CCCCC=Cc1ccc2nnccc2c1 271570a_100016275911_100010209549 [0,1,0,0,0,0|3,0,0]=4 3805 B17R2.5879 CCCCC=Cc1cnc2ccccc2c1 271570a_100016275911_100000737414 [0,1,0,0,0,0|2,0,0]=3 3806 B17R2.5879 CCCCC=Cc1cnc2ccccc2n1 271570a_100016275911_100000756483 [0,1,0,0,0,0|3,0,0]=4 3807 B17R2.5879 CCCCC=Cc1cnc2cccnc2c1 271570a_100016275911_100010246316 [0,1,0,0,0,0|3,0,0]=4 3808 B17R2.5879 CCCCC=Cc1ncc2ccccc2n1 271570a_100016275911_100000097389 [0,1,0,0,0,0|3,0,0]=4 3809 B17R2.5879 CCCCCNc1ccc2ccccc2c1 34a_100000211940_100000718602 [0,1,0,0,0,0|1,0,0]=2 3810 B17R2.5879 CCCCCNc1ccc2ccccc2c1 7a_100000211940_100000210326 [0,1,0,0,0,0|1,0,0]=2 3811 B17R2.5879 CCCCCNc1ccc2ccccc2n1 27a_100000209983_100011291633 [0,1,0,0,0,0|2,0,0]=3 3812 B17R2.5879 CCCCCNc1ccc2cccnc2c1 34a_100102887122_100000718602 [0,1,0,0,0,0|2,0,0]=3 3813 B17R2.5879 CCCCCNc1ccc2cccnc2n1 27a_100000209983_100000075685 [0,1,0,0,0,0|3,0,0]=4 3814 B17R2.5879 CCCCCNc1ccc2ccncc2n1 27a_100000209983_100000020162 [0,1,0,0,0,0|3,0,0]=4 3815 B17R2.5879 CCCCCNc1ccc2cnccc2c1 34a_100000039641_100000718602 [0,1,0,0,0,0|2,0,0]=3 3816 B17R2.5879 CCCCCNc1ccc2cncnc2c1 27a_100000209983_100010185614 [0,1,0,0,0,0|3,0,0]=4 3817 B17R2.5879 CCCCCNc1ccc2ncccc2c1 34a_100011198106_100000718602 [0,1,0,0,0,0|2,0,0]=3 3818 B17R2.5879 CCCCCNc1ccc2ncccc2n1 27a_100000209983_100000073381 [0,1,0,0,0,0|3,0,0]=4 3819 B17R2.5879 CCCCCNc1ccc2nccnc2c1 27a_100000209983_100011219451 [0,1,0,0,0,0|3,0,0]=4 3820 B17R2.5879 CCCCCNc1ccc2nccnc2c1 34a_100011219565_100000718602 [0,1,0,0,0,0|3,0,0]=4 3821 B17R2.5879 CCCCCNc1cnc2ccccc2n1 27a_100000209983_100000756483 [0,1,0,0,0,0|3,0,0]=4 3822 B17R2.5879 CCCCCNc1ncc2ccccc2n1 27a_100000209983_100000097389 [0,1,0,0,0,0|3,0,0]=4 3823 B17R2.5879 CCCCCOc1ccc2ccccc2c1 34a_100000185828_100000718602 [0,1,0,0,0,0|0,0,0]=1 3824 B17R2.5879 CCCCCOc1ccc2ccccc2c1 7a_100000185828_100000210326 [0,1,0,0,0,0|0,0,0]=1 3825 B17R2.5879 CCCCCOc1ccc2cccnc2c1 34a_100011216045_100000718602 [0,1,0,0,0,0|1,0,0]=2 3826 B17R2.5879 CCCCCOc1ccc2ccncc2c1 7a_100000752006_100000210326 [0,1,0,0,0,0|1,0,0]=2 3827 B17R2.5879 CCCCCOc1ccc2cnccc2c1 34a_100000046372_100000718602 [0,1,0,0,0,0|1,0,0]=2 3828 B17R2.5879 CCCCCOc1ccc2cnccc2c1 7a_100000046372_100000210326 [0,1,0,0,0,0|1,0,0]=2 3829 B17R2.5879 CCCCCOc1ccc2ncccc2c1 34a_100011215586_100000718602 [0,1,0,0,0,0|1,0,0]=2 3830 B17R2.5879 CCCCCOc1ccc2ncccc2c1 7a_100011215586_100000210326 [0,1,0,0,0,0|1,0,0]=2 3831 B17R2.5879 CCCCCOc1ccc2nccnc2c1 34a_100000694412_100000718602 [0,1,0,0,0,0|2,0,0]=3 3832 B17R2.5879 CCCCCOc1cnc2ccccc2c1 34a_100011934006_100000718602 [0,1,0,0,0,0|1,0,0]=2 3833 B17R2.5879 CCCCCOc1cnc2ccccc2c1 7a_100011934006_100000210326 [0,1,0,0,0,0|1,0,0]=2 3834 B17R2.5879 CCCCCSc1cc2ccccc2cn1 62a_100000210326_100000047361 [0,1,0,0,0,0|1,1,0]=3 3835 B17R2.5879 CCCCCSc1cc2ccccc2cn1 62a_100009816522_100000210326 [0,1,0,0,0,0|1,1,0]=3 3836 B17R2.5879 CCCCCSc1ccc2ccccc2n1 62a_100000210326_100011291633 [0,1,0,0,0,0|1,1,0]=3 3837 B17R2.5879 CCCCCSc1ccc2ccccc2n1 62a_100011291633_100000210326 [0,1,0,0,0,0|1,1,0]=3 3838 B17R2.5879 CCCCCSc1ccc2cccnc2c1 62a_100000210326_100009816655 [0,1,0,0,0,0|1,1,0]=3 3839 B17R2.5879 CCCCCSc1ccc2cccnc2n1 62a_100000075685_100000210326 [0,1,0,0,0,0|2,1,0]=4 3840 B17R2.5879 CCCCCSc1ccc2cccnc2n1 62a_100000210326_100000075685 [0,1,0,0,0,0|2,1,0]=4 3841 B17R2.5879 CCCCCSc1ccc2ccncc2c1 62a_100000210326_100000686496 [0,1,0,0,0,0|1,1,0]=3 3842 B17R2.5879 CCCCCSc1ccc2ccncc2c1 62a_100000686496_100000210326 [0,1,0,0,0,0|1,1,0]=3 3843 B17R2.5879 CCCCCSc1ccc2ccncc2n1 62a_100000210326_100000020162 [0,1,0,0,0,0|2,1,0]=4 3844 B17R2.5879 CCCCCSc1ccc2cnccc2c1 62a_100000210326_100009816743 [0,1,0,0,0,0|1,1,0]=3 3845 B17R2.5879 CCCCCSc1ccc2cnccc2c1 62a_100009816743_100000210326 [0,1,0,0,0,0|1,1,0]=3 3846 B17R2.5879 CCCCCSc1ccc2cncnc2c1 62a_100000210326_100010185614 [0,1,0,0,0,0|2,1,0]=4 3847 B17R2.5879 CCCCCSc1ccc2cncnc2c1 62a_100010185614_100000210326 [0,1,0,0,0,0|2,1,0]=4 3848 B17R2.5879 CCCCCSc1ccc2cnncc2c1 62a_100000210326_100010198781 [0,1,0,0,0,0|2,1,0]=4 3849 B17R2.5879 CCCCCSc1ccc2cnncc2c1 62a_100010198781_100000210326 [0,1,0,0,0,0|2,1,0]=4 3850 B17R2.5879 CCCCCSc1ccc2ncccc2c1 62a_100000210326_100011215947 [0,1,0,0,0,0|1,1,0]=3 3851 B17R2.5879 CCCCCSc1ccc2ncccc2c1 62a_100011215947_100000210326 [0,1,0,0,0,0|1,1,0]=3 3852 B17R2.5879 CCCCCSc1ccc2ncccc2n1 62a_100000210326_100000073381 [0,1,0,0,0,0|2,1,0]=4 3853 B17R2.5879 CCCCCSc1ccc2nccnc2c1 62a_100000210326_100011219451 [0,1,0,0,0,0|2,1,0]=4 3854 B17R2.5879 CCCCCSc1ccc2nccnc2c1 62a_100011219451_100000210326 [0,1,0,0,0,0|2,1,0]=4 3855 B17R2.5879 CCCCCSc1ccc2ncncc2c1 62a_100000210326_100009989443 [0,1,0,0,0,0|2,1,0]=4 3856 B17R2.5879 CCCCCSc1ccc2ncncc2c1 62a_100009989443_100000210326 [0,1,0,0,0,0|2,1,0]=4 3857 B17R2.5879 CCCCCSc1ccc2nnccc2c1 62a_100000210326_100010209549 [0,1,0,0,0,0|2,1,0]=4 3858 B17R2.5879 CCCCCSc1ccc2nnccc2c1 62a_100010209549_100000210326 [0,1,0,0,0,0|2,1,0]=4 3859 B17R2.5879 CCCCCSc1cnc2ccccc2c1 62a_100000210326_100000737414 [0,1,0,0,0,0|1,1,0]=3 3860 B17R2.5879 CCCCCSc1cnc2ccccc2n1 62a_100000210326_100000756483 [0,1,0,0,0,0|2,1,0]=4 3861 B17R2.5879 CCCCCSc1cnc2ccccc2n1 62a_100000756483_100000210326 [0,1,0,0,0,0|2,1,0]=4 3862 B17R2.5879 CCCCCSc1cnc2cccnc2c1 62a_100000210326_100010246316 [0,1,0,0,0,0|2,1,0]=4 3863 B17R2.5879 CCCCCSc1cnc2cccnc2c1 62a_100010246316_100000210326 [0,1,0,0,0,0|2,1,0]=4 3864 B17R2.5879 CCCCCSc1ncc2ccccc2n1 62a_100000210326_100000097389 [0,1,0,0,0,0|2,1,0]=4 3865 B17R2.5879 CCCCNCC1=Cc2ccccc2OC1 270004a_100000102301_100000013085 [0,1,0,0,0,0|2,0,1]=4 3866 B17R2.5879 CCCCNCc1cc2ccccc2cn1 207a_100000102301_100000059776 [0,1,0,0,0,0|2,0,0]=3 3867 B17R2.5879 CCCCNCc1cc2ccccc2cn1 2230a_100000102301_100009869231 [0,1,0,0,0,0|2,0,0]=3 3868 B17R2.5879 CCCCNCc1cc2ccccc2cn1 270004a_100000102301_100000059776 [0,1,0,0,0,0|2,0,0]=3 3869 B17R2.5879 CCCCNCc1cc2ccccc2cn1 7a_106832991798_100009869231 [0,1,0,0,0,0|2,0,0]=3 3870 B17R2.5879 CCCCNCc1ccc2ccccc2c1 207a_100000102301_100000211584 [0,1,0,0,0,0|1,0,0]=2 3871 B17R2.5879 CCCCNCc1ccc2ccccc2c1 2230a_100000102301_100011216711 [0,1,0,0,0,0|1,0,0]=2 3872 B17R2.5879 CCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210211 [0,1,0,0,0,0|1,0,0]=2 3873 B17R2.5879 CCCCNCc1ccc2ccccc2c1 270004a_100000102301_100000211584 [0,1,0,0,0,0|1,0,0]=2 3874 B17R2.5879 CCCCNCc1ccc2ccccc2c1 34a_100000739491_100000210210 [0,1,0,0,0,0|1,0,0]=2 3875 B17R2.5879 CCCCNCc1ccc2ccccc2c1 7a_106832991798_100011216711 [0,1,0,0,0,0|1,0,0]=2 3876 B17R2.5879 CCCCNCc1ccc2ccccc2n1 207a_100000102301_100000759686 [0,1,0,0,0,0|2,0,0]=3 3877 B17R2.5879 CCCCNCc1ccc2ccccc2n1 2230a_100000102301_100000737579 [0,1,0,0,0,0|2,0,0]=3 3878 B17R2.5879 CCCCNCc1ccc2ccccc2n1 270004a_100000102301_100000759686 [0,1,0,0,0,0|2,0,0]=3 3879 B17R2.5879 CCCCNCc1ccc2ccccc2n1 7a_106832991798_100000737579 [0,1,0,0,0,0|2,0,0]=3 3880 B17R2.5879 CCCCNCc1ccc2cccnc2c1 207a_100000102301_100011784159 [0,1,0,0,0,0|2,0,0]=3 3881 B17R2.5879 CCCCNCc1ccc2cccnc2c1 270004a_100000102301_100011784159 [0,1,0,0,0,0|2,0,0]=3 3882 B17R2.5879 CCCCNCc1ccc2cnccc2c1 207a_100000102301_100000068276 [0,1,0,0,0,0|2,0,0]=3 3883 B17R2.5879 CCCCNCc1ccc2cnccc2c1 2230a_100000102301_100020605334 [0,1,0,0,0,0|2,0,0]=3 3884 B17R2.5879 CCCCNCc1ccc2cnccc2c1 270004a_100000102301_100000068276 [0,1,0,0,0,0|2,0,0]=3 3885 B17R2.5879 CCCCNCc1ccc2cnccc2c1 7a_106832991798_100020605334 [0,1,0,0,0,0|2,0,0]=3 3886 B17R2.5879 CCCCNCc1ccc2ncccc2c1 207a_100000102301_100000211315 [0,1,0,0,0,0|2,0,0]=3 3887 B17R2.5879 CCCCNCc1ccc2ncccc2c1 2230a_100000102301_100000703657 [0,1,0,0,0,0|2,0,0]=3 3888 B17R2.5879 CCCCNCc1ccc2ncccc2c1 270004a_100000102301_100000211315 [0,1,0,0,0,0|2,0,0]=3 3889 B17R2.5879 CCCCNCc1ccc2ncccc2c1 34a_100000238500_100000210210 [0,1,0,0,0,0|2,0,0]=3 3890 B17R2.5879 CCCCNCc1ccc2ncccc2c1 7a_106832991798_100000703657 [0,1,0,0,0,0|2,0,0]=3 3891 B17R2.5879 CCCCNCc1ccc2nccnc2c1 2230a_100000102301_200011762199 [0,1,0,0,0,0|3,0,0]=4 3892 B17R2.5879 CCCCNCc1ccc2nccnc2c1 270004a_100000102301_100000239887 [0,1,0,0,0,0|3,0,0]=4 3893 B17R2.5879 CCCCNCc1ccc2nccnc2c1 7a_106832991798_200011762199 [0,1,0,0,0,0|3,0,0]=4 3894 B17R2.5879 CCCCNCc1cnc2ccccc2c1 207a_100000102301_100000750898 [0,1,0,0,0,0|2,0,0]=3 3895 B17R2.5879 CCCCNCc1cnc2ccccc2c1 270004a_100000102301_100000750898 [0,1,0,0,0,0|2,0,0]=3 3896 B17R2.5879 CCCCNCc1cnc2ccccc2c1 34a_100000742225_100000210210 [0,1,0,0,0,0|2,0,0]=3 3897 B17R2.5879 CCCCNCc1cnc2ccccc2n1 270004a_100000102301_100000204677 [0,1,0,0,0,0|3,0,0]=4 3898 B17R2.5879 CCCCNCc1cnc2ccccc2n1 7a_106832991798_200000751123 [0,1,0,0,0,0|3,0,0]=4 3899 B17R2.5879 CCCCNCc1ncc2ccccc2n1 7a_106832991798_100009868571 [0,1,0,0,0,0|3,0,0]=4 3900 B17R2.5879 CCCCOCc1cc2ccccc2cn1 34a_100000210227_100009869231 [0,1,0,0,0,0|1,0,0]=2 3901 B17R2.5879 CCCCOCc1cc2ccccc2cn1 7a_100000210227_100009869231 [0,1,0,0,0,0|1,0,0]=2 3902 B17R2.5879 CCCCOCc1ccc2ccccc2c1 34a_100000210227_100011216711 [0,1,0,0,0,0|0,0,0]=1 3903 B17R2.5879 CCCCOCc1ccc2ccccc2c1 34a_100011215330_100000210210 [0,1,0,0,0,0|0,0,0]=1 3904 B17R2.5879 CCCCOCc1ccc2ccccc2c1 7a_100000210227_100011216711 [0,1,0,0,0,0|0,0,0]=1 3905 B17R2.5879 CCCCOCc1ccc2ccccc2c1 7a_100011215330_100000210211 [0,1,0,0,0,0|0,0,0]=1 3906 B17R2.5879 CCCCOCc1ccc2ccccc2n1 34a_100000210227_100000737579 [0,1,0,0,0,0|1,0,0]=2 3907 B17R2.5879 CCCCOCc1ccc2ccccc2n1 7a_100000210227_100000737579 [0,1,0,0,0,0|1,0,0]=2 3908 B17R2.5879 CCCCOCc1ccc2cnccc2c1 34a_100000210227_100020605334 [0,1,0,0,0,0|1,0,0]=2 3909 B17R2.5879 CCCCOCc1ccc2cnccc2c1 7a_100000210227_100020605334 [0,1,0,0,0,0|1,0,0]=2 3910 B17R2.5879 CCCCOCc1ccc2ncccc2c1 34a_100000210227_100000703657 [0,1,0,0,0,0|1,0,0]=2 3911 B17R2.5879 CCCCOCc1ccc2ncccc2c1 34a_100011315636_100000210210 [0,1,0,0,0,0|1,0,0]=2 3912 B17R2.5879 CCCCOCc1ccc2ncccc2c1 7a_100000210227_100000703657 [0,1,0,0,0,0|1,0,0]=2 3913 B17R2.5879 CCCCOCc1ccc2nccnc2c1 7a_100000210227_200011762199 [0,1,0,0,0,0|2,0,0]=3 3914 B17R2.5879 CCCCOCc1cnc2ccccc2c1 34a_100011258773_100000210210 [0,1,0,0,0,0|1,0,0]=2 3915 B17R2.5879 CCCCOCc1cnc2ccccc2n1 7a_100000210227_200000751123 [0,1,0,0,0,0|2,0,0]=3 3916 B17R2.5879 CCCCOCc1ncc2ccccc2n1 34a_100000210227_100009868571 [0,1,0,0,0,0|2,0,0]=3 3917 B17R2.5879 CCCCOCc1ncc2ccccc2n1 7a_100000210227_100009868571 [0,1,0,0,0,0|2,0,0]=3 3918 B17R2.5879 CCCCSCc1cc2ccccc2cn1 62a_100000210211_100009869231 [0,1,0,0,0,0|1,1,0]=3 3919 B17R2.5879 CCCCSCc1cc2ccccc2cn1 62a_100009869231_100000210210 [0,1,0,0,0,0|1,1,0]=3 3920 B17R2.5879 CCCCSCc1ccc2ccccc2c1 62a_100000210211_100011216711 [0,1,0,0,0,0|0,1,0]=2 3921 B17R2.5879 CCCCSCc1ccc2ccccc2c1 62a_100011216711_100000210210 [0,1,0,0,0,0|0,1,0]=2 3922 B17R2.5879 CCCCSCc1ccc2ccccc2n1 62a_100000210211_100000737579 [0,1,0,0,0,0|1,1,0]=3 3923 B17R2.5879 CCCCSCc1ccc2ccccc2n1 62a_100000737579_100000210210 [0,1,0,0,0,0|1,1,0]=3 3924 B17R2.5879 CCCCSCc1ccc2cnccc2c1 62a_100000210211_100020605334 [0,1,0,0,0,0|1,1,0]=3 3925 B17R2.5879 CCCCSCc1ccc2cnccc2c1 62a_100020605334_100000210210 [0,1,0,0,0,0|1,1,0]=3 3926 B17R2.5879 CCCCSCc1ccc2ncccc2c1 62a_100000210211_100000703657 [0,1,0,0,0,0|1,1,0]=3 3927 B17R2.5879 CCCCSCc1ccc2ncccc2c1 62a_100000703657_100000210210 [0,1,0,0,0,0|1,1,0]=3 3928 B17R2.5879 CCCCSCc1ccc2nccnc2c1 62a_100000210211_200011762199 [0,1,0,0,0,0|2,1,0]=4 3929 B17R2.5879 CCCCSCc1ccc2nccnc2c1 62a_200011762199_100000210210 [0,1,0,0,0,0|2,1,0]=4 3930 B17R2.5879 CCCCSCc1cnc2ccccc2n1 62a_100000210211_200000751123 [0,1,0,0,0,0|2,1,0]=4 3931 B17R2.5879 CCCCSCc1cnc2ccccc2n1 62a_200000751123_100000210210 [0,1,0,0,0,0|2,1,0]=4 3932 B17R2.5879 CCCCSCc1ncc2ccccc2n1 62a_100000210211_100009868571 [0,1,0,0,0,0|2,1,0]=4 3933 B17R2.5879 CCCCSCc1ncc2ccccc2n1 62a_100009868571_100000210210 [0,1,0,0,0,0|2,1,0]=4 3934 B17R2.5879 CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210303 [0,1,0,0,0,0|1,0,0]=2 3935 B17R2.5879 CCCNCCc1ccc2ccccc2c1 34a_100000746582_100000210303 [0,1,0,0,0,0|1,0,0]=2 3936 B17R2.5879 CCCNN=Cc1cc2ccccc2cn1 4a_100000740057_100000059776 [0,1,0,0,0,0|3,0,0]=4 3937 B17R2.5879 CCCNN=Cc1ccc2ccccc2c1 4a_100000740057_100000211584 [0,1,0,0,0,0|2,0,0]=3 3938 B17R2.5879 CCCNN=Cc1ccc2ccccc2n1 4a_100000740057_100000759686 [0,1,0,0,0,0|3,0,0]=4 3939 B17R2.5879 CCCNN=Cc1ccc2cccnc2c1 4a_100000740057_100011784159 [0,1,0,0,0,0|3,0,0]=4 3940 B17R2.5879 CCCNN=Cc1ccc2cnccc2c1 4a_100000740057_100000068276 [0,1,0,0,0,0|3,0,0]=4 3941 B17R2.5879 CCCNN=Cc1ccc2ncccc2c1 4a_100000740057_100000211315 [0,1,0,0,0,0|3,0,0]=4 3942 B17R2.5879 CCCNN=Cc1cnc2ccccc2c1 4a_100000740057_100000750898 [0,1,0,0,0,0|3,0,0]=4 3943 B17R2.5879 CCCOCCc1ccc2ccccc2c1 34a_100000755654_100000210303 [0,1,0,0,0,0|1,0,0]=2 3944 B17R2.5879 CCCOCCc1ccc2ccccc2c1 7a_100000755654_100000210303 [0,1,0,0,0,0|1,0,0]=2 3945 B17R2.5879 CCCOCCc1ccc2ccccc2n1 34a_100011996444_100000210303 [0,1,0,0,0,0|2,0,0]=3 3946 B17R2.5879 CCOCCNc1ccc2ccccc2c1 34a_100000211940_100000210147 [0,1,0,0,0,0|1,0,0]=2 3947 B17R2.5879 CCOCCNc1ccc2ccccc2c1 7a_100000211940_100011215890 [0,1,0,0,0,0|1,0,0]=2 3948 B17R2.5879 CCOCCNc1ccc2ccccc2n1 27a_100011200944_100011291633 [0,1,0,0,0,0|2,0,0]=3 3949 B17R2.5879 CCOCCNc1ccc2cccnc2c1 34a_100102887122_100000210147 [0,1,0,0,0,0|2,0,0]=3 3950 B17R2.5879 CCOCCNc1ccc2cccnc2n1 27a_100011200944_100000075685 [0,1,0,0,0,0|3,0,0]=4 3951 B17R2.5879 CCOCCNc1ccc2ccncc2n1 27a_100011200944_100000020162 [0,1,0,0,0,0|3,0,0]=4 3952 B17R2.5879 CCOCCNc1ccc2cnccc2c1 34a_100000039641_100000210147 [0,1,0,0,0,0|2,0,0]=3 3953 B17R2.5879 CCOCCNc1ccc2cncnc2c1 27a_100011200944_100010185614 [0,1,0,0,0,0|3,0,0]=4 3954 B17R2.5879 CCOCCNc1ccc2ncccc2c1 34a_100011198106_100000210147 [0,1,0,0,0,0|2,0,0]=3 3955 B17R2.5879 CCOCCNc1ccc2ncccc2n1 27a_100011200944_100000073381 [0,1,0,0,0,0|3,0,0]=4 3956 B17R2.5879 CCOCCNc1ccc2nccnc2c1 27a_100011200944_100011219451 [0,1,0,0,0,0|3,0,0]=4 3957 B17R2.5879 CCOCCNc1ccc2nccnc2c1 34a_100011219565_100000210147 [0,1,0,0,0,0|3,0,0]=4 3958 B17R2.5879 CCOCCNc1cnc2ccccc2n1 27a_100011200944_100000756483 [0,1,0,0,0,0|3,0,0]=4 3959 B17R2.5879 CCOCCNc1ncc2ccccc2n1 27a_100011200944_100000097389 [0,1,0,0,0,0|3,0,0]=4 3960 B17R2.5879 CCOCCOc1ccc2ccccc2c1 34a_100000185828_100000210147 [0,1,0,0,0,0|0,0,0]=1 3961 B17R2.5879 CCOCCOc1ccc2ccccc2c1 34a_200011219602_100000210202 [0,1,0,0,0,0|0,0,0]=1 3962 B17R2.5879 CCOCCOc1ccc2ccccc2c1 7a_100000185828_100011215890 [0,1,0,0,0,0|0,0,0]=1 3963 B17R2.5879 CCOCCOc1ccc2ccccc2c1 7a_200011219602_100000210202 [0,1,0,0,0,0|0,0,0]=1 3964 B17R2.5879 CCOCCOc1ccc2cccnc2c1 34a_100011216045_100000210147 [0,1,0,0,0,0|1,0,0]=2 3965 B17R2.5879 CCOCCOc1ccc2ccncc2c1 7a_100000752006_100011215890 [0,1,0,0,0,0|1,0,0]=2 3966 B17R2.5879 CCOCCOc1ccc2cnccc2c1 34a_100000046372_100000210147 [0,1,0,0,0,0|1,0,0]=2 3967 B17R2.5879 CCOCCOc1ccc2cnccc2c1 7a_100000046372_100011215890 [0,1,0,0,0,0|1,0,0]=2 3968 B17R2.5879 CCOCCOc1ccc2ncccc2c1 34a_100011215586_100000210147 [0,1,0,0,0,0|1,0,0]=2 3969 B17R2.5879 CCOCCOc1ccc2ncccc2c1 7a_100011215586_100011215890 [0,1,0,0,0,0|1,0,0]=2 3970 B17R2.5879 CCOCCOc1ccc2nccnc2c1 34a_100000694412_100000210147 [0,1,0,0,0,0|2,0,0]=3 3971 B17R2.5879 CCOCCOc1cnc2ccccc2c1 34a_100011934006_100000210147 [0,1,0,0,0,0|1,0,0]=2 3972 B17R2.5879 CCOCCOc1cnc2ccccc2c1 7a_100011934006_100011215890 [0,1,0,0,0,0|1,0,0]=2 3973 B17R2.5879 CCOCCSc1cc2ccccc2cn1 62a_100000210147_100000047361 [0,1,0,0,0,0|1,1,0]=3 3974 B17R2.5879 CCOCCSc1cc2ccccc2cn1 62a_100009816522_100011215890 [0,1,0,0,0,0|1,1,0]=3 3975 B17R2.5879 CCOCCSc1ccc2ccccc2c1 62a_100000210147_100000233703 [0,1,0,0,0,0|0,1,0]=2 3976 B17R2.5879 CCOCCSc1ccc2ccccc2n1 62a_100000210147_100011291633 [0,1,0,0,0,0|1,1,0]=3 3977 B17R2.5879 CCOCCSc1ccc2ccccc2n1 62a_100011291633_100011215890 [0,1,0,0,0,0|1,1,0]=3 3978 B17R2.5879 CCOCCSc1ccc2cccnc2c1 62a_100000210147_100009816655 [0,1,0,0,0,0|1,1,0]=3 3979 B17R2.5879 CCOCCSc1ccc2cccnc2n1 62a_100000075685_100011215890 [0,1,0,0,0,0|2,1,0]=4 3980 B17R2.5879 CCOCCSc1ccc2cccnc2n1 62a_100000210147_100000075685 [0,1,0,0,0,0|2,1,0]=4 3981 B17R2.5879 CCOCCSc1ccc2ccncc2c1 62a_100000210147_100000686496 [0,1,0,0,0,0|1,1,0]=3 3982 B17R2.5879 CCOCCSc1ccc2ccncc2c1 62a_100000686496_100011215890 [0,1,0,0,0,0|1,1,0]=3 3983 B17R2.5879 CCOCCSc1ccc2ccncc2n1 62a_100000210147_100000020162 [0,1,0,0,0,0|2,1,0]=4 3984 B17R2.5879 CCOCCSc1ccc2cnccc2c1 62a_100000210147_100009816743 [0,1,0,0,0,0|1,1,0]=3 3985 B17R2.5879 CCOCCSc1ccc2cnccc2c1 62a_100009816743_100011215890 [0,1,0,0,0,0|1,1,0]=3 3986 B17R2.5879 CCOCCSc1ccc2cncnc2c1 62a_100000210147_100010185614 [0,1,0,0,0,0|2,1,0]=4 3987 B17R2.5879 CCOCCSc1ccc2cncnc2c1 62a_100010185614_100011215890 [0,1,0,0,0,0|2,1,0]=4 3988 B17R2.5879 CCOCCSc1ccc2cnncc2c1 62a_100000210147_100010198781 [0,1,0,0,0,0|2,1,0]=4 3989 B17R2.5879 CCOCCSc1ccc2cnncc2c1 62a_100010198781_100011215890 [0,1,0,0,0,0|2,1,0]=4 3990 B17R2.5879 CCOCCSc1ccc2ncccc2c1 62a_100000210147_100011215947 [0,1,0,0,0,0|1,1,0]=3 3991 B17R2.5879 CCOCCSc1ccc2ncccc2c1 62a_100011215947_100011215890 [0,1,0,0,0,0|1,1,0]=3 3992 B17R2.5879 CCOCCSc1ccc2ncccc2n1 62a_100000210147_100000073381 [0,1,0,0,0,0|2,1,0]=4 3993 B17R2.5879 CCOCCSc1ccc2nccnc2c1 62a_100000210147_100011219451 [0,1,0,0,0,0|2,1,0]=4 3994 B17R2.5879 CCOCCSc1ccc2nccnc2c1 62a_100011219451_100011215890 [0,1,0,0,0,0|2,1,0]=4 3995 B17R2.5879 CCOCCSc1ccc2ncncc2c1 62a_100000210147_100009989443 [0,1,0,0,0,0|2,1,0]=4 3996 B17R2.5879 CCOCCSc1ccc2ncncc2c1 62a_100009989443_100011215890 [0,1,0,0,0,0|2,1,0]=4 3997 B17R2.5879 CCOCCSc1ccc2nnccc2c1 62a_100000210147_100010209549 [0,1,0,0,0,0|2,1,0]=4 3998 B17R2.5879 CCOCCSc1ccc2nnccc2c1 62a_100010209549_100011215890 [0,1,0,0,0,0|2,1,0]=4 3999 B17R2.5879 CCOCCSc1cnc2ccccc2c1 62a_100000210147_100000737414 [0,1,0,0,0,0|1,1,0]=3 4000 B17R2.5879 CCOCCSc1cnc2ccccc2n1 62a_100000210147_100000756483 [0,1,0,0,0,0|2,1,0]=4 4001 B17R2.5879 CCOCCSc1cnc2ccccc2n1 62a_100000756483_100011215890 [0,1,0,0,0,0|2,1,0]=4 4002 B17R2.5879 CCOCCSc1cnc2cccnc2c1 62a_100000210147_100010246316 [0,1,0,0,0,0|2,1,0]=4 4003 B17R2.5879 CCOCCSc1cnc2cccnc2c1 62a_100010246316_100011215890 [0,1,0,0,0,0|2,1,0]=4 4004 B17R2.5879 CCOCCSc1ncc2ccccc2n1 62a_100000210147_100000097389 [0,1,0,0,0,0|2,1,0]=4 4005 B17R2.5879 CCOCSCc1cc2ccccc2cn1 62a_100000739092_100009869231 [0,1,0,0,0,0|2,1,0]=4 4006 B17R2.5879 CCOCSCc1cc2ccccc2cn1 62a_100009869231_100000739092 [0,1,0,0,0,0|2,1,0]=4 4007 B17R2.5879 CCOCSCc1ccc2ccccc2c1 62a_100000739092_100011216711 [0,1,0,0,0,0|1,1,0]=3 4008 B17R2.5879 CCOCSCc1ccc2ccccc2c1 62a_100011216711_100000739092 [0,1,0,0,0,0|1,1,0]=3 4009 B17R2.5879 CCOCSCc1ccc2ccccc2n1 62a_100000737579_100000739092 [0,1,0,0,0,0|2,1,0]=4 4010 B17R2.5879 CCOCSCc1ccc2ccccc2n1 62a_100000739092_100000737579 [0,1,0,0,0,0|2,1,0]=4 4011 B17R2.5879 CCOCSCc1ccc2cnccc2c1 62a_100000739092_100020605334 [0,1,0,0,0,0|2,1,0]=4 4012 B17R2.5879 CCOCSCc1ccc2cnccc2c1 62a_100020605334_100000739092 [0,1,0,0,0,0|2,1,0]=4 4013 B17R2.5879 CCOCSCc1ccc2ncccc2c1 62a_100000703657_100000739092 [0,1,0,0,0,0|2,1,0]=4 4014 B17R2.5879 CCOCSCc1ccc2ncccc2c1 62a_100000739092_100000703657 [0,1,0,0,0,0|2,1,0]=4 4015 B17R2.5879 CCSCCNc1ccc2ccccc2c1 34a_100000211940_100000757381 [0,1,0,0,0,0|1,0,0]=2 4016 B17R2.5879 CCSCCNc1ccc2ccccc2c1 7a_100000211940_100000757381 [0,1,0,0,0,0|1,0,0]=2 4017 B17R2.5879 CCSCCNc1ccc2ccccc2n1 27a_100000106463_100011291633 [0,1,0,0,0,0|2,0,0]=3 4018 B17R2.5879 CCSCCNc1ccc2cccnc2c1 34a_100102887122_100000757381 [0,1,0,0,0,0|2,0,0]=3 4019 B17R2.5879 CCSCCNc1ccc2cccnc2n1 27a_100000106463_100000075685 [0,1,0,0,0,0|3,0,0]=4 4020 B17R2.5879 CCSCCNc1ccc2ccncc2n1 27a_100000106463_100000020162 [0,1,0,0,0,0|3,0,0]=4 4021 B17R2.5879 CCSCCNc1ccc2cnccc2c1 34a_100000039641_100000757381 [0,1,0,0,0,0|2,0,0]=3 4022 B17R2.5879 CCSCCNc1ccc2cncnc2c1 27a_100000106463_100010185614 [0,1,0,0,0,0|3,0,0]=4 4023 B17R2.5879 CCSCCNc1ccc2ncccc2c1 34a_100011198106_100000757381 [0,1,0,0,0,0|2,0,0]=3 4024 B17R2.5879 CCSCCNc1ccc2ncccc2n1 27a_100000106463_100000073381 [0,1,0,0,0,0|3,0,0]=4 4025 B17R2.5879 CCSCCNc1ccc2nccnc2c1 27a_100000106463_100011219451 [0,1,0,0,0,0|3,0,0]=4 4026 B17R2.5879 CCSCCNc1ccc2nccnc2c1 34a_100011219565_100000757381 [0,1,0,0,0,0|3,0,0]=4 4027 B17R2.5879 CCSCCNc1cnc2ccccc2n1 27a_100000106463_100000756483 [0,1,0,0,0,0|3,0,0]=4 4028 B17R2.5879 CCSCCNc1ncc2ccccc2n1 27a_100000106463_100000097389 [0,1,0,0,0,0|3,0,0]=4 4029 B17R2.5879 CCSCCOc1ccc2ccccc2c1 34a_100000185828_100000757381 [0,1,0,0,0,0|0,0,0]=1 4030 B17R2.5879 CCSCCOc1ccc2ccccc2c1 7a_100000185828_100000757381 [0,1,0,0,0,0|0,0,0]=1 4031 B17R2.5879 CCSCCOc1ccc2cccnc2c1 34a_100011216045_100000757381 [0,1,0,0,0,0|1,0,0]=2 4032 B17R2.5879 CCSCCOc1ccc2ccncc2c1 7a_100000752006_100000757381 [0,1,0,0,0,0|1,0,0]=2 4033 B17R2.5879 CCSCCOc1ccc2cnccc2c1 34a_100000046372_100000757381 [0,1,0,0,0,0|1,0,0]=2 4034 B17R2.5879 CCSCCOc1ccc2cnccc2c1 7a_100000046372_100000757381 [0,1,0,0,0,0|1,0,0]=2 4035 B17R2.5879 CCSCCOc1ccc2ncccc2c1 34a_100011215586_100000757381 [0,1,0,0,0,0|1,0,0]=2 4036 B17R2.5879 CCSCCOc1ccc2ncccc2c1 7a_100011215586_100000757381 [0,1,0,0,0,0|1,0,0]=2 4037 B17R2.5879 CCSCCOc1ccc2nccnc2c1 34a_100000694412_100000757381 [0,1,0,0,0,0|2,0,0]=3 4038 B17R2.5879 CCSCCOc1cnc2ccccc2c1 34a_100011934006_100000757381 [0,1,0,0,0,0|1,0,0]=2 4039 B17R2.5879 CCSCCOc1cnc2ccccc2c1 7a_100011934006_100000757381 [0,1,0,0,0,0|1,0,0]=2 4040 B17R2.5879 CCSCCSc1cc2ccccc2cn1 62a_100000757381_100000047361 [0,1,0,0,0,0|1,1,0]=3 4041 B17R2.5879 CCSCCSc1cc2ccccc2cn1 62a_100009816522_100000757381 [0,1,0,0,0,0|1,1,0]=3 4042 B17R2.5879 CCSCCSc1ccc2ccccc2c1 62a_100000757381_100000233703 [0,1,0,0,0,0|0,1,0]=2 4043 B17R2.5879 CCSCCSc1ccc2ccccc2n1 62a_100000757381_100011291633 [0,1,0,0,0,0|1,1,0]=3 4044 B17R2.5879 CCSCCSc1ccc2ccccc2n1 62a_100011291633_100000757381 [0,1,0,0,0,0|1,1,0]=3 4045 B17R2.5879 CCSCCSc1ccc2cccnc2c1 62a_100000757381_100009816655 [0,1,0,0,0,0|1,1,0]=3 4046 B17R2.5879 CCSCCSc1ccc2cccnc2n1 62a_100000075685_100000757381 [0,1,0,0,0,0|2,1,0]=4 4047 B17R2.5879 CCSCCSc1ccc2cccnc2n1 62a_100000757381_100000075685 [0,1,0,0,0,0|2,1,0]=4 4048 B17R2.5879 CCSCCSc1ccc2ccncc2c1 62a_100000686496_100000757381 [0,1,0,0,0,0|1,1,0]=3 4049 B17R2.5879 CCSCCSc1ccc2ccncc2c1 62a_100000757381_100000686496 [0,1,0,0,0,0|1,1,0]=3 4050 B17R2.5879 CCSCCSc1ccc2ccncc2n1 62a_100000757381_100000020162 [0,1,0,0,0,0|2,1,0]=4 4051 B17R2.5879 CCSCCSc1ccc2cnccc2c1 62a_100000757381_100009816743 [0,1,0,0,0,0|1,1,0]=3 4052 B17R2.5879 CCSCCSc1ccc2cnccc2c1 62a_100009816743_100000757381 [0,1,0,0,0,0|1,1,0]=3 4053 B17R2.5879 CCSCCSc1ccc2cncnc2c1 62a_100000757381_100010185614 [0,1,0,0,0,0|2,1,0]=4 4054 B17R2.5879 CCSCCSc1ccc2cncnc2c1 62a_100010185614_100000757381 [0,1,0,0,0,0|2,1,0]=4 4055 B17R2.5879 CCSCCSc1ccc2cnncc2c1 62a_100000757381_100010198781 [0,1,0,0,0,0|2,1,0]=4 4056 B17R2.5879 CCSCCSc1ccc2cnncc2c1 62a_100010198781_100000757381 [0,1,0,0,0,0|2,1,0]=4 4057 B17R2.5879 CCSCCSc1ccc2ncccc2c1 62a_100000757381_100011215947 [0,1,0,0,0,0|1,1,0]=3 4058 B17R2.5879 CCSCCSc1ccc2ncccc2c1 62a_100011215947_100000757381 [0,1,0,0,0,0|1,1,0]=3 4059 B17R2.5879 CCSCCSc1ccc2ncccc2n1 62a_100000757381_100000073381 [0,1,0,0,0,0|2,1,0]=4 4060 B17R2.5879 CCSCCSc1ccc2nccnc2c1 62a_100000757381_100011219451 [0,1,0,0,0,0|2,1,0]=4 4061 B17R2.5879 CCSCCSc1ccc2nccnc2c1 62a_100011219451_100000757381 [0,1,0,0,0,0|2,1,0]=4 4062 B17R2.5879 CCSCCSc1ccc2ncncc2c1 62a_100000757381_100009989443 [0,1,0,0,0,0|2,1,0]=4 4063 B17R2.5879 CCSCCSc1ccc2ncncc2c1 62a_100009989443_100000757381 [0,1,0,0,0,0|2,1,0]=4 4064 B17R2.5879 CCSCCSc1ccc2nnccc2c1 62a_100000757381_100010209549 [0,1,0,0,0,0|2,1,0]=4 4065 B17R2.5879 CCSCCSc1ccc2nnccc2c1 62a_100010209549_100000757381 [0,1,0,0,0,0|2,1,0]=4 4066 B17R2.5879 CCSCCSc1cnc2ccccc2c1 62a_100000757381_100000737414 [0,1,0,0,0,0|1,1,0]=3 4067 B17R2.5879 CCSCCSc1cnc2ccccc2n1 62a_100000756483_100000757381 [0,1,0,0,0,0|2,1,0]=4 4068 B17R2.5879 CCSCCSc1cnc2ccccc2n1 62a_100000757381_100000756483 [0,1,0,0,0,0|2,1,0]=4 4069 B17R2.5879 CCSCCSc1cnc2cccnc2c1 62a_100000757381_100010246316 [0,1,0,0,0,0|2,1,0]=4 4070 B17R2.5879 CCSCCSc1cnc2cccnc2c1 62a_100010246316_100000757381 [0,1,0,0,0,0|2,1,0]=4 4071 B17R2.5879 CCSCCSc1ncc2ccccc2n1 62a_100000757381_100000097389 [0,1,0,0,0,0|2,1,0]=4 4072 B17R2.5879 CNCCCOc1ccc2ccccc2c1 2230a_106832991635_100000750887 [0,1,0,0,0,0|0,0,0]=1 4073 B17R2.5879 CNCCCOc1ccc2ccccc2c1 34a_100102657272_100000750887 [0,1,0,0,0,0|0,0,0]=1 4074 B17R2.5879 CNCCCOc1ccc2ccccc2c1 7a_106832991635_100000750887 [0,1,0,0,0,0|0,0,0]=1 4075 B17R2.5879 COCCCNc1ccc2ccccc2c1 34a_100000211940_100000740836 [0,1,0,0,0,0|1,0,0]=2 4076 B17R2.5879 COCCCNc1ccc2ccccc2c1 7a_100000211940_100000740836 [0,1,0,0,0,0|1,0,0]=2 4077 B17R2.5879 COCCCNc1ccc2ccccc2n1 27a_100150723488_100011291633 [0,1,0,0,0,0|2,0,0]=3 4078 B17R2.5879 COCCCNc1ccc2cccnc2c1 34a_100102887122_100000740836 [0,1,0,0,0,0|2,0,0]=3 4079 B17R2.5879 COCCCNc1ccc2cccnc2n1 27a_100150723488_100000075685 [0,1,0,0,0,0|3,0,0]=4 4080 B17R2.5879 COCCCNc1ccc2ccncc2n1 27a_100150723488_100000020162 [0,1,0,0,0,0|3,0,0]=4 4081 B17R2.5879 COCCCNc1ccc2cnccc2c1 34a_100000039641_100000740836 [0,1,0,0,0,0|2,0,0]=3 4082 B17R2.5879 COCCCNc1ccc2cncnc2c1 27a_100150723488_100010185614 [0,1,0,0,0,0|3,0,0]=4 4083 B17R2.5879 COCCCNc1ccc2ncccc2c1 34a_100011198106_100000740836 [0,1,0,0,0,0|2,0,0]=3 4084 B17R2.5879 COCCCNc1ccc2ncccc2n1 27a_100150723488_100000073381 [0,1,0,0,0,0|3,0,0]=4 4085 B17R2.5879 COCCCNc1ccc2nccnc2c1 27a_100150723488_100011219451 [0,1,0,0,0,0|3,0,0]=4 4086 B17R2.5879 COCCCNc1ccc2nccnc2c1 34a_100011219565_100000740836 [0,1,0,0,0,0|3,0,0]=4 4087 B17R2.5879 COCCCNc1cnc2ccccc2n1 27a_100150723488_100000756483 [0,1,0,0,0,0|3,0,0]=4 4088 B17R2.5879 COCCCNc1ncc2ccccc2n1 27a_100150723488_100000097389 [0,1,0,0,0,0|3,0,0]=4 4089 B17R2.5879 COCCCOc1ccc2ccccc2c1 34a_100000185828_100000740836 [0,1,0,0,0,0|0,0,0]=1 4090 B17R2.5879 COCCCOc1ccc2ccccc2c1 34a_100138415774_100000750887 [0,1,0,0,0,0|0,0,0]=1 4091 B17R2.5879 COCCCOc1ccc2ccccc2c1 7a_100000185828_100000740836 [0,1,0,0,0,0|0,0,0]=1 4092 B17R2.5879 COCCCOc1ccc2cccnc2c1 34a_100011216045_100000740836 [0,1,0,0,0,0|1,0,0]=2 4093 B17R2.5879 COCCCOc1ccc2ccncc2c1 7a_100000752006_100000740836 [0,1,0,0,0,0|1,0,0]=2 4094 B17R2.5879 COCCCOc1ccc2cnccc2c1 34a_100000046372_100000740836 [0,1,0,0,0,0|1,0,0]=2 4095 B17R2.5879 COCCCOc1ccc2cnccc2c1 7a_100000046372_100000740836 [0,1,0,0,0,0|1,0,0]=2 4096 B17R2.5879 COCCCOc1ccc2ncccc2c1 34a_100011215586_100000740836 [0,1,0,0,0,0|1,0,0]=2 4097 B17R2.5879 COCCCOc1ccc2ncccc2c1 7a_100011215586_100000740836 [0,1,0,0,0,0|1,0,0]=2 4098 B17R2.5879 COCCCOc1ccc2nccnc2c1 34a_100000694412_100000740836 [0,1,0,0,0,0|2,0,0]=3 4099 B17R2.5879 COCCCOc1cnc2ccccc2c1 34a_100011934006_100000740836 [0,1,0,0,0,0|1,0,0]=2 4100 B17R2.5879 COCCCOc1cnc2ccccc2c1 7a_100011934006_100000740836 [0,1,0,0,0,0|1,0,0]=2 4101 B17R2.5879 COCCCSc1cc2ccccc2cn1 62a_100000709357_100000047361 [0,1,0,0,0,0|1,1,0]=3 4102 B17R2.5879 COCCCSc1cc2ccccc2cn1 62a_100009816522_100000709357 [0,1,0,0,0,0|1,1,0]=3 4103 B17R2.5879 COCCCSc1ccc2ccccc2c1 62a_100000709357_100000233703 [0,1,0,0,0,0|0,1,0]=2 4104 B17R2.5879 COCCCSc1ccc2ccccc2n1 62a_100000709357_100011291633 [0,1,0,0,0,0|1,1,0]=3 4105 B17R2.5879 COCCCSc1ccc2ccccc2n1 62a_100011291633_100000709357 [0,1,0,0,0,0|1,1,0]=3 4106 B17R2.5879 COCCCSc1ccc2cccnc2c1 62a_100000709357_100009816655 [0,1,0,0,0,0|1,1,0]=3 4107 B17R2.5879 COCCCSc1ccc2cccnc2n1 62a_100000075685_100000709357 [0,1,0,0,0,0|2,1,0]=4 4108 B17R2.5879 COCCCSc1ccc2cccnc2n1 62a_100000709357_100000075685 [0,1,0,0,0,0|2,1,0]=4 4109 B17R2.5879 COCCCSc1ccc2ccncc2c1 62a_100000686496_100000709357 [0,1,0,0,0,0|1,1,0]=3 4110 B17R2.5879 COCCCSc1ccc2ccncc2c1 62a_100000709357_100000686496 [0,1,0,0,0,0|1,1,0]=3 4111 B17R2.5879 COCCCSc1ccc2ccncc2n1 62a_100000709357_100000020162 [0,1,0,0,0,0|2,1,0]=4 4112 B17R2.5879 COCCCSc1ccc2cnccc2c1 62a_100000709357_100009816743 [0,1,0,0,0,0|1,1,0]=3 4113 B17R2.5879 COCCCSc1ccc2cnccc2c1 62a_100009816743_100000709357 [0,1,0,0,0,0|1,1,0]=3 4114 B17R2.5879 COCCCSc1ccc2cncnc2c1 62a_100000709357_100010185614 [0,1,0,0,0,0|2,1,0]=4 4115 B17R2.5879 COCCCSc1ccc2cncnc2c1 62a_100010185614_100000709357 [0,1,0,0,0,0|2,1,0]=4 4116 B17R2.5879 COCCCSc1ccc2cnncc2c1 62a_100000709357_100010198781 [0,1,0,0,0,0|2,1,0]=4 4117 B17R2.5879 COCCCSc1ccc2cnncc2c1 62a_100010198781_100000709357 [0,1,0,0,0,0|2,1,0]=4 4118 B17R2.5879 COCCCSc1ccc2ncccc2c1 62a_100000709357_100011215947 [0,1,0,0,0,0|1,1,0]=3 4119 B17R2.5879 COCCCSc1ccc2ncccc2c1 62a_100011215947_100000709357 [0,1,0,0,0,0|1,1,0]=3 4120 B17R2.5879 COCCCSc1ccc2ncccc2n1 62a_100000709357_100000073381 [0,1,0,0,0,0|2,1,0]=4 4121 B17R2.5879 COCCCSc1ccc2nccnc2c1 62a_100000709357_100011219451 [0,1,0,0,0,0|2,1,0]=4 4122 B17R2.5879 COCCCSc1ccc2nccnc2c1 62a_100011219451_100000709357 [0,1,0,0,0,0|2,1,0]=4 4123 B17R2.5879 COCCCSc1ccc2ncncc2c1 62a_100000709357_100009989443 [0,1,0,0,0,0|2,1,0]=4 4124 B17R2.5879 COCCCSc1ccc2ncncc2c1 62a_100009989443_100000709357 [0,1,0,0,0,0|2,1,0]=4 4125 B17R2.5879 COCCCSc1ccc2nnccc2c1 62a_100000709357_100010209549 [0,1,0,0,0,0|2,1,0]=4 4126 B17R2.5879 COCCCSc1ccc2nnccc2c1 62a_100010209549_100000709357 [0,1,0,0,0,0|2,1,0]=4 4127 B17R2.5879 COCCCSc1cnc2ccccc2c1 62a_100000709357_100000737414 [0,1,0,0,0,0|1,1,0]=3 4128 B17R2.5879 COCCCSc1cnc2ccccc2n1 62a_100000709357_100000756483 [0,1,0,0,0,0|2,1,0]=4 4129 B17R2.5879 COCCCSc1cnc2ccccc2n1 62a_100000756483_100000709357 [0,1,0,0,0,0|2,1,0]=4 4130 B17R2.5879 COCCCSc1cnc2cccnc2c1 62a_100000709357_100010246316 [0,1,0,0,0,0|2,1,0]=4 4131 B17R2.5879 COCCCSc1cnc2cccnc2c1 62a_100010246316_100000709357 [0,1,0,0,0,0|2,1,0]=4 4132 B17R2.5879 COCCCSc1ncc2ccccc2n1 62a_100000709357_100000097389 [0,1,0,0,0,0|2,1,0]=4 4133 B17R2.5879 COCCNCc1cc2ccccc2cn1 207a_100000209980_100000059776 [0,1,0,0,0,0|3,0,0]=4 4134 B17R2.5879 COCCNCc1cc2ccccc2cn1 2230a_100000209980_100009869231 [0,1,0,0,0,0|3,0,0]=4 4135 B17R2.5879 COCCNCc1cc2ccccc2cn1 270004a_100000209980_100000059776 [0,1,0,0,0,0|3,0,0]=4 4136 B17R2.5879 COCCNCc1ccc2ccccc2c1 207a_100000209980_100000211584 [0,1,0,0,0,0|2,0,0]=3 4137 B17R2.5879 COCCNCc1ccc2ccccc2c1 2230a_100000209980_100011216711 [0,1,0,0,0,0|2,0,0]=3 4138 B17R2.5879 COCCNCc1ccc2ccccc2c1 2230a_100000739491_100011201679 [0,1,0,0,0,0|2,0,0]=3 4139 B17R2.5879 COCCNCc1ccc2ccccc2c1 270004a_100000209980_100000211584 [0,1,0,0,0,0|2,0,0]=3 4140 B17R2.5879 COCCNCc1ccc2ccccc2c1 34a_100000739491_100011201679 [0,1,0,0,0,0|2,0,0]=3 4141 B17R2.5879 COCCNCc1ccc2ccccc2n1 207a_100000209980_100000759686 [0,1,0,0,0,0|3,0,0]=4 4142 B17R2.5879 COCCNCc1ccc2ccccc2n1 2230a_100000209980_100000737579 [0,1,0,0,0,0|3,0,0]=4 4143 B17R2.5879 COCCNCc1ccc2ccccc2n1 270004a_100000209980_100000759686 [0,1,0,0,0,0|3,0,0]=4 4144 B17R2.5879 COCCNCc1ccc2cccnc2c1 207a_100000209980_100011784159 [0,1,0,0,0,0|3,0,0]=4 4145 B17R2.5879 COCCNCc1ccc2cccnc2c1 270004a_100000209980_100011784159 [0,1,0,0,0,0|3,0,0]=4 4146 B17R2.5879 COCCNCc1ccc2cnccc2c1 207a_100000209980_100000068276 [0,1,0,0,0,0|3,0,0]=4 4147 B17R2.5879 COCCNCc1ccc2cnccc2c1 2230a_100000209980_100020605334 [0,1,0,0,0,0|3,0,0]=4 4148 B17R2.5879 COCCNCc1ccc2cnccc2c1 270004a_100000209980_100000068276 [0,1,0,0,0,0|3,0,0]=4 4149 B17R2.5879 COCCNCc1ccc2ncccc2c1 207a_100000209980_100000211315 [0,1,0,0,0,0|3,0,0]=4 4150 B17R2.5879 COCCNCc1ccc2ncccc2c1 2230a_100000209980_100000703657 [0,1,0,0,0,0|3,0,0]=4 4151 B17R2.5879 COCCNCc1ccc2ncccc2c1 270004a_100000209980_100000211315 [0,1,0,0,0,0|3,0,0]=4 4152 B17R2.5879 COCCNCc1ccc2ncccc2c1 34a_100000238500_100011201679 [0,1,0,0,0,0|3,0,0]=4 4153 B17R2.5879 COCCNCc1cnc2ccccc2c1 207a_100000209980_100000750898 [0,1,0,0,0,0|3,0,0]=4 4154 B17R2.5879 COCCNCc1cnc2ccccc2c1 270004a_100000209980_100000750898 [0,1,0,0,0,0|3,0,0]=4 4155 B17R2.5879 COCCNCc1cnc2ccccc2c1 34a_100000742225_100011201679 [0,1,0,0,0,0|3,0,0]=4 4156 B17R2.5879 COCCOCc1cc2ccccc2cn1 34a_100000210237_100009869231 [0,1,0,0,0,0|2,0,0]=3 4157 B17R2.5879 COCCOCc1ccc2ccccc2c1 34a_100000210237_100011216711 [0,1,0,0,0,0|1,0,0]=2 4158 B17R2.5879 COCCOCc1ccc2ccccc2c1 34a_100011215330_100011201679 [0,1,0,0,0,0|1,0,0]=2 4159 B17R2.5879 COCCOCc1ccc2ccccc2c1 7a_100011215330_100000233755 [0,1,0,0,0,0|1,0,0]=2 4160 B17R2.5879 COCCOCc1ccc2ccccc2n1 34a_100000210237_100000737579 [0,1,0,0,0,0|2,0,0]=3 4161 B17R2.5879 COCCOCc1ccc2cnccc2c1 34a_100000210237_100020605334 [0,1,0,0,0,0|2,0,0]=3 4162 B17R2.5879 COCCOCc1ccc2ncccc2c1 34a_100000210237_100000703657 [0,1,0,0,0,0|2,0,0]=3 4163 B17R2.5879 COCCOCc1ccc2ncccc2c1 34a_100011315636_100011201679 [0,1,0,0,0,0|2,0,0]=3 4164 B17R2.5879 COCCOCc1cnc2ccccc2c1 34a_100011258773_100011201679 [0,1,0,0,0,0|2,0,0]=3 4165 B17R2.5879 COCCOCc1ncc2ccccc2n1 34a_100000210237_100009868571 [0,1,0,0,0,0|3,0,0]=4 4166 B17R2.5879 COCCSCc1cc2ccccc2cn1 62a_100000233755_100009869231 [0,1,0,0,0,0|2,1,0]=4 4167 B17R2.5879 COCCSCc1cc2ccccc2cn1 62a_100009869231_100000233755 [0,1,0,0,0,0|2,1,0]=4 4168 B17R2.5879 COCCSCc1ccc2ccccc2c1 62a_100000233755_100011216711 [0,1,0,0,0,0|1,1,0]=3 4169 B17R2.5879 COCCSCc1ccc2ccccc2c1 62a_100011216711_100000233755 [0,1,0,0,0,0|1,1,0]=3 4170 B17R2.5879 COCCSCc1ccc2ccccc2n1 62a_100000233755_100000737579 [0,1,0,0,0,0|2,1,0]=4 4171 B17R2.5879 COCCSCc1ccc2ccccc2n1 62a_100000737579_100000233755 [0,1,0,0,0,0|2,1,0]=4 4172 B17R2.5879 COCCSCc1ccc2cnccc2c1 62a_100000233755_100020605334 [0,1,0,0,0,0|2,1,0]=4 4173 B17R2.5879 COCCSCc1ccc2cnccc2c1 62a_100020605334_100000233755 [0,1,0,0,0,0|2,1,0]=4 4174 B17R2.5879 COCCSCc1ccc2ncccc2c1 62a_100000233755_100000703657 [0,1,0,0,0,0|2,1,0]=4 4175 B17R2.5879 COCCSCc1ccc2ncccc2c1 62a_100000703657_100000233755 [0,1,0,0,0,0|2,1,0]=4 4176 B17R2.5879 COCNCCc1ccc2ccccc2c1 2230a_100000746582_100000766300 [0,1,0,0,0,0|2,0,0]=3 4177 B17R2.5879 CSCCCNc1ccc2ccccc2n1 27a_100000749238_100011291633 [0,1,0,0,0,0|2,0,0]=3 4178 B17R2.5879 CSCCCNc1ccc2cccnc2n1 27a_100000749238_100000075685 [0,1,0,0,0,0|3,0,0]=4 4179 B17R2.5879 CSCCCNc1ccc2ccncc2n1 27a_100000749238_100000020162 [0,1,0,0,0,0|3,0,0]=4 4180 B17R2.5879 CSCCCNc1ccc2cncnc2c1 27a_100000749238_100010185614 [0,1,0,0,0,0|3,0,0]=4 4181 B17R2.5879 CSCCCNc1ccc2ncccc2n1 27a_100000749238_100000073381 [0,1,0,0,0,0|3,0,0]=4 4182 B17R2.5879 CSCCCNc1ccc2nccnc2c1 27a_100000749238_100011219451 [0,1,0,0,0,0|3,0,0]=4 4183 B17R2.5879 CSCCCNc1cnc2ccccc2n1 27a_100000749238_100000756483 [0,1,0,0,0,0|3,0,0]=4 4184 B17R2.5879 CSCCCNc1ncc2ccccc2n1 27a_100000749238_100000097389 [0,1,0,0,0,0|3,0,0]=4 4185 B17R2.5879 CSCCCOc1ccc2ccccc2c1 62a_100000750887_200000210301 [0,1,0,0,0,0|0,0,0]=1 4186 B17R2.5879 CSCCCOc1ccc2ccccc2c1 62a_200000210301_100000750887 [0,1,0,0,0,0|0,0,0]=1 4187 B17R2.5879 CSCCNCc1cc2ccccc2cn1 207a_100020590264_100000059776 [0,1,0,0,0,0|3,0,0]=4 4188 B17R2.5879 CSCCNCc1cc2ccccc2cn1 2230a_100020590264_100009869231 [0,1,0,0,0,0|3,0,0]=4 4189 B17R2.5879 CSCCNCc1cc2ccccc2cn1 270004a_100020590264_100000059776 [0,1,0,0,0,0|3,0,0]=4 4190 B17R2.5879 CSCCNCc1ccc2ccccc2c1 207a_100020590264_100000211584 [0,1,0,0,0,0|2,0,0]=3 4191 B17R2.5879 CSCCNCc1ccc2ccccc2c1 2230a_100000739491_100000751147 [0,1,0,0,0,0|2,0,0]=3 4192 B17R2.5879 CSCCNCc1ccc2ccccc2c1 2230a_100020590264_100011216711 [0,1,0,0,0,0|2,0,0]=3 4193 B17R2.5879 CSCCNCc1ccc2ccccc2c1 270004a_100020590264_100000211584 [0,1,0,0,0,0|2,0,0]=3 4194 B17R2.5879 CSCCNCc1ccc2ccccc2c1 34a_100000739491_100000212216 [0,1,0,0,0,0|2,0,0]=3 4195 B17R2.5879 CSCCNCc1ccc2ccccc2n1 207a_100020590264_100000759686 [0,1,0,0,0,0|3,0,0]=4 4196 B17R2.5879 CSCCNCc1ccc2ccccc2n1 2230a_100020590264_100000737579 [0,1,0,0,0,0|3,0,0]=4 4197 B17R2.5879 CSCCNCc1ccc2ccccc2n1 270004a_100020590264_100000759686 [0,1,0,0,0,0|3,0,0]=4 4198 B17R2.5879 CSCCNCc1ccc2cccnc2c1 207a_100020590264_100011784159 [0,1,0,0,0,0|3,0,0]=4 4199 B17R2.5879 CSCCNCc1ccc2cccnc2c1 270004a_100020590264_100011784159 [0,1,0,0,0,0|3,0,0]=4 4200 B17R2.5879 CSCCNCc1ccc2cnccc2c1 207a_100020590264_100000068276 [0,1,0,0,0,0|3,0,0]=4 4201 B17R2.5879 CSCCNCc1ccc2cnccc2c1 2230a_100020590264_100020605334 [0,1,0,0,0,0|3,0,0]=4 4202 B17R2.5879 CSCCNCc1ccc2cnccc2c1 270004a_100020590264_100000068276 [0,1,0,0,0,0|3,0,0]=4 4203 B17R2.5879 CSCCNCc1ccc2ncccc2c1 207a_100020590264_100000211315 [0,1,0,0,0,0|3,0,0]=4 4204 B17R2.5879 CSCCNCc1ccc2ncccc2c1 2230a_100020590264_100000703657 [0,1,0,0,0,0|3,0,0]=4 4205 B17R2.5879 CSCCNCc1ccc2ncccc2c1 270004a_100020590264_100000211315 [0,1,0,0,0,0|3,0,0]=4 4206 B17R2.5879 CSCCNCc1ccc2ncccc2c1 34a_100000238500_100000212216 [0,1,0,0,0,0|3,0,0]=4 4207 B17R2.5879 CSCCNCc1cnc2ccccc2c1 207a_100020590264_100000750898 [0,1,0,0,0,0|3,0,0]=4 4208 B17R2.5879 CSCCNCc1cnc2ccccc2c1 270004a_100020590264_100000750898 [0,1,0,0,0,0|3,0,0]=4 4209 B17R2.5879 CSCCNCc1cnc2ccccc2c1 34a_100000742225_100000212216 [0,1,0,0,0,0|3,0,0]=4 4210 B17R2.5879 CSCCOCc1cc2ccccc2cn1 34a_100000230434_100009869231 [0,1,0,0,0,0|2,0,0]=3 4211 B17R2.5879 CSCCOCc1cc2ccccc2cn1 7a_100000230434_100009869231 [0,1,0,0,0,0|2,0,0]=3 4212 B17R2.5879 CSCCOCc1ccc2ccccc2c1 34a_100000230434_100011216711 [0,1,0,0,0,0|1,0,0]=2 4213 B17R2.5879 CSCCOCc1ccc2ccccc2c1 34a_100011215330_100000212216 [0,1,0,0,0,0|1,0,0]=2 4214 B17R2.5879 CSCCOCc1ccc2ccccc2c1 7a_100000230434_100011216711 [0,1,0,0,0,0|1,0,0]=2 4215 B17R2.5879 CSCCOCc1ccc2ccccc2c1 7a_100011215330_100000212216 [0,1,0,0,0,0|1,0,0]=2 4216 B17R2.5879 CSCCOCc1ccc2ccccc2n1 34a_100000230434_100000737579 [0,1,0,0,0,0|2,0,0]=3 4217 B17R2.5879 CSCCOCc1ccc2ccccc2n1 7a_100000230434_100000737579 [0,1,0,0,0,0|2,0,0]=3 4218 B17R2.5879 CSCCOCc1ccc2cnccc2c1 34a_100000230434_100020605334 [0,1,0,0,0,0|2,0,0]=3 4219 B17R2.5879 CSCCOCc1ccc2cnccc2c1 7a_100000230434_100020605334 [0,1,0,0,0,0|2,0,0]=3 4220 B17R2.5879 CSCCOCc1ccc2ncccc2c1 34a_100000230434_100000703657 [0,1,0,0,0,0|2,0,0]=3 4221 B17R2.5879 CSCCOCc1ccc2ncccc2c1 34a_100011315636_100000212216 [0,1,0,0,0,0|2,0,0]=3 4222 B17R2.5879 CSCCOCc1ccc2ncccc2c1 7a_100000230434_100000703657 [0,1,0,0,0,0|2,0,0]=3 4223 B17R2.5879 CSCCOCc1ccc2nccnc2c1 7a_100000230434_200011762199 [0,1,0,0,0,0|3,0,0]=4 4224 B17R2.5879 CSCCOCc1cnc2ccccc2c1 34a_100011258773_100000212216 [0,1,0,0,0,0|2,0,0]=3 4225 B17R2.5879 CSCCOCc1cnc2ccccc2n1 7a_100000230434_200000751123 [0,1,0,0,0,0|3,0,0]=4 4226 B17R2.5879 CSCCOCc1ncc2ccccc2n1 34a_100000230434_100009868571 [0,1,0,0,0,0|3,0,0]=4 4227 B17R2.5879 CSCCOCc1ncc2ccccc2n1 7a_100000230434_100009868571 [0,1,0,0,0,0|3,0,0]=4 4228 B17R2.5879 CSCCSCc1cc2ccccc2cn1 62a_100000212216_100009869231 [0,1,0,0,0,0|2,1,0]=4 4229 B17R2.5879 CSCCSCc1cc2ccccc2cn1 62a_100009869231_100000751147 [0,1,0,0,0,0|2,1,0]=4 4230 B17R2.5879 CSCCSCc1ccc2ccccc2c1 62a_100000212216_100011216711 [0,1,0,0,0,0|1,1,0]=3 4231 B17R2.5879 CSCCSCc1ccc2ccccc2c1 62a_100011216711_100000751147 [0,1,0,0,0,0|1,1,0]=3 4232 B17R2.5879 CSCCSCc1ccc2ccccc2n1 62a_100000212216_100000737579 [0,1,0,0,0,0|2,1,0]=4 4233 B17R2.5879 CSCCSCc1ccc2ccccc2n1 62a_100000737579_100000751147 [0,1,0,0,0,0|2,1,0]=4 4234 B17R2.5879 CSCCSCc1ccc2cnccc2c1 62a_100000212216_100020605334 [0,1,0,0,0,0|2,1,0]=4 4235 B17R2.5879 CSCCSCc1ccc2cnccc2c1 62a_100020605334_100000751147 [0,1,0,0,0,0|2,1,0]=4 4236 B17R2.5879 CSCCSCc1ccc2ncccc2c1 62a_100000212216_100000703657 [0,1,0,0,0,0|2,1,0]=4 4237 B17R2.5879 CSCCSCc1ccc2ncccc2c1 62a_100000703657_100000751147 [0,1,0,0,0,0|2,1,0]=4 4238 B17R2.5879 CSCNCCc1ccc2ccccc2c1 2230a_100000746582_100011218213 [0,1,0,0,0,0|2,0,0]=3 4239 B17R2.5879 CSCNCCc1ccc2ccccc2c1 34a_100000746582_100011218213 [0,1,0,0,0,0|2,0,0]=3 4240 B17R2.5879 CSCOCCc1ccc2ccccc2c1 34a_100000755654_100011218213 [0,1,0,0,0,0|2,0,0]=3 4241 B17R2.5879 CSCOCCc1ccc2ccccc2n1 34a_100011996444_100011218213 [0,1,0,0,0,0|3,0,0]=4 4242 B17R2.5879 ClCCCOCc1cc2ccccc2cn1 34a_100000230001_100009869231 [0,1,0,0,0,0|2,0,0]=3 4243 B17R2.5879 ClCCCOCc1ccc2ccccc2c1 34a_100000230001_100011216711 [0,1,0,0,0,0|1,0,0]=2 4244 B17R2.5879 ClCCCOCc1ccc2ccccc2n1 34a_100000230001_100000737579 [0,1,0,0,0,0|2,0,0]=3 4245 B17R2.5879 ClCCCOCc1ccc2cnccc2c1 34a_100000230001_100020605334 [0,1,0,0,0,0|2,0,0]=3 4246 B17R2.5879 ClCCCOCc1ccc2ncccc2c1 34a_100000230001_100000703657 [0,1,0,0,0,0|2,0,0]=3 4247 B17R2.5879 ClCCCOCc1ncc2ccccc2n1 34a_100000230001_100009868571 [0,1,0,0,0,0|3,0,0]=4 4248 B17R2.5879 FCCCCNc1ccc2ccccc2c1 34a_100000211940_100000729493 [0,1,0,0,0,0|1,0,0]=2 4249 B17R2.5879 FCCCCNc1ccc2ccccc2c1 7a_100000211940_100000729493 [0,1,0,0,0,0|1,0,0]=2 4250 B17R2.5879 FCCCCNc1ccc2cccnc2c1 34a_100102887122_100000729493 [0,1,0,0,0,0|2,0,0]=3 4251 B17R2.5879 FCCCCNc1ccc2cnccc2c1 34a_100000039641_100000729493 [0,1,0,0,0,0|2,0,0]=3 4252 B17R2.5879 FCCCCNc1ccc2ncccc2c1 34a_100011198106_100000729493 [0,1,0,0,0,0|2,0,0]=3 4253 B17R2.5879 FCCCCNc1ccc2nccnc2c1 34a_100011219565_100000729493 [0,1,0,0,0,0|3,0,0]=4 4254 B17R2.5879 FCCCCOc1ccc2ccccc2c1 34a_100000185828_100000729493 [0,1,0,0,0,0|0,0,0]=1 4255 B17R2.5879 FCCCCOc1ccc2ccccc2c1 7a_100000185828_100000729493 [0,1,0,0,0,0|0,0,0]=1 4256 B17R2.5879 FCCCCOc1ccc2cccnc2c1 34a_100011216045_100000729493 [0,1,0,0,0,0|1,0,0]=2 4257 B17R2.5879 FCCCCOc1ccc2ccncc2c1 7a_100000752006_100000729493 [0,1,0,0,0,0|1,0,0]=2 4258 B17R2.5879 FCCCCOc1ccc2cnccc2c1 34a_100000046372_100000729493 [0,1,0,0,0,0|1,0,0]=2 4259 B17R2.5879 FCCCCOc1ccc2cnccc2c1 7a_100000046372_100000729493 [0,1,0,0,0,0|1,0,0]=2 4260 B17R2.5879 FCCCCOc1ccc2ncccc2c1 34a_100011215586_100000729493 [0,1,0,0,0,0|1,0,0]=2 4261 B17R2.5879 FCCCCOc1ccc2ncccc2c1 7a_100011215586_100000729493 [0,1,0,0,0,0|1,0,0]=2 4262 B17R2.5879 FCCCCOc1ccc2nccnc2c1 34a_100000694412_100000729493 [0,1,0,0,0,0|2,0,0]=3 4263 B17R2.5879 FCCCCOc1cnc2ccccc2c1 34a_100011934006_100000729493 [0,1,0,0,0,0|1,0,0]=2 4264 B17R2.5879 FCCCCOc1cnc2ccccc2c1 7a_100011934006_100000729493 [0,1,0,0,0,0|1,0,0]=2 4265 B17R2.5879 FCCCCSc1cc2ccccc2cn1 62a_100000729493_100000047361 [0,1,0,0,0,0|1,1,0]=3 4266 B17R2.5879 FCCCCSc1cc2ccccc2cn1 62a_100009816522_100000729493 [0,1,0,0,0,0|1,1,0]=3 4267 B17R2.5879 FCCCCSc1ccc2ccccc2c1 62a_100000729493_100000233703 [0,1,0,0,0,0|0,1,0]=2 4268 B17R2.5879 FCCCCSc1ccc2ccccc2n1 62a_100000729493_100011291633 [0,1,0,0,0,0|1,1,0]=3 4269 B17R2.5879 FCCCCSc1ccc2ccccc2n1 62a_100011291633_100000729493 [0,1,0,0,0,0|1,1,0]=3 4270 B17R2.5879 FCCCCSc1ccc2cccnc2c1 62a_100000729493_100009816655 [0,1,0,0,0,0|1,1,0]=3 4271 B17R2.5879 FCCCCSc1ccc2cccnc2n1 62a_100000075685_100000729493 [0,1,0,0,0,0|2,1,0]=4 4272 B17R2.5879 FCCCCSc1ccc2cccnc2n1 62a_100000729493_100000075685 [0,1,0,0,0,0|2,1,0]=4 4273 B17R2.5879 FCCCCSc1ccc2ccncc2c1 62a_100000686496_100000729493 [0,1,0,0,0,0|1,1,0]=3 4274 B17R2.5879 FCCCCSc1ccc2ccncc2c1 62a_100000729493_100000686496 [0,1,0,0,0,0|1,1,0]=3 4275 B17R2.5879 FCCCCSc1ccc2ccncc2n1 62a_100000729493_100000020162 [0,1,0,0,0,0|2,1,0]=4 4276 B17R2.5879 FCCCCSc1ccc2cnccc2c1 62a_100000729493_100009816743 [0,1,0,0,0,0|1,1,0]=3 4277 B17R2.5879 FCCCCSc1ccc2cnccc2c1 62a_100009816743_100000729493 [0,1,0,0,0,0|1,1,0]=3 4278 B17R2.5879 FCCCCSc1ccc2cncnc2c1 62a_100000729493_100010185614 [0,1,0,0,0,0|2,1,0]=4 4279 B17R2.5879 FCCCCSc1ccc2cncnc2c1 62a_100010185614_100000729493 [0,1,0,0,0,0|2,1,0]=4 4280 B17R2.5879 FCCCCSc1ccc2cnncc2c1 62a_100000729493_100010198781 [0,1,0,0,0,0|2,1,0]=4 4281 B17R2.5879 FCCCCSc1ccc2cnncc2c1 62a_100010198781_100000729493 [0,1,0,0,0,0|2,1,0]=4 4282 B17R2.5879 FCCCCSc1ccc2ncccc2c1 62a_100000729493_100011215947 [0,1,0,0,0,0|1,1,0]=3 4283 B17R2.5879 FCCCCSc1ccc2ncccc2c1 62a_100011215947_100000729493 [0,1,0,0,0,0|1,1,0]=3 4284 B17R2.5879 FCCCCSc1ccc2ncccc2n1 62a_100000729493_100000073381 [0,1,0,0,0,0|2,1,0]=4 4285 B17R2.5879 FCCCCSc1ccc2nccnc2c1 62a_100000729493_100011219451 [0,1,0,0,0,0|2,1,0]=4 4286 B17R2.5879 FCCCCSc1ccc2nccnc2c1 62a_100011219451_100000729493 [0,1,0,0,0,0|2,1,0]=4 4287 B17R2.5879 FCCCCSc1ccc2ncncc2c1 62a_100000729493_100009989443 [0,1,0,0,0,0|2,1,0]=4 4288 B17R2.5879 FCCCCSc1ccc2ncncc2c1 62a_100009989443_100000729493 [0,1,0,0,0,0|2,1,0]=4 4289 B17R2.5879 FCCCCSc1ccc2nnccc2c1 62a_100000729493_100010209549 [0,1,0,0,0,0|2,1,0]=4 4290 B17R2.5879 FCCCCSc1ccc2nnccc2c1 62a_100010209549_100000729493 [0,1,0,0,0,0|2,1,0]=4 4291 B17R2.5879 FCCCCSc1cnc2ccccc2c1 62a_100000729493_100000737414 [0,1,0,0,0,0|1,1,0]=3 4292 B17R2.5879 FCCCCSc1cnc2ccccc2n1 62a_100000729493_100000756483 [0,1,0,0,0,0|2,1,0]=4 4293 B17R2.5879 FCCCCSc1cnc2ccccc2n1 62a_100000756483_100000729493 [0,1,0,0,0,0|2,1,0]=4 4294 B17R2.5879 FCCCCSc1cnc2cccnc2c1 62a_100000729493_100010246316 [0,1,0,0,0,0|2,1,0]=4 4295 B17R2.5879 FCCCCSc1cnc2cccnc2c1 62a_100010246316_100000729493 [0,1,0,0,0,0|2,1,0]=4 4296 B17R2.5879 FCCCCSc1ncc2ccccc2n1 62a_100000729493_100000097389 [0,1,0,0,0,0|2,1,0]=4 4297 B17R2.5879 FCCCNCc1cc2ccccc2cn1 207a_100015189416_100000059776 [0,1,0,0,0,0|3,0,0]=4 4298 B17R2.5879 FCCCNCc1cc2ccccc2cn1 2230a_100015189416_100009869231 [0,1,0,0,0,0|3,0,0]=4 4299 B17R2.5879 FCCCNCc1cc2ccccc2cn1 270004a_100015189416_100000059776 [0,1,0,0,0,0|3,0,0]=4 4300 B17R2.5879 FCCCNCc1cc2ccccc2cn1 34a_100015189416_100009869231 [0,1,0,0,0,0|3,0,0]=4 4301 B17R2.5879 FCCCNCc1ccc2ccccc2c1 207a_100015189416_100000211584 [0,1,0,0,0,0|2,0,0]=3 4302 B17R2.5879 FCCCNCc1ccc2ccccc2c1 2230a_100000739491_100011934791 [0,1,0,0,0,0|2,0,0]=3 4303 B17R2.5879 FCCCNCc1ccc2ccccc2c1 2230a_100015189416_100011216711 [0,1,0,0,0,0|2,0,0]=3 4304 B17R2.5879 FCCCNCc1ccc2ccccc2c1 270004a_100015189416_100000211584 [0,1,0,0,0,0|2,0,0]=3 4305 B17R2.5879 FCCCNCc1ccc2ccccc2c1 34a_100000739491_100011934791 [0,1,0,0,0,0|2,0,0]=3 4306 B17R2.5879 FCCCNCc1ccc2ccccc2c1 34a_100015189416_100011216711 [0,1,0,0,0,0|2,0,0]=3 4307 B17R2.5879 FCCCNCc1ccc2ccccc2n1 207a_100015189416_100000759686 [0,1,0,0,0,0|3,0,0]=4 4308 B17R2.5879 FCCCNCc1ccc2ccccc2n1 2230a_100015189416_100000737579 [0,1,0,0,0,0|3,0,0]=4 4309 B17R2.5879 FCCCNCc1ccc2ccccc2n1 270004a_100015189416_100000759686 [0,1,0,0,0,0|3,0,0]=4 4310 B17R2.5879 FCCCNCc1ccc2ccccc2n1 34a_100015189416_100000737579 [0,1,0,0,0,0|3,0,0]=4 4311 B17R2.5879 FCCCNCc1ccc2cccnc2c1 207a_100015189416_100011784159 [0,1,0,0,0,0|3,0,0]=4 4312 B17R2.5879 FCCCNCc1ccc2cccnc2c1 270004a_100015189416_100011784159 [0,1,0,0,0,0|3,0,0]=4 4313 B17R2.5879 FCCCNCc1ccc2cnccc2c1 207a_100015189416_100000068276 [0,1,0,0,0,0|3,0,0]=4 4314 B17R2.5879 FCCCNCc1ccc2cnccc2c1 2230a_100015189416_100020605334 [0,1,0,0,0,0|3,0,0]=4 4315 B17R2.5879 FCCCNCc1ccc2cnccc2c1 270004a_100015189416_100000068276 [0,1,0,0,0,0|3,0,0]=4 4316 B17R2.5879 FCCCNCc1ccc2cnccc2c1 34a_100015189416_100020605334 [0,1,0,0,0,0|3,0,0]=4 4317 B17R2.5879 FCCCNCc1ccc2ncccc2c1 207a_100015189416_100000211315 [0,1,0,0,0,0|3,0,0]=4 4318 B17R2.5879 FCCCNCc1ccc2ncccc2c1 2230a_100015189416_100000703657 [0,1,0,0,0,0|3,0,0]=4 4319 B17R2.5879 FCCCNCc1ccc2ncccc2c1 270004a_100015189416_100000211315 [0,1,0,0,0,0|3,0,0]=4 4320 B17R2.5879 FCCCNCc1ccc2ncccc2c1 34a_100000238500_100011934791 [0,1,0,0,0,0|3,0,0]=4 4321 B17R2.5879 FCCCNCc1ccc2ncccc2c1 34a_100015189416_100000703657 [0,1,0,0,0,0|3,0,0]=4 4322 B17R2.5879 FCCCNCc1cnc2ccccc2c1 207a_100015189416_100000750898 [0,1,0,0,0,0|3,0,0]=4 4323 B17R2.5879 FCCCNCc1cnc2ccccc2c1 270004a_100015189416_100000750898 [0,1,0,0,0,0|3,0,0]=4 4324 B17R2.5879 FCCCNCc1cnc2ccccc2c1 34a_100000742225_100011934791 [0,1,0,0,0,0|3,0,0]=4 4325 B17R2.5879 FCCCOCc1cc2ccccc2cn1 34a_100000759539_100009869231 [0,1,0,0,0,0|2,0,0]=3 4326 B17R2.5879 FCCCOCc1ccc2ccccc2c1 34a_100000759539_100011216711 [0,1,0,0,0,0|1,0,0]=2 4327 B17R2.5879 FCCCOCc1ccc2ccccc2c1 34a_100011215330_100011934791 [0,1,0,0,0,0|1,0,0]=2 4328 B17R2.5879 FCCCOCc1ccc2ccccc2c1 7a_100011215330_100011934791 [0,1,0,0,0,0|1,0,0]=2 4329 B17R2.5879 FCCCOCc1ccc2ccccc2n1 34a_100000759539_100000737579 [0,1,0,0,0,0|2,0,0]=3 4330 B17R2.5879 FCCCOCc1ccc2cnccc2c1 34a_100000759539_100020605334 [0,1,0,0,0,0|2,0,0]=3 4331 B17R2.5879 FCCCOCc1ccc2ncccc2c1 34a_100000759539_100000703657 [0,1,0,0,0,0|2,0,0]=3 4332 B17R2.5879 FCCCOCc1ccc2ncccc2c1 34a_100011315636_100011934791 [0,1,0,0,0,0|2,0,0]=3 4333 B17R2.5879 FCCCOCc1cnc2ccccc2c1 34a_100011258773_100011934791 [0,1,0,0,0,0|2,0,0]=3 4334 B17R2.5879 FCCCOCc1ncc2ccccc2n1 34a_100000759539_100009868571 [0,1,0,0,0,0|3,0,0]=4 4335 B17R2.5879 FCCCSCc1cc2ccccc2cn1 62a_100009869231_100011934791 [0,1,0,0,0,0|2,1,0]=4 4336 B17R2.5879 FCCCSCc1cc2ccccc2cn1 62a_100011934791_100009869231 [0,1,0,0,0,0|2,1,0]=4 4337 B17R2.5879 FCCCSCc1ccc2ccccc2c1 62a_100011216711_100011934791 [0,1,0,0,0,0|1,1,0]=3 4338 B17R2.5879 FCCCSCc1ccc2ccccc2c1 62a_100011934791_100011216711 [0,1,0,0,0,0|1,1,0]=3 4339 B17R2.5879 FCCCSCc1ccc2ccccc2n1 62a_100000737579_100011934791 [0,1,0,0,0,0|2,1,0]=4 4340 B17R2.5879 FCCCSCc1ccc2ccccc2n1 62a_100011934791_100000737579 [0,1,0,0,0,0|2,1,0]=4 4341 B17R2.5879 FCCCSCc1ccc2cnccc2c1 62a_100011934791_100020605334 [0,1,0,0,0,0|2,1,0]=4 4342 B17R2.5879 FCCCSCc1ccc2cnccc2c1 62a_100020605334_100011934791 [0,1,0,0,0,0|2,1,0]=4 4343 B17R2.5879 FCCCSCc1ccc2ncccc2c1 62a_100000703657_100011934791 [0,1,0,0,0,0|2,1,0]=4 4344 B17R2.5879 FCCCSCc1ccc2ncccc2c1 62a_100011934791_100000703657 [0,1,0,0,0,0|2,1,0]=4 4345 B17R2.5879 FCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011217306 [0,1,0,0,0,0|2,0,0]=3 4346 B17R2.5879 FCCNCCc1ccc2ccccc2c1 34a_100000746582_100011217306 [0,1,0,0,0,0|2,0,0]=3 4347 B17R2.5879 FCCOCCc1ccc2ccccc2c1 34a_100000755654_100011217306 [0,1,0,0,0,0|2,0,0]=3 4348 B17R2.5879 FCCOCCc1ccc2ccccc2c1 7a_100000755654_100011217306 [0,1,0,0,0,0|2,0,0]=3 4349 B17R2.5879 FCCOCCc1ccc2ccccc2n1 34a_100011996444_100011217306 [0,1,0,0,0,0|3,0,0]=4 4350 B17R2.5879 FCOCCOc1ccc2ccccc2c1 34a_200011219602_100015361967 [0,1,0,0,0,0|1,0,0]=2 4351 B17R2.5879 FCOCCOc1ccc2ccccc2c1 7a_200011219602_100015361967 [0,1,0,0,0,0|1,0,0]=2 4352 B17R2.5879 N#CCCCNc1ccc2ccccc2c1 7a_100000211940_100000687738 [0,1,0,0,0,0|1,0,1]=3 4353 B17R2.5879 N#CCCCOc1ccc2ccccc2c1 7a_100000185828_100000687738 [0,1,0,0,0,0|0,0,1]=2 4354 B17R2.5879 N#CCCCOc1ccc2ccncc2c1 7a_100000752006_100000687738 [0,1,0,0,0,0|1,0,1]=3 4355 B17R2.5879 N#CCCCOc1ccc2cnccc2c1 7a_100000046372_100000687738 [0,1,0,0,0,0|1,0,1]=3 4356 B17R2.5879 N#CCCCOc1ccc2ncccc2c1 7a_100011215586_100000687738 [0,1,0,0,0,0|1,0,1]=3 4357 B17R2.5879 N#CCCCOc1cnc2ccccc2c1 7a_100011934006_100000687738 [0,1,0,0,0,0|1,0,1]=3 4358 B17R2.5879 N#CCCCSc1cc2ccccc2cn1 62a_100000687738_100000047361 [0,1,0,0,0,0|1,1,1]=4 4359 B17R2.5879 N#CCCCSc1cc2ccccc2cn1 62a_100009816522_100000687738 [0,1,0,0,0,0|1,1,1]=4 4360 B17R2.5879 N#CCCCSc1ccc2ccccc2c1 62a_100000687738_100000233703 [0,1,0,0,0,0|0,1,1]=3 4361 B17R2.5879 N#CCCCSc1ccc2ccccc2n1 62a_100000687738_100011291633 [0,1,0,0,0,0|1,1,1]=4 4362 B17R2.5879 N#CCCCSc1ccc2ccccc2n1 62a_100011291633_100000687738 [0,1,0,0,0,0|1,1,1]=4 4363 B17R2.5879 N#CCCCSc1ccc2cccnc2c1 62a_100000687738_100009816655 [0,1,0,0,0,0|1,1,1]=4 4364 B17R2.5879 N#CCCCSc1ccc2ccncc2c1 62a_100000686496_100000687738 [0,1,0,0,0,0|1,1,1]=4 4365 B17R2.5879 N#CCCCSc1ccc2ccncc2c1 62a_100000687738_100000686496 [0,1,0,0,0,0|1,1,1]=4 4366 B17R2.5879 N#CCCCSc1ccc2cnccc2c1 62a_100000687738_100009816743 [0,1,0,0,0,0|1,1,1]=4 4367 B17R2.5879 N#CCCCSc1ccc2cnccc2c1 62a_100009816743_100000687738 [0,1,0,0,0,0|1,1,1]=4 4368 B17R2.5879 N#CCCCSc1ccc2ncccc2c1 62a_100000687738_100011215947 [0,1,0,0,0,0|1,1,1]=4 4369 B17R2.5879 N#CCCCSc1ccc2ncccc2c1 62a_100011215947_100000687738 [0,1,0,0,0,0|1,1,1]=4 4370 B17R2.5879 N#CCCCSc1cnc2ccccc2c1 62a_100000687738_100000737414 [0,1,0,0,0,0|1,1,1]=4 4371 B17R2.5879 N#CCCNCc1ccc2ccccc2c1 2230a_100000739491_100011215226 [0,1,0,0,0,0|2,0,1]=4 4372 B17R2.5879 N#CCCNCc1ccc2ccccc2c1 270004a_100000720768_100000211584 [0,1,0,0,0,0|2,0,1]=4 4373 B17R2.5879 N#CCCOCc1ccc2ccccc2c1 7a_100011215330_100000184422 [0,1,0,0,0,0|1,0,1]=3 4374 B17R2.5879 N#CCCSCc1ccc2ccccc2c1 62a_100011215226_100011216711 [0,1,0,0,0,0|1,1,1]=4 4375 B17R2.5879 N#CCCSCc1ccc2ccccc2c1 62a_100011216711_100011215226 [0,1,0,0,0,0|1,1,1]=4 4376 B17R2.5879 N#CCNCCc1ccc2ccccc2c1 2230a_100000746582_100011215382 [0,1,0,0,0,0|2,0,1]=4 4377 B17R2.5879 N#CCOCCc1ccc2ccccc2c1 7a_100000755654_100011215382 [0,1,0,0,0,0|2,0,1]=4 4378 B17R2.5879 N#CSCCSc1ccc2ccccc2c1 62a_100000034367_100000233703 [0,1,0,0,0,0|1,1,1]=4 4379 B17R2.5879 NCCCOCc1cc2ccccc2cn1 34a_100000182051_100009869231 [0,1,0,0,0,0|2,0,0]=3 4380 B17R2.5879 NCCCOCc1ccc2ccccc2c1 34a_100000182051_100011216711 [0,1,0,0,0,0|1,0,0]=2 4381 B17R2.5879 NCCCOCc1ccc2ccccc2n1 34a_100000182051_100000737579 [0,1,0,0,0,0|2,0,0]=3 4382 B17R2.5879 NCCCOCc1ccc2cnccc2c1 34a_100000182051_100020605334 [0,1,0,0,0,0|2,0,0]=3 4383 B17R2.5879 NCCCOCc1ccc2ncccc2c1 34a_100000182051_100000703657 [0,1,0,0,0,0|2,0,0]=3 4384 B17R2.5879 NCCCOCc1ncc2ccccc2n1 34a_100000182051_100009868571 [0,1,0,0,0,0|3,0,0]=4 4385 B17R2.5879 NOCCOCc1cc2ccccc2cn1 34a_100000700252_100009869231 [0,1,0,0,0,0|3,0,0]=4 4386 B17R2.5879 NOCCOCc1ccc2ccccc2c1 34a_100000700252_100011216711 [0,1,0,0,0,0|2,0,0]=3 4387 B17R2.5879 NOCCOCc1ccc2ccccc2n1 34a_100000700252_100000737579 [0,1,0,0,0,0|3,0,0]=4 4388 B17R2.5879 NOCCOCc1ccc2cnccc2c1 34a_100000700252_100020605334 [0,1,0,0,0,0|3,0,0]=4 4389 B17R2.5879 NOCCOCc1ccc2ncccc2c1 34a_100000700252_100000703657 [0,1,0,0,0,0|3,0,0]=4 4390 B17R2.5879 O=CCCCNc1ccc2ccccc2c1 7a_100000211940_200011292268 [0,1,0,0,0,0|1,0,1]=3 4391 B17R2.5879 O=CCCCOc1ccc2ccccc2c1 7a_100000185828_200011292268 [0,1,0,0,0,0|0,0,1]=2 4392 B17R2.5879 O=CCCCOc1ccc2ccncc2c1 7a_100000752006_200011292268 [0,1,0,0,0,0|1,0,1]=3 4393 B17R2.5879 O=CCCCOc1ccc2cnccc2c1 7a_100000046372_200011292268 [0,1,0,0,0,0|1,0,1]=3 4394 B17R2.5879 O=CCCCOc1ccc2ncccc2c1 7a_100011215586_200011292268 [0,1,0,0,0,0|1,0,1]=3 4395 B17R2.5879 O=CCCCOc1cnc2ccccc2c1 7a_100011934006_200011292268 [0,1,0,0,0,0|1,0,1]=3 4396 B17R2.5879 O=CCCCSc1cc2ccccc2cn1 62a_100009816522_200011292268 [0,1,0,0,0,0|1,1,1]=4 4397 B17R2.5879 O=CCCCSc1cc2ccccc2cn1 62a_200011292268_100000047361 [0,1,0,0,0,0|1,1,1]=4 4398 B17R2.5879 O=CCCCSc1ccc2ccccc2c1 62a_200011292268_100000233703 [0,1,0,0,0,0|0,1,1]=3 4399 B17R2.5879 O=CCCCSc1ccc2ccccc2n1 62a_100011291633_200011292268 [0,1,0,0,0,0|1,1,1]=4 4400 B17R2.5879 O=CCCCSc1ccc2ccccc2n1 62a_200011292268_100011291633 [0,1,0,0,0,0|1,1,1]=4 4401 B17R2.5879 O=CCCCSc1ccc2cccnc2c1 62a_200011292268_100009816655 [0,1,0,0,0,0|1,1,1]=4 4402 B17R2.5879 O=CCCCSc1ccc2ccncc2c1 62a_100000686496_200011292268 [0,1,0,0,0,0|1,1,1]=4 4403 B17R2.5879 O=CCCCSc1ccc2ccncc2c1 62a_200011292268_100000686496 [0,1,0,0,0,0|1,1,1]=4 4404 B17R2.5879 O=CCCCSc1ccc2cnccc2c1 62a_100009816743_200011292268 [0,1,0,0,0,0|1,1,1]=4 4405 B17R2.5879 O=CCCCSc1ccc2cnccc2c1 62a_200011292268_100009816743 [0,1,0,0,0,0|1,1,1]=4 4406 B17R2.5879 O=CCCCSc1ccc2ncccc2c1 62a_100011215947_200011292268 [0,1,0,0,0,0|1,1,1]=4 4407 B17R2.5879 O=CCCCSc1ccc2ncccc2c1 62a_200011292268_100011215947 [0,1,0,0,0,0|1,1,1]=4 4408 B17R2.5879 O=CCCCSc1cnc2ccccc2c1 62a_200011292268_100000737414 [0,1,0,0,0,0|1,1,1]=4 4409 B17R2.5879 O=CCNCCc1ccc2ccccc2c1 2230a_100000746582_200015260668 [0,1,0,0,0,0|2,0,1]=4 4410 B17R2.5879 O=CCNCCc1ccc2ccccc2c1 34a_100000746582_200009817547 [0,1,0,0,0,0|2,0,1]=4 4411 B17R2.5879 O=CCOCCc1ccc2ccccc2c1 34a_100000755654_200009817547 [0,1,0,0,0,0|2,0,1]=4 4412 B17R2.5879 O=CCOCCc1ccc2ccccc2c1 7a_100000755654_200015260668 [0,1,0,0,0,0|2,0,1]=4 4413 B17R2.5879 OCC#CCNc1ccc2ccccc2c1 34a_100000211940_200000047223 [0,1,0,0,0,0|1,0,2]=4 4414 B17R2.5879 OCC#CCNc1ccc2ccccc2c1 7a_100000211940_200000047223 [0,1,0,0,0,0|1,0,2]=4 4415 B17R2.5879 OCC#CCOc1ccc2ccccc2c1 34a_100000185828_200000047223 [0,1,0,0,0,0|0,0,2]=3 4416 B17R2.5879 OCC#CCOc1ccc2ccccc2c1 7a_100000185828_200000047223 [0,1,0,0,0,0|0,0,2]=3 4417 B17R2.5879 OCC#CCOc1ccc2cccnc2c1 34a_100011216045_200000047223 [0,1,0,0,0,0|1,0,2]=4 4418 B17R2.5879 OCC#CCOc1ccc2ccncc2c1 7a_100000752006_200000047223 [0,1,0,0,0,0|1,0,2]=4 4419 B17R2.5879 OCC#CCOc1ccc2cnccc2c1 34a_100000046372_200000047223 [0,1,0,0,0,0|1,0,2]=4 4420 B17R2.5879 OCC#CCOc1ccc2cnccc2c1 7a_100000046372_200000047223 [0,1,0,0,0,0|1,0,2]=4 4421 B17R2.5879 OCC#CCOc1ccc2ncccc2c1 34a_100011215586_200000047223 [0,1,0,0,0,0|1,0,2]=4 4422 B17R2.5879 OCC#CCOc1ccc2ncccc2c1 7a_100011215586_200000047223 [0,1,0,0,0,0|1,0,2]=4 4423 B17R2.5879 OCC#CCOc1cnc2ccccc2c1 34a_100011934006_200000047223 [0,1,0,0,0,0|1,0,2]=4 4424 B17R2.5879 OCC#CCOc1cnc2ccccc2c1 7a_100011934006_200000047223 [0,1,0,0,0,0|1,0,2]=4 4425 B17R2.5879 OCC#CCSc1ccc2ccccc2c1 62a_200000047223_100000233703 [0,1,0,0,0,0|0,1,2]=4 4426 B17R2.5879 OCCCCNc1ccc2ccccc2c1 34a_100000211940_100011216708 [0,1,0,0,0,0|1,0,0]=2 4427 B17R2.5879 OCCCCNc1ccc2ccccc2c1 7a_100000211940_100000210776 [0,1,0,0,0,0|1,0,0]=2 4428 B17R2.5879 OCCCCNc1ccc2ccccc2n1 27a_100000750430_100011291633 [0,1,0,0,0,0|2,0,0]=3 4429 B17R2.5879 OCCCCNc1ccc2cccnc2c1 34a_100102887122_100011216708 [0,1,0,0,0,0|2,0,0]=3 4430 B17R2.5879 OCCCCNc1ccc2cccnc2n1 27a_100000750430_100000075685 [0,1,0,0,0,0|3,0,0]=4 4431 B17R2.5879 OCCCCNc1ccc2ccncc2n1 27a_100000750430_100000020162 [0,1,0,0,0,0|3,0,0]=4 4432 B17R2.5879 OCCCCNc1ccc2cnccc2c1 34a_100000039641_100011216708 [0,1,0,0,0,0|2,0,0]=3 4433 B17R2.5879 OCCCCNc1ccc2cncnc2c1 27a_100000750430_100010185614 [0,1,0,0,0,0|3,0,0]=4 4434 B17R2.5879 OCCCCNc1ccc2ncccc2c1 34a_100011198106_100011216708 [0,1,0,0,0,0|2,0,0]=3 4435 B17R2.5879 OCCCCNc1ccc2ncccc2n1 27a_100000750430_100000073381 [0,1,0,0,0,0|3,0,0]=4 4436 B17R2.5879 OCCCCNc1ccc2nccnc2c1 27a_100000750430_100011219451 [0,1,0,0,0,0|3,0,0]=4 4437 B17R2.5879 OCCCCNc1ccc2nccnc2c1 34a_100011219565_100011216708 [0,1,0,0,0,0|3,0,0]=4 4438 B17R2.5879 OCCCCNc1cnc2ccccc2n1 27a_100000750430_100000756483 [0,1,0,0,0,0|3,0,0]=4 4439 B17R2.5879 OCCCCNc1ncc2ccccc2n1 27a_100000750430_100000097389 [0,1,0,0,0,0|3,0,0]=4 4440 B17R2.5879 OCCCCOc1ccc2ccccc2c1 34a_100000185828_100011216708 [0,1,0,0,0,0|0,0,0]=1 4441 B17R2.5879 OCCCCOc1ccc2ccccc2c1 7a_100000185828_100000210776 [0,1,0,0,0,0|0,0,0]=1 4442 B17R2.5879 OCCCCOc1ccc2cccnc2c1 34a_100011216045_100011216708 [0,1,0,0,0,0|1,0,0]=2 4443 B17R2.5879 OCCCCOc1ccc2ccncc2c1 7a_100000752006_100000210776 [0,1,0,0,0,0|1,0,0]=2 4444 B17R2.5879 OCCCCOc1ccc2cnccc2c1 34a_100000046372_100011216708 [0,1,0,0,0,0|1,0,0]=2 4445 B17R2.5879 OCCCCOc1ccc2cnccc2c1 7a_100000046372_100000210776 [0,1,0,0,0,0|1,0,0]=2 4446 B17R2.5879 OCCCCOc1ccc2ncccc2c1 34a_100011215586_100011216708 [0,1,0,0,0,0|1,0,0]=2 4447 B17R2.5879 OCCCCOc1ccc2ncccc2c1 7a_100011215586_100000210776 [0,1,0,0,0,0|1,0,0]=2 4448 B17R2.5879 OCCCCOc1ccc2nccnc2c1 34a_100000694412_100011216708 [0,1,0,0,0,0|2,0,0]=3 4449 B17R2.5879 OCCCCOc1cnc2ccccc2c1 34a_100011934006_100011216708 [0,1,0,0,0,0|1,0,0]=2 4450 B17R2.5879 OCCCCOc1cnc2ccccc2c1 7a_100011934006_100000210776 [0,1,0,0,0,0|1,0,0]=2 4451 B17R2.5879 OCCCCSc1cc2ccccc2cn1 62a_100000210776_100000047361 [0,1,0,0,0,0|1,1,0]=3 4452 B17R2.5879 OCCCCSc1cc2ccccc2cn1 62a_100009816522_100000210776 [0,1,0,0,0,0|1,1,0]=3 4453 B17R2.5879 OCCCCSc1ccc2ccccc2c1 62a_100000210776_100000233703 [0,1,0,0,0,0|0,1,0]=2 4454 B17R2.5879 OCCCCSc1ccc2ccccc2n1 62a_100000210776_100011291633 [0,1,0,0,0,0|1,1,0]=3 4455 B17R2.5879 OCCCCSc1ccc2ccccc2n1 62a_100011291633_100000210776 [0,1,0,0,0,0|1,1,0]=3 4456 B17R2.5879 OCCCCSc1ccc2cccnc2c1 62a_100000210776_100009816655 [0,1,0,0,0,0|1,1,0]=3 4457 B17R2.5879 OCCCCSc1ccc2cccnc2n1 62a_100000075685_100000210776 [0,1,0,0,0,0|2,1,0]=4 4458 B17R2.5879 OCCCCSc1ccc2cccnc2n1 62a_100000210776_100000075685 [0,1,0,0,0,0|2,1,0]=4 4459 B17R2.5879 OCCCCSc1ccc2ccncc2c1 62a_100000210776_100000686496 [0,1,0,0,0,0|1,1,0]=3 4460 B17R2.5879 OCCCCSc1ccc2ccncc2c1 62a_100000686496_100000210776 [0,1,0,0,0,0|1,1,0]=3 4461 B17R2.5879 OCCCCSc1ccc2ccncc2n1 62a_100000210776_100000020162 [0,1,0,0,0,0|2,1,0]=4 4462 B17R2.5879 OCCCCSc1ccc2cnccc2c1 62a_100000210776_100009816743 [0,1,0,0,0,0|1,1,0]=3 4463 B17R2.5879 OCCCCSc1ccc2cnccc2c1 62a_100009816743_100000210776 [0,1,0,0,0,0|1,1,0]=3 4464 B17R2.5879 OCCCCSc1ccc2cncnc2c1 62a_100000210776_100010185614 [0,1,0,0,0,0|2,1,0]=4 4465 B17R2.5879 OCCCCSc1ccc2cncnc2c1 62a_100010185614_100000210776 [0,1,0,0,0,0|2,1,0]=4 4466 B17R2.5879 OCCCCSc1ccc2cnncc2c1 62a_100000210776_100010198781 [0,1,0,0,0,0|2,1,0]=4 4467 B17R2.5879 OCCCCSc1ccc2cnncc2c1 62a_100010198781_100000210776 [0,1,0,0,0,0|2,1,0]=4 4468 B17R2.5879 OCCCCSc1ccc2ncccc2c1 62a_100000210776_100011215947 [0,1,0,0,0,0|1,1,0]=3 4469 B17R2.5879 OCCCCSc1ccc2ncccc2c1 62a_100011215947_100000210776 [0,1,0,0,0,0|1,1,0]=3 4470 B17R2.5879 OCCCCSc1ccc2ncccc2n1 62a_100000210776_100000073381 [0,1,0,0,0,0|2,1,0]=4 4471 B17R2.5879 OCCCCSc1ccc2nccnc2c1 62a_100000210776_100011219451 [0,1,0,0,0,0|2,1,0]=4 4472 B17R2.5879 OCCCCSc1ccc2nccnc2c1 62a_100011219451_100000210776 [0,1,0,0,0,0|2,1,0]=4 4473 B17R2.5879 OCCCCSc1ccc2ncncc2c1 62a_100000210776_100009989443 [0,1,0,0,0,0|2,1,0]=4 4474 B17R2.5879 OCCCCSc1ccc2ncncc2c1 62a_100009989443_100000210776 [0,1,0,0,0,0|2,1,0]=4 4475 B17R2.5879 OCCCCSc1ccc2nnccc2c1 62a_100000210776_100010209549 [0,1,0,0,0,0|2,1,0]=4 4476 B17R2.5879 OCCCCSc1ccc2nnccc2c1 62a_100010209549_100000210776 [0,1,0,0,0,0|2,1,0]=4 4477 B17R2.5879 OCCCCSc1cnc2ccccc2c1 62a_100000210776_100000737414 [0,1,0,0,0,0|1,1,0]=3 4478 B17R2.5879 OCCCCSc1cnc2ccccc2n1 62a_100000210776_100000756483 [0,1,0,0,0,0|2,1,0]=4 4479 B17R2.5879 OCCCCSc1cnc2ccccc2n1 62a_100000756483_100000210776 [0,1,0,0,0,0|2,1,0]=4 4480 B17R2.5879 OCCCCSc1cnc2cccnc2c1 62a_100000210776_100010246316 [0,1,0,0,0,0|2,1,0]=4 4481 B17R2.5879 OCCCCSc1cnc2cccnc2c1 62a_100010246316_100000210776 [0,1,0,0,0,0|2,1,0]=4 4482 B17R2.5879 OCCCCSc1ncc2ccccc2n1 62a_100000210776_100000097389 [0,1,0,0,0,0|2,1,0]=4 4483 B17R2.5879 OCCCNCc1cc2ccccc2cn1 207a_100000182051_100000059776 [0,1,0,0,0,0|3,0,0]=4 4484 B17R2.5879 OCCCNCc1cc2ccccc2cn1 270004a_100000182051_100000059776 [0,1,0,0,0,0|3,0,0]=4 4485 B17R2.5879 OCCCNCc1ccc2ccccc2c1 207a_100000182051_100000211584 [0,1,0,0,0,0|2,0,0]=3 4486 B17R2.5879 OCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000230001 [0,1,0,0,0,0|2,0,0]=3 4487 B17R2.5879 OCCCNCc1ccc2ccccc2c1 270004a_100000182051_100000211584 [0,1,0,0,0,0|2,0,0]=3 4488 B17R2.5879 OCCCNCc1ccc2ccccc2c1 34a_100000739491_100000230001 [0,1,0,0,0,0|2,0,0]=3 4489 B17R2.5879 OCCCNCc1ccc2ccccc2n1 207a_100000182051_100000759686 [0,1,0,0,0,0|3,0,0]=4 4490 B17R2.5879 OCCCNCc1ccc2ccccc2n1 270004a_100000182051_100000759686 [0,1,0,0,0,0|3,0,0]=4 4491 B17R2.5879 OCCCNCc1ccc2cccnc2c1 207a_100000182051_100011784159 [0,1,0,0,0,0|3,0,0]=4 4492 B17R2.5879 OCCCNCc1ccc2cccnc2c1 270004a_100000182051_100011784159 [0,1,0,0,0,0|3,0,0]=4 4493 B17R2.5879 OCCCNCc1ccc2cnccc2c1 207a_100000182051_100000068276 [0,1,0,0,0,0|3,0,0]=4 4494 B17R2.5879 OCCCNCc1ccc2cnccc2c1 270004a_100000182051_100000068276 [0,1,0,0,0,0|3,0,0]=4 4495 B17R2.5879 OCCCNCc1ccc2ncccc2c1 207a_100000182051_100000211315 [0,1,0,0,0,0|3,0,0]=4 4496 B17R2.5879 OCCCNCc1ccc2ncccc2c1 270004a_100000182051_100000211315 [0,1,0,0,0,0|3,0,0]=4 4497 B17R2.5879 OCCCNCc1ccc2ncccc2c1 34a_100000238500_100000230001 [0,1,0,0,0,0|3,0,0]=4 4498 B17R2.5879 OCCCNCc1cnc2ccccc2c1 207a_100000182051_100000750898 [0,1,0,0,0,0|3,0,0]=4 4499 B17R2.5879 OCCCNCc1cnc2ccccc2c1 270004a_100000182051_100000750898 [0,1,0,0,0,0|3,0,0]=4 4500 B17R2.5879 OCCCNCc1cnc2ccccc2c1 34a_100000742225_100000230001 [0,1,0,0,0,0|3,0,0]=4 4501 B17R2.5879 OCCCOCc1ccc2ccccc2c1 34a_100011215330_100000230001 [0,1,0,0,0,0|1,0,0]=2 4502 B17R2.5879 OCCCOCc1ccc2ccccc2c1 7a_100011215330_100011215043 [0,1,0,0,0,0|1,0,0]=2 4503 B17R2.5879 OCCCOCc1ccc2ncccc2c1 34a_100011315636_100000230001 [0,1,0,0,0,0|2,0,0]=3 4504 B17R2.5879 OCCCOCc1cnc2ccccc2c1 34a_100011258773_100000230001 [0,1,0,0,0,0|2,0,0]=3 4505 B17R2.5879 OCCCSCc1cc2ccccc2cn1 62a_100009869231_100011215043 [0,1,0,0,0,0|2,1,0]=4 4506 B17R2.5879 OCCCSCc1cc2ccccc2cn1 62a_100011215043_100009869231 [0,1,0,0,0,0|2,1,0]=4 4507 B17R2.5879 OCCCSCc1ccc2ccccc2c1 62a_100011215043_100011216711 [0,1,0,0,0,0|1,1,0]=3 4508 B17R2.5879 OCCCSCc1ccc2ccccc2c1 62a_100011216711_100011215043 [0,1,0,0,0,0|1,1,0]=3 4509 B17R2.5879 OCCCSCc1ccc2ccccc2n1 62a_100000737579_100011215043 [0,1,0,0,0,0|2,1,0]=4 4510 B17R2.5879 OCCCSCc1ccc2ccccc2n1 62a_100011215043_100000737579 [0,1,0,0,0,0|2,1,0]=4 4511 B17R2.5879 OCCCSCc1ccc2cnccc2c1 62a_100011215043_100020605334 [0,1,0,0,0,0|2,1,0]=4 4512 B17R2.5879 OCCCSCc1ccc2cnccc2c1 62a_100020605334_100011215043 [0,1,0,0,0,0|2,1,0]=4 4513 B17R2.5879 OCCCSCc1ccc2ncccc2c1 62a_100000703657_100011215043 [0,1,0,0,0,0|2,1,0]=4 4514 B17R2.5879 OCCCSCc1ccc2ncccc2c1 62a_100011215043_100000703657 [0,1,0,0,0,0|2,1,0]=4 4515 B17R2.5879 OCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000211926 [0,1,0,0,0,0|2,0,0]=3 4516 B17R2.5879 OCCNCCc1ccc2ccccc2c1 34a_100000746582_100000211926 [0,1,0,0,0,0|2,0,0]=3 4517 B17R2.5879 OCCNN=Cc1ccc2ccccc2c1 4a_100000210001_100000211584 [0,1,0,0,0,0|3,0,0]=4 4518 B17R2.5879 OCCOCCc1ccc2ccccc2c1 34a_100000755654_100000211926 [0,1,0,0,0,0|2,0,0]=3 4519 B17R2.5879 OCCOCCc1ccc2ccccc2c1 7a_100000755654_100000211926 [0,1,0,0,0,0|2,0,0]=3 4520 B17R2.5879 OCCOCCc1ccc2ccccc2n1 34a_100011996444_100000211926 [0,1,0,0,0,0|3,0,0]=4 4521 B17R2.5879 [13CH3]SCCCOc1ccc2ccccc2c1 62a_100000750887_200025704644 [0,1,0,0,0,0|0,0,0]=1 4522 B17R2.5879 [13CH3]SCCCOc1ccc2ccccc2c1 62a_200025704644_100000750887 [0,1,0,0,0,0|0,0,0]=1 4523 B17R2.12072 C#CCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000688953 [0,1,0,0,0,0|1,0,2]=4 4524 B17R2.12072 C#CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000688953 [0,1,0,0,0,0|1,0,2]=4 4525 B17R2.12072 C#CCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000688953 [0,1,0,0,0,0|0,0,2]=3 4526 B17R2.12072 C#CCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000688953 [0,1,0,0,0,0|0,0,2]=3 4527 B17R2.12072 C#CCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000688953 [0,1,0,0,0,0|1,0,2]=4 4528 B17R2.12072 C#CCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000688953 [0,1,0,0,0,0|1,0,2]=4 4529 B17R2.12072 C#CCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000688953 [0,1,0,0,0,0|1,0,2]=4 4530 B17R2.12072 C#CCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000688953 [0,1,0,0,0,0|1,0,2]=4 4531 B17R2.12072 C#CCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000688953 [0,1,0,0,0,0|1,0,2]=4 4532 B17R2.12072 C#CCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000688953 [0,1,0,0,0,0|1,0,2]=4 4533 B17R2.12072 C#CCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000688953 [0,1,0,0,0,0|1,0,2]=4 4534 B17R2.12072 C#CCCSc1cc(c2ccccc2c1)N 62a_100000688953_100010171453 [0,1,0,0,0,0|0,1,2]=4 4535 B17R2.12072 C#CCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000688953 [0,1,0,0,0,0|0,1,2]=4 4536 B17R2.12072 C#CCCSc1cc(c2ccccc2c1)O 62a_100000688953_100010089979 [0,1,0,0,0,0|0,1,2]=4 4537 B17R2.12072 C/C=C/CNc1cc(c2ccccc2c1)Br 34a_100010089974_100102629194 [0,1,0,0,0,0|1,0,2]=4 4538 B17R2.12072 C/C=C/CNc1cc(c2ccccc2c1)Br 7a_100010089974_100102629194 [0,1,0,0,0,0|1,0,2]=4 4539 B17R2.12072 C/C=C/COc1cc(c2ccccc2c1)Br 34a_100010001680_100102629194 [0,1,0,0,0,0|0,0,2]=3 4540 B17R2.12072 C/C=C/COc1cc(c2ccccc2c1)Br 7a_100010001680_100102629194 [0,1,0,0,0,0|0,0,2]=3 4541 B17R2.12072 C/C=C/COc1cc(c2cnccc2c1)Br 34a_100011009069_100102629194 [0,1,0,0,0,0|1,0,2]=4 4542 B17R2.12072 C/C=C/COc1cc(c2cnccc2c1)Br 7a_100011009069_100102629194 [0,1,0,0,0,0|1,0,2]=4 4543 B17R2.12072 C/C=C/COc1cc(c2ncccc2c1)Cl 34a_100000097192_100102629194 [0,1,0,0,0,0|1,0,2]=4 4544 B17R2.12072 C/C=C/COc1cc(c2ncccc2c1)Cl 7a_100000097192_100102629194 [0,1,0,0,0,0|1,0,2]=4 4545 B17R2.12072 C/C=C/COc1cc(c2ncccc2c1)F 34a_100009888031_100102629194 [0,1,0,0,0,0|1,0,2]=4 4546 B17R2.12072 C/C=C/COc1cc(c2ncccc2c1)F 7a_100009888031_100102629194 [0,1,0,0,0,0|1,0,2]=4 4547 B17R2.12072 C/C=C/COc1cc(c2ncccc2c1)N 34a_100000083691_100102629194 [0,1,0,0,0,0|1,0,2]=4 4548 B17R2.12072 C/C=C/CSc1cc(c2ccccc2c1)N 62a_100010171453_100102629194 [0,1,0,0,0,0|0,1,2]=4 4549 B17R2.12072 C/C=C/CSc1cc(c2ccccc2c1)N 62a_100102629194_100010171453 [0,1,0,0,0,0|0,1,2]=4 4550 B17R2.12072 C/C=C/CSc1cc(c2ccccc2c1)O 62a_100102629194_100010089979 [0,1,0,0,0,0|0,1,2]=4 4551 B17R2.12072 C=CCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000754431 [0,1,0,0,0,0|1,0,2]=4 4552 B17R2.12072 C=CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000754431 [0,1,0,0,0,0|1,0,2]=4 4553 B17R2.12072 C=CCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000754431 [0,1,0,0,0,0|0,0,2]=3 4554 B17R2.12072 C=CCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000754431 [0,1,0,0,0,0|0,0,2]=3 4555 B17R2.12072 C=CCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000754431 [0,1,0,0,0,0|1,0,2]=4 4556 B17R2.12072 C=CCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000754431 [0,1,0,0,0,0|1,0,2]=4 4557 B17R2.12072 C=CCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000754431 [0,1,0,0,0,0|1,0,2]=4 4558 B17R2.12072 C=CCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000754431 [0,1,0,0,0,0|1,0,2]=4 4559 B17R2.12072 C=CCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000754431 [0,1,0,0,0,0|1,0,2]=4 4560 B17R2.12072 C=CCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000754431 [0,1,0,0,0,0|1,0,2]=4 4561 B17R2.12072 C=CCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000754431 [0,1,0,0,0,0|1,0,2]=4 4562 B17R2.12072 C=CCCSc1cc(c2ccccc2c1)N 62a_100000754431_100010171453 [0,1,0,0,0,0|0,1,2]=4 4563 B17R2.12072 C=CCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000754431 [0,1,0,0,0,0|0,1,2]=4 4564 B17R2.12072 C=CCCSc1cc(c2ccccc2c1)O 62a_100000754431_100010089979 [0,1,0,0,0,0|0,1,2]=4 4565 B17R2.12072 CC#CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000748600 [0,1,0,0,0,0|1,0,2]=4 4566 B17R2.12072 CC#CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000748600 [0,1,0,0,0,0|1,0,2]=4 4567 B17R2.12072 CC#CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000748600 [0,1,0,0,0,0|0,0,2]=3 4568 B17R2.12072 CC#CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000748600 [0,1,0,0,0,0|0,0,2]=3 4569 B17R2.12072 CC#CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000748600 [0,1,0,0,0,0|1,0,2]=4 4570 B17R2.12072 CC#CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000748600 [0,1,0,0,0,0|1,0,2]=4 4571 B17R2.12072 CC#CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000748600 [0,1,0,0,0,0|1,0,2]=4 4572 B17R2.12072 CC#CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000748600 [0,1,0,0,0,0|1,0,2]=4 4573 B17R2.12072 CC#CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000748600 [0,1,0,0,0,0|1,0,2]=4 4574 B17R2.12072 CC#CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000748600 [0,1,0,0,0,0|1,0,2]=4 4575 B17R2.12072 CC#CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000748600 [0,1,0,0,0,0|1,0,2]=4 4576 B17R2.12072 CC#CCSc1cc(c2ccccc2c1)N 62a_100000748600_100010171453 [0,1,0,0,0,0|0,1,2]=4 4577 B17R2.12072 CC#CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000748600 [0,1,0,0,0,0|0,1,2]=4 4578 B17R2.12072 CC#CCSc1cc(c2ccccc2c1)O 62a_100000748600_100010089979 [0,1,0,0,0,0|0,1,2]=4 4579 B17R2.12072 CC=CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000070051 [0,1,0,0,0,0|1,0,2]=4 4580 B17R2.12072 CC=CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000070051 [0,1,0,0,0,0|1,0,2]=4 4581 B17R2.12072 CC=CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000070051 [0,1,0,0,0,0|0,0,2]=3 4582 B17R2.12072 CC=CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000070051 [0,1,0,0,0,0|0,0,2]=3 4583 B17R2.12072 CC=CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000070051 [0,1,0,0,0,0|1,0,2]=4 4584 B17R2.12072 CC=CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000070051 [0,1,0,0,0,0|1,0,2]=4 4585 B17R2.12072 CC=CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000070051 [0,1,0,0,0,0|1,0,2]=4 4586 B17R2.12072 CC=CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000070051 [0,1,0,0,0,0|1,0,2]=4 4587 B17R2.12072 CC=CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000070051 [0,1,0,0,0,0|1,0,2]=4 4588 B17R2.12072 CC=CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000070051 [0,1,0,0,0,0|1,0,2]=4 4589 B17R2.12072 CC=CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000070051 [0,1,0,0,0,0|1,0,2]=4 4590 B17R2.12072 CC=CCSc1cc(c2ccccc2c1)N 62a_100000070051_100010171453 [0,1,0,0,0,0|0,1,2]=4 4591 B17R2.12072 CC=CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000070051 [0,1,0,0,0,0|0,1,2]=4 4592 B17R2.12072 CC=CCSc1cc(c2ccccc2c1)O 62a_100000070051_100010089979 [0,1,0,0,0,0|0,1,2]=4 4593 B17R2.12072 CCCC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016258520_100000090176 [0,1,0,0,0,0|2,0,1]=4 4594 B17R2.12072 CCCC=Cc1cc(c2ccccc2c1)N 271570a_100016258520_100010171453 [0,1,0,0,0,0|1,0,1]=3 4595 B17R2.12072 CCCC=Cc1cc(c2ccccc2c1)O 271570a_100016258520_100010089979 [0,1,0,0,0,0|1,0,1]=3 4596 B17R2.12072 CCCC=Cc1cc(c2ccccc2n1)C 271570a_100016258520_100012354972 [0,1,0,0,0,0|2,0,1]=4 4597 B17R2.12072 CCCC=Cc1cc(c2ccccc2n1)N 271570a_100016258520_100010197925 [0,1,0,0,0,0|2,0,1]=4 4598 B17R2.12072 CCCC=Cc1cc(c2cccnc2c1)N 271570a_100016258520_200010263263 [0,1,0,0,0,0|2,0,1]=4 4599 B17R2.12072 CCCC=Cc1cc(c2cnccc2c1)F 271570a_100016258520_100011068762 [0,1,0,0,0,0|2,0,1]=4 4600 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)C 271570a_100016258520_100010130319 [0,1,0,0,0,0|2,0,1]=4 4601 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)Cl 271570a_100016258520_200010369337 [0,1,0,0,0,0|2,0,1]=4 4602 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)F 271570a_100016258520_100010234705 [0,1,0,0,0,0|2,0,1]=4 4603 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)N 271570a_100016258520_100009814519 [0,1,0,0,0,0|2,0,1]=4 4604 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)O 271570a_100016258520_100010248853 [0,1,0,0,0,0|2,0,1]=4 4605 B17R2.12072 CCCC=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016258520_200010000521 [0,1,0,0,0,0|2,0,1]=4 4606 B17R2.12072 CCCC=Cc1cc2ccccc2c(n1)N 271570a_100016258520_100009957331 [0,1,0,0,0,0|2,0,1]=4 4607 B17R2.12072 CCCCNc1cc(=O)n2ccccc2n1 27a_100000102301_100000707704 [0,1,0,0,0,0|3,0,0]=4 4608 B17R2.12072 CCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210210 [0,1,0,0,0,0|1,0,0]=2 4609 B17R2.12072 CCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210211 [0,1,0,0,0,0|1,0,0]=2 4610 B17R2.12072 CCCCNc1cc(c2ccccc2n1)C 27a_100000102301_100000184993 [0,1,0,0,0,0|2,0,0]=3 4611 B17R2.12072 CCCCNc1cc(c2cnccc2c1)F 27a_100000102301_100011068762 [0,1,0,0,0,0|2,0,0]=3 4612 B17R2.12072 CCCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210210 [0,1,0,0,0,0|2,0,0]=3 4613 B17R2.12072 CCCCNc1cc(c2nccnc2c1)C 27a_100000102301_100010080486 [0,1,0,0,0,0|3,0,0]=4 4614 B17R2.12072 CCCCNc1cc(c2nccnc2c1)F 27a_100000102301_100010079260 [0,1,0,0,0,0|3,0,0]=4 4615 B17R2.12072 CCCCNc1nc(c2ccccc2n1)C 27a_100000102301_100000046098 [0,1,0,0,0,0|3,0,0]=4 4616 B17R2.12072 CCCCNc1nc(c2ccccc2n1)N 27a_100000102301_100000690328 [0,1,0,0,0,0|3,0,0]=4 4617 B17R2.12072 CCCCNc1nc(c2ccccc2n1)O 27a_100000102301_100000187174 [0,1,0,0,0,0|3,0,0]=4 4618 B17R2.12072 CCCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210210 [0,1,0,0,0,0|2,0,0]=3 4619 B17R2.12072 CCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210210 [0,1,0,0,0,0|0,0,0]=1 4620 B17R2.12072 CCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210211 [0,1,0,0,0,0|0,0,0]=1 4621 B17R2.12072 CCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210210 [0,1,0,0,0,0|1,0,0]=2 4622 B17R2.12072 CCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210211 [0,1,0,0,0,0|1,0,0]=2 4623 B17R2.12072 CCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210210 [0,1,0,0,0,0|1,0,0]=2 4624 B17R2.12072 CCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210211 [0,1,0,0,0,0|1,0,0]=2 4625 B17R2.12072 CCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210210 [0,1,0,0,0,0|1,0,0]=2 4626 B17R2.12072 CCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210211 [0,1,0,0,0,0|1,0,0]=2 4627 B17R2.12072 CCCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210210 [0,1,0,0,0,0|1,0,0]=2 4628 B17R2.12072 CCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210211_100000090176 [0,1,0,0,0,0|1,1,0]=3 4629 B17R2.12072 CCCCSc1cc(=O)n2ccccc2n1 62a_100000210211_100000707704 [0,1,0,0,0,0|2,1,0]=4 4630 B17R2.12072 CCCCSc1cc(c2ccccc2c1)N 62a_100000210211_100010171453 [0,1,0,0,0,0|0,1,0]=2 4631 B17R2.12072 CCCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210210 [0,1,0,0,0,0|0,1,0]=2 4632 B17R2.12072 CCCCSc1cc(c2ccccc2c1)O 62a_100000210211_100010089979 [0,1,0,0,0,0|0,1,0]=2 4633 B17R2.12072 CCCCSc1cc(c2ccccc2n1)C 62a_100000210211_100000184993 [0,1,0,0,0,0|1,1,0]=3 4634 B17R2.12072 CCCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210210 [0,1,0,0,0,0|1,1,0]=3 4635 B17R2.12072 CCCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210210 [0,1,0,0,0,0|1,1,0]=3 4636 B17R2.12072 CCCCSc1cc(c2cccnc2c1)N 62a_100000210211_200010263263 [0,1,0,0,0,0|1,1,0]=3 4637 B17R2.12072 CCCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210210 [0,1,0,0,0,0|1,1,0]=3 4638 B17R2.12072 CCCCSc1cc(c2cnccc2c1)F 62a_100000210211_100011068762 [0,1,0,0,0,0|1,1,0]=3 4639 B17R2.12072 CCCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000210210 [0,1,0,0,0,0|1,1,0]=3 4640 B17R2.12072 CCCCSc1cc(c2ncccc2c1)C 62a_100000210211_100010130319 [0,1,0,0,0,0|1,1,0]=3 4641 B17R2.12072 CCCCSc1cc(c2ncccc2c1)Cl 62a_100000210211_200010369337 [0,1,0,0,0,0|1,1,0]=3 4642 B17R2.12072 CCCCSc1cc(c2ncccc2c1)F 62a_100000210211_100010234705 [0,1,0,0,0,0|1,1,0]=3 4643 B17R2.12072 CCCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210210 [0,1,0,0,0,0|1,1,0]=3 4644 B17R2.12072 CCCCSc1cc(c2ncccc2c1)N 62a_100000210211_100009814519 [0,1,0,0,0,0|1,1,0]=3 4645 B17R2.12072 CCCCSc1cc(c2ncccc2c1)O 62a_100000210211_100010248853 [0,1,0,0,0,0|1,1,0]=3 4646 B17R2.12072 CCCCSc1cc(c2nccnc2c1)C 62a_100000210211_100010080486 [0,1,0,0,0,0|2,1,0]=4 4647 B17R2.12072 CCCCSc1cc(c2nccnc2c1)F 62a_100000210211_100010079260 [0,1,0,0,0,0|2,1,0]=4 4648 B17R2.12072 CCCCSc1cc(c2nccnc2c1)F 62a_100010079260_100000210210 [0,1,0,0,0,0|2,1,0]=4 4649 B17R2.12072 CCCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210211_200015811170 [0,1,0,0,0,0|1,1,0]=3 4650 B17R2.12072 CCCCSc1cc2ccccc2c(n1)N 62a_100000210211_100009957331 [0,1,0,0,0,0|1,1,0]=3 4651 B17R2.12072 CCCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210210 [0,1,0,0,0,0|1,1,0]=3 4652 B17R2.12072 CCCCSc1nc(c2ccccc2n1)C 62a_100000046098_100000210210 [0,1,0,0,0,0|2,1,0]=4 4653 B17R2.12072 CCCCSc1nc(c2ccccc2n1)C 62a_100000210211_100000046098 [0,1,0,0,0,0|2,1,0]=4 4654 B17R2.12072 CCCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210210 [0,1,0,0,0,0|2,1,0]=4 4655 B17R2.12072 CCCCSc1nc(c2ccccc2n1)O 62a_100000210211_100000187174 [0,1,0,0,0,0|2,1,0]=4 4656 B17R2.12072 CCOC=Cc1cc(c2ccccc2c1)N 271570a_100016256518_100010171453 [0,1,0,0,0,0|2,0,1]=4 4657 B17R2.12072 CCOC=Cc1cc(c2ccccc2c1)O 271570a_100016256518_100010089979 [0,1,0,0,0,0|2,0,1]=4 4658 B17R2.12072 CCOCSc1cc(=O)c2ccccc2[nH]1 62a_100000739092_100000090176 [0,1,0,0,0,0|2,1,0]=4 4659 B17R2.12072 CCOCSc1cc(c2ccccc2c1)N 62a_100000739092_100010171453 [0,1,0,0,0,0|1,1,0]=3 4660 B17R2.12072 CCOCSc1cc(c2ccccc2c1)N 62a_100010171453_100000739092 [0,1,0,0,0,0|1,1,0]=3 4661 B17R2.12072 CCOCSc1cc(c2ccccc2c1)O 62a_100000739092_100010089979 [0,1,0,0,0,0|1,1,0]=3 4662 B17R2.12072 CCOCSc1cc(c2ccccc2n1)C 62a_100000739092_100000184993 [0,1,0,0,0,0|2,1,0]=4 4663 B17R2.12072 CCOCSc1cc(c2ccccc2n1)C 62a_100012354972_100000739092 [0,1,0,0,0,0|2,1,0]=4 4664 B17R2.12072 CCOCSc1cc(c2ccccc2n1)N 62a_100010197925_100000739092 [0,1,0,0,0,0|2,1,0]=4 4665 B17R2.12072 CCOCSc1cc(c2cccnc2c1)N 62a_100000739092_200010263263 [0,1,0,0,0,0|2,1,0]=4 4666 B17R2.12072 CCOCSc1cc(c2cccnc2c1)N 62a_200010263263_100000739092 [0,1,0,0,0,0|2,1,0]=4 4667 B17R2.12072 CCOCSc1cc(c2cnccc2c1)F 62a_100000739092_100011068762 [0,1,0,0,0,0|2,1,0]=4 4668 B17R2.12072 CCOCSc1cc(c2cnccc2c1)F 62a_100011068762_100000739092 [0,1,0,0,0,0|2,1,0]=4 4669 B17R2.12072 CCOCSc1cc(c2ncccc2c1)C 62a_100000739092_100010130319 [0,1,0,0,0,0|2,1,0]=4 4670 B17R2.12072 CCOCSc1cc(c2ncccc2c1)Cl 62a_100000739092_200010369337 [0,1,0,0,0,0|2,1,0]=4 4671 B17R2.12072 CCOCSc1cc(c2ncccc2c1)F 62a_100000739092_100010234705 [0,1,0,0,0,0|2,1,0]=4 4672 B17R2.12072 CCOCSc1cc(c2ncccc2c1)F 62a_100010234705_100000739092 [0,1,0,0,0,0|2,1,0]=4 4673 B17R2.12072 CCOCSc1cc(c2ncccc2c1)N 62a_100000739092_100009814519 [0,1,0,0,0,0|2,1,0]=4 4674 B17R2.12072 CCOCSc1cc(c2ncccc2c1)O 62a_100000739092_100010248853 [0,1,0,0,0,0|2,1,0]=4 4675 B17R2.12072 CCOCSc1cc2ccccc2c(=O)[nH]1 62a_100000739092_200015811170 [0,1,0,0,0,0|2,1,0]=4 4676 B17R2.12072 CCOCSc1cc2ccccc2c(n1)N 62a_100000739092_100009957331 [0,1,0,0,0,0|2,1,0]=4 4677 B17R2.12072 CCOCSc1cc2ccccc2c(n1)N 62a_100009957331_100000739092 [0,1,0,0,0,0|2,1,0]=4 4678 B17R2.12072 COCC=Cc1cc(c2ccccc2c1)N 271570a_100016286323_100010171453 [0,1,0,0,0,0|2,0,1]=4 4679 B17R2.12072 COCC=Cc1cc(c2ccccc2c1)O 271570a_100016286323_100010089979 [0,1,0,0,0,0|2,0,1]=4 4680 B17R2.12072 COCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011201679 [0,1,0,0,0,0|2,0,0]=3 4681 B17R2.12072 COCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000233755 [0,1,0,0,0,0|2,0,0]=3 4682 B17R2.12072 COCCNc1cc(c2ccccc2n1)C 27a_100000209980_100000184993 [0,1,0,0,0,0|3,0,0]=4 4683 B17R2.12072 COCCNc1cc(c2cnccc2c1)F 27a_100000209980_100011068762 [0,1,0,0,0,0|3,0,0]=4 4684 B17R2.12072 COCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100011201679 [0,1,0,0,0,0|3,0,0]=4 4685 B17R2.12072 COCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100011201679 [0,1,0,0,0,0|3,0,0]=4 4686 B17R2.12072 COCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011201679 [0,1,0,0,0,0|1,0,0]=2 4687 B17R2.12072 COCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000233755 [0,1,0,0,0,0|1,0,0]=2 4688 B17R2.12072 COCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100011201679 [0,1,0,0,0,0|2,0,0]=3 4689 B17R2.12072 COCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000233755 [0,1,0,0,0,0|2,0,0]=3 4690 B17R2.12072 COCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100011201679 [0,1,0,0,0,0|2,0,0]=3 4691 B17R2.12072 COCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000233755 [0,1,0,0,0,0|2,0,0]=3 4692 B17R2.12072 COCCOc1cc(c2ncccc2c1)F 34a_100009888031_100011201679 [0,1,0,0,0,0|2,0,0]=3 4693 B17R2.12072 COCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000233755 [0,1,0,0,0,0|2,0,0]=3 4694 B17R2.12072 COCCOc1cc(c2ncccc2c1)N 34a_100000083691_100011201679 [0,1,0,0,0,0|2,0,0]=3 4695 B17R2.12072 COCCSc1cc(=O)c2ccccc2[nH]1 62a_100000233755_100000090176 [0,1,0,0,0,0|2,1,0]=4 4696 B17R2.12072 COCCSc1cc(c2ccccc2c1)N 62a_100000233755_100010171453 [0,1,0,0,0,0|1,1,0]=3 4697 B17R2.12072 COCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000233755 [0,1,0,0,0,0|1,1,0]=3 4698 B17R2.12072 COCCSc1cc(c2ccccc2c1)O 62a_100000233755_100010089979 [0,1,0,0,0,0|1,1,0]=3 4699 B17R2.12072 COCCSc1cc(c2ccccc2n1)C 62a_100000233755_100000184993 [0,1,0,0,0,0|2,1,0]=4 4700 B17R2.12072 COCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000233755 [0,1,0,0,0,0|2,1,0]=4 4701 B17R2.12072 COCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000233755 [0,1,0,0,0,0|2,1,0]=4 4702 B17R2.12072 COCCSc1cc(c2cccnc2c1)N 62a_100000233755_200010263263 [0,1,0,0,0,0|2,1,0]=4 4703 B17R2.12072 COCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000233755 [0,1,0,0,0,0|2,1,0]=4 4704 B17R2.12072 COCCSc1cc(c2cnccc2c1)F 62a_100000233755_100011068762 [0,1,0,0,0,0|2,1,0]=4 4705 B17R2.12072 COCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000233755 [0,1,0,0,0,0|2,1,0]=4 4706 B17R2.12072 COCCSc1cc(c2ncccc2c1)C 62a_100000233755_100010130319 [0,1,0,0,0,0|2,1,0]=4 4707 B17R2.12072 COCCSc1cc(c2ncccc2c1)Cl 62a_100000233755_200010369337 [0,1,0,0,0,0|2,1,0]=4 4708 B17R2.12072 COCCSc1cc(c2ncccc2c1)F 62a_100000233755_100010234705 [0,1,0,0,0,0|2,1,0]=4 4709 B17R2.12072 COCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000233755 [0,1,0,0,0,0|2,1,0]=4 4710 B17R2.12072 COCCSc1cc(c2ncccc2c1)N 62a_100000233755_100009814519 [0,1,0,0,0,0|2,1,0]=4 4711 B17R2.12072 COCCSc1cc(c2ncccc2c1)O 62a_100000233755_100010248853 [0,1,0,0,0,0|2,1,0]=4 4712 B17R2.12072 COCCSc1cc2ccccc2c(=O)[nH]1 62a_100000233755_200015811170 [0,1,0,0,0,0|2,1,0]=4 4713 B17R2.12072 COCCSc1cc2ccccc2c(n1)N 62a_100000233755_100009957331 [0,1,0,0,0,0|2,1,0]=4 4714 B17R2.12072 COCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000233755 [0,1,0,0,0,0|2,1,0]=4 4715 B17R2.12072 CSCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000212216 [0,1,0,0,0,0|2,0,0]=3 4716 B17R2.12072 CSCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000212216 [0,1,0,0,0,0|2,0,0]=3 4717 B17R2.12072 CSCCNc1cc(c2ccccc2n1)C 27a_100020590264_100000184993 [0,1,0,0,0,0|3,0,0]=4 4718 B17R2.12072 CSCCNc1cc(c2cnccc2c1)F 27a_100020590264_100011068762 [0,1,0,0,0,0|3,0,0]=4 4719 B17R2.12072 CSCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000212216 [0,1,0,0,0,0|3,0,0]=4 4720 B17R2.12072 CSCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000212216 [0,1,0,0,0,0|3,0,0]=4 4721 B17R2.12072 CSCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000212216 [0,1,0,0,0,0|1,0,0]=2 4722 B17R2.12072 CSCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000212216 [0,1,0,0,0,0|1,0,0]=2 4723 B17R2.12072 CSCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000212216 [0,1,0,0,0,0|2,0,0]=3 4724 B17R2.12072 CSCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000212216 [0,1,0,0,0,0|2,0,0]=3 4725 B17R2.12072 CSCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000212216 [0,1,0,0,0,0|2,0,0]=3 4726 B17R2.12072 CSCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000212216 [0,1,0,0,0,0|2,0,0]=3 4727 B17R2.12072 CSCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000212216 [0,1,0,0,0,0|2,0,0]=3 4728 B17R2.12072 CSCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000212216 [0,1,0,0,0,0|2,0,0]=3 4729 B17R2.12072 CSCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000212216 [0,1,0,0,0,0|2,0,0]=3 4730 B17R2.12072 CSCCSc1cc(=O)c2ccccc2[nH]1 62a_100000212216_100000090176 [0,1,0,0,0,0|2,1,0]=4 4731 B17R2.12072 CSCCSc1cc(c2ccccc2c1)N 62a_100000212216_100010171453 [0,1,0,0,0,0|1,1,0]=3 4732 B17R2.12072 CSCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000751147 [0,1,0,0,0,0|1,1,0]=3 4733 B17R2.12072 CSCCSc1cc(c2ccccc2c1)O 62a_100000212216_100010089979 [0,1,0,0,0,0|1,1,0]=3 4734 B17R2.12072 CSCCSc1cc(c2ccccc2n1)C 62a_100000212216_100000184993 [0,1,0,0,0,0|2,1,0]=4 4735 B17R2.12072 CSCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000751147 [0,1,0,0,0,0|2,1,0]=4 4736 B17R2.12072 CSCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000751147 [0,1,0,0,0,0|2,1,0]=4 4737 B17R2.12072 CSCCSc1cc(c2cccnc2c1)N 62a_100000212216_200010263263 [0,1,0,0,0,0|2,1,0]=4 4738 B17R2.12072 CSCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000751147 [0,1,0,0,0,0|2,1,0]=4 4739 B17R2.12072 CSCCSc1cc(c2cnccc2c1)F 62a_100000212216_100011068762 [0,1,0,0,0,0|2,1,0]=4 4740 B17R2.12072 CSCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000751147 [0,1,0,0,0,0|2,1,0]=4 4741 B17R2.12072 CSCCSc1cc(c2ncccc2c1)C 62a_100000212216_100010130319 [0,1,0,0,0,0|2,1,0]=4 4742 B17R2.12072 CSCCSc1cc(c2ncccc2c1)Cl 62a_100000212216_200010369337 [0,1,0,0,0,0|2,1,0]=4 4743 B17R2.12072 CSCCSc1cc(c2ncccc2c1)F 62a_100000212216_100010234705 [0,1,0,0,0,0|2,1,0]=4 4744 B17R2.12072 CSCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000751147 [0,1,0,0,0,0|2,1,0]=4 4745 B17R2.12072 CSCCSc1cc(c2ncccc2c1)N 62a_100000212216_100009814519 [0,1,0,0,0,0|2,1,0]=4 4746 B17R2.12072 CSCCSc1cc(c2ncccc2c1)O 62a_100000212216_100010248853 [0,1,0,0,0,0|2,1,0]=4 4747 B17R2.12072 CSCCSc1cc2ccccc2c(=O)[nH]1 62a_100000212216_200015811170 [0,1,0,0,0,0|2,1,0]=4 4748 B17R2.12072 CSCCSc1cc2ccccc2c(n1)N 62a_100000212216_100009957331 [0,1,0,0,0,0|2,1,0]=4 4749 B17R2.12072 CSCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000751147 [0,1,0,0,0,0|2,1,0]=4 4750 B17R2.12072 Cc1cc(cc2c1nccc2)SCCCF 62a_100011934791_100010130319 [0,1,0,0,0,0|2,1,0]=4 4751 B17R2.12072 Cc1cc(cc2c1nccc2)SCCCO 62a_100011215043_100010130319 [0,1,0,0,0,0|2,1,0]=4 4752 B17R2.12072 Cc1cc(nc2c1cccc2)NCCCF 27a_100015189416_100000184993 [0,1,0,0,0,0|3,0,0]=4 4753 B17R2.12072 Cc1cc(nc2c1cccc2)NCCCO 27a_100000182051_100000184993 [0,1,0,0,0,0|3,0,0]=4 4754 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCF 62a_100011934791_100000184993 [0,1,0,0,0,0|2,1,0]=4 4755 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCF 62a_100012354972_100011934791 [0,1,0,0,0,0|2,1,0]=4 4756 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCO 62a_100011215043_100000184993 [0,1,0,0,0,0|2,1,0]=4 4757 B17R2.12072 Cc1cc(nc2c1cccc2)SCCCO 62a_100012354972_100011215043 [0,1,0,0,0,0|2,1,0]=4 4758 B17R2.12072 FCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011934791 [0,1,0,0,0,0|2,0,0]=3 4759 B17R2.12072 FCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011934791 [0,1,0,0,0,0|2,0,0]=3 4760 B17R2.12072 FCCCNc1cc(c2cnccc2c1)F 27a_100015189416_100011068762 [0,1,0,0,0,0|3,0,0]=4 4761 B17R2.12072 FCCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100011934791 [0,1,0,0,0,0|3,0,0]=4 4762 B17R2.12072 FCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011934791 [0,1,0,0,0,0|1,0,0]=2 4763 B17R2.12072 FCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011934791 [0,1,0,0,0,0|1,0,0]=2 4764 B17R2.12072 FCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100011934791 [0,1,0,0,0,0|2,0,0]=3 4765 B17R2.12072 FCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100011934791 [0,1,0,0,0,0|2,0,0]=3 4766 B17R2.12072 FCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100011934791 [0,1,0,0,0,0|2,0,0]=3 4767 B17R2.12072 FCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100011934791 [0,1,0,0,0,0|2,0,0]=3 4768 B17R2.12072 FCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100011934791 [0,1,0,0,0,0|2,0,0]=3 4769 B17R2.12072 FCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100011934791 [0,1,0,0,0,0|2,0,0]=3 4770 B17R2.12072 FCCCSc1cc(c2cnccc2c1)F 62a_100011068762_100011934791 [0,1,0,0,0,0|2,1,0]=4 4771 B17R2.12072 FCCCSc1cc(c2cnccc2c1)F 62a_100011934791_100011068762 [0,1,0,0,0,0|2,1,0]=4 4772 B17R2.12072 FCCCSc1cc(c2ncccc2c1)Cl 62a_100011934791_200010369337 [0,1,0,0,0,0|2,1,0]=4 4773 B17R2.12072 FCCCSc1cc(c2ncccc2c1)F 62a_100010234705_100011934791 [0,1,0,0,0,0|2,1,0]=4 4774 B17R2.12072 FCCCSc1cc(c2ncccc2c1)F 62a_100011934791_100010234705 [0,1,0,0,0,0|2,1,0]=4 4775 B17R2.12072 N#CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000184422 [0,1,0,0,0,0|2,0,1]=4 4776 B17R2.12072 N#CCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000184422 [0,1,0,0,0,0|1,0,1]=3 4777 B17R2.12072 N#CCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000184422 [0,1,0,0,0,0|2,0,1]=4 4778 B17R2.12072 N#CCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000184422 [0,1,0,0,0,0|2,0,1]=4 4779 B17R2.12072 N#CCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000184422 [0,1,0,0,0,0|2,0,1]=4 4780 B17R2.12072 N#CCCSc1cc(c2ccccc2c1)N 62a_100010171453_100011215226 [0,1,0,0,0,0|1,1,1]=4 4781 B17R2.12072 N#CCCSc1cc(c2ccccc2c1)N 62a_100011215226_100010171453 [0,1,0,0,0,0|1,1,1]=4 4782 B17R2.12072 N#CCCSc1cc(c2ccccc2c1)O 62a_100011215226_100010089979 [0,1,0,0,0,0|1,1,1]=4 4783 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCF 62a_100010171453_100011934791 [0,1,0,0,0,0|1,1,0]=3 4784 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCF 62a_100011934791_100010171453 [0,1,0,0,0,0|1,1,0]=3 4785 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCO 62a_100010171453_100011215043 [0,1,0,0,0,0|1,1,0]=3 4786 B17R2.12072 Nc1cc(cc2c1cccc2)SCCCO 62a_100011215043_100010171453 [0,1,0,0,0,0|1,1,0]=3 4787 B17R2.12072 Nc1cc(cc2c1cccn2)SCCCF 62a_100011934791_200010263263 [0,1,0,0,0,0|2,1,0]=4 4788 B17R2.12072 Nc1cc(cc2c1cccn2)SCCCF 62a_200010263263_100011934791 [0,1,0,0,0,0|2,1,0]=4 4789 B17R2.12072 Nc1cc(cc2c1cccn2)SCCCO 62a_100011215043_200010263263 [0,1,0,0,0,0|2,1,0]=4 4790 B17R2.12072 Nc1cc(cc2c1cccn2)SCCCO 62a_200010263263_100011215043 [0,1,0,0,0,0|2,1,0]=4 4791 B17R2.12072 Nc1cc(cc2c1nccc2)OCCCF 34a_100000083691_100011934791 [0,1,0,0,0,0|2,0,0]=3 4792 B17R2.12072 Nc1cc(cc2c1nccc2)OCCCO 34a_100000083691_100000230001 [0,1,0,0,0,0|2,0,0]=3 4793 B17R2.12072 Nc1cc(cc2c1nccc2)SCCCF 62a_100011934791_100009814519 [0,1,0,0,0,0|2,1,0]=4 4794 B17R2.12072 Nc1cc(cc2c1nccc2)SCCCO 62a_100011215043_100009814519 [0,1,0,0,0,0|2,1,0]=4 4795 B17R2.12072 Nc1cc(nc2c1cccc2)SCCCF 62a_100010197925_100011934791 [0,1,0,0,0,0|2,1,0]=4 4796 B17R2.12072 Nc1cc(nc2c1cccc2)SCCCO 62a_100010197925_100011215043 [0,1,0,0,0,0|2,1,0]=4 4797 B17R2.12072 Nc1nc(cc2c1cccc2)SCCCF 62a_100009957331_100011934791 [0,1,0,0,0,0|2,1,0]=4 4798 B17R2.12072 Nc1nc(cc2c1cccc2)SCCCF 62a_100011934791_100009957331 [0,1,0,0,0,0|2,1,0]=4 4799 B17R2.12072 Nc1nc(cc2c1cccc2)SCCCO 62a_100009957331_100011215043 [0,1,0,0,0,0|2,1,0]=4 4800 B17R2.12072 Nc1nc(cc2c1cccc2)SCCCO 62a_100011215043_100009957331 [0,1,0,0,0,0|2,1,0]=4 4801 B17R2.12072 O=c1[nH]c(cc2c1cccc2)SCCCF 62a_100011934791_200015811170 [0,1,0,0,0,0|2,1,0]=4 4802 B17R2.12072 O=c1[nH]c(cc2c1cccc2)SCCCO 62a_100011215043_200015811170 [0,1,0,0,0,0|2,1,0]=4 4803 B17R2.12072 O=c1cc([nH]c2c1cccc2)SCCCF 62a_100011934791_100000090176 [0,1,0,0,0,0|2,1,0]=4 4804 B17R2.12072 O=c1cc([nH]c2c1cccc2)SCCCO 62a_100011215043_100000090176 [0,1,0,0,0,0|2,1,0]=4 4805 B17R2.12072 O=c1cc(nc2n1cccc2)OCCCF 34a_100000751361_100011934791 [0,1,0,0,0,0|3,0,0]=4 4806 B17R2.12072 O=c1cc(nc2n1cccc2)OCCCO 34a_100000751361_100000230001 [0,1,0,0,0,0|3,0,0]=4 4807 B17R2.12072 OCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000230001 [0,1,0,0,0,0|2,0,0]=3 4808 B17R2.12072 OCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011215043 [0,1,0,0,0,0|2,0,0]=3 4809 B17R2.12072 OCCCNc1cc(c2cnccc2c1)F 27a_100000182051_100011068762 [0,1,0,0,0,0|3,0,0]=4 4810 B17R2.12072 OCCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000230001 [0,1,0,0,0,0|3,0,0]=4 4811 B17R2.12072 OCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000230001 [0,1,0,0,0,0|1,0,0]=2 4812 B17R2.12072 OCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011215043 [0,1,0,0,0,0|1,0,0]=2 4813 B17R2.12072 OCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000230001 [0,1,0,0,0,0|2,0,0]=3 4814 B17R2.12072 OCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100011215043 [0,1,0,0,0,0|2,0,0]=3 4815 B17R2.12072 OCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000230001 [0,1,0,0,0,0|2,0,0]=3 4816 B17R2.12072 OCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100011215043 [0,1,0,0,0,0|2,0,0]=3 4817 B17R2.12072 OCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000230001 [0,1,0,0,0,0|2,0,0]=3 4818 B17R2.12072 OCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100011215043 [0,1,0,0,0,0|2,0,0]=3 4819 B17R2.12072 OCCCSc1cc(c2ccccc2c1)O 62a_100011215043_100010089979 [0,1,0,0,0,0|1,1,0]=3 4820 B17R2.12072 OCCCSc1cc(c2cnccc2c1)F 62a_100011068762_100011215043 [0,1,0,0,0,0|2,1,0]=4 4821 B17R2.12072 OCCCSc1cc(c2cnccc2c1)F 62a_100011215043_100011068762 [0,1,0,0,0,0|2,1,0]=4 4822 B17R2.12072 OCCCSc1cc(c2ncccc2c1)Cl 62a_100011215043_200010369337 [0,1,0,0,0,0|2,1,0]=4 4823 B17R2.12072 OCCCSc1cc(c2ncccc2c1)F 62a_100010234705_100011215043 [0,1,0,0,0,0|2,1,0]=4 4824 B17R2.12072 OCCCSc1cc(c2ncccc2c1)F 62a_100011215043_100010234705 [0,1,0,0,0,0|2,1,0]=4 4825 B17R2.12072 OCCCSc1cc(c2ncccc2c1)O 62a_100011215043_100010248853 [0,1,0,0,0,0|2,1,0]=4 4826 B17R2.12072 Oc1cc(cc2c1cccc2)SCCCF 62a_100011934791_100010089979 [0,1,0,0,0,0|1,1,0]=3 4827 B17R2.12072 Oc1cc(cc2c1nccc2)SCCCF 62a_100011934791_100010248853 [0,1,0,0,0,0|2,1,0]=4 4828 B17R2.12116 C#CCCNc1cc2ccccc2cc1Br 34a_100009991566_100000688953 [0,1,0,0,0,0|1,0,2]=4 4829 B17R2.12116 C#CCCNc1cc2ccccc2cc1Br 7a_100009991566_100000688953 [0,1,0,0,0,0|1,0,2]=4 4830 B17R2.12116 C#CCCOc1cc2ccccc2cc1Br 34a_100009817189_100000688953 [0,1,0,0,0,0|0,0,2]=3 4831 B17R2.12116 C#CCCOc1cc2ccccc2cc1Br 7a_100009817189_100000688953 [0,1,0,0,0,0|0,0,2]=3 4832 B17R2.12116 C#CCCOc1cc2ccccc2cc1C 34a_100000091601_100000688953 [0,1,0,0,0,0|0,0,2]=3 4833 B17R2.12116 C#CCCOc1cc2ccccc2cc1C 7a_100000091601_100000688953 [0,1,0,0,0,0|0,0,2]=3 4834 B17R2.12116 C#CCCOc1cc2ccccc2cc1N 34a_106744474703_100000688953 [0,1,0,0,0,0|0,0,2]=3 4835 B17R2.12116 C#CCCOc1cc2ccccc2cc1N 7a_106744474703_100000688953 [0,1,0,0,0,0|0,0,2]=3 4836 B17R2.12116 C#CCCOc1cc2ccccc2nc1C 34a_200000079175_100000688953 [0,1,0,0,0,0|1,0,2]=4 4837 B17R2.12116 C#CCCOc1cc2ccccc2nc1C 7a_200000079175_100000688953 [0,1,0,0,0,0|1,0,2]=4 4838 B17R2.12116 C#CCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000688953 [0,1,0,0,0,0|1,0,2]=4 4839 B17R2.12116 C#CCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000688953 [0,1,0,0,0,0|1,0,2]=4 4840 B17R2.12116 C#CCCOc1cc2ccccc2oc1=O 7a_100000061252_100000688953 [0,1,0,0,0,0|1,0,2]=4 4841 B17R2.12116 C#CCCOc1cc2cccnc2cc1Br 34a_200010153759_100000688953 [0,1,0,0,0,0|1,0,2]=4 4842 B17R2.12116 C#CCCOc1cc2cccnc2cc1Br 7a_200010153759_100000688953 [0,1,0,0,0,0|1,0,2]=4 4843 B17R2.12116 C#CCCSc1cc2ccccc2cc1Br 62a_100000688953_200010169544 [0,1,0,0,0,0|0,1,2]=4 4844 B17R2.12116 C#CCCSc1cc2ccccc2cc1Br 62a_200010169544_100000688953 [0,1,0,0,0,0|0,1,2]=4 4845 B17R2.12116 C#CCCSc1cc2ccccc2cc1Cl 62a_100000688953_100010152806 [0,1,0,0,0,0|0,1,2]=4 4846 B17R2.12116 C#CCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000688953 [0,1,0,0,0,0|0,1,2]=4 4847 B17R2.12116 C#CCCSc1cc2ccccc2cc1N 62a_100000688953_100009991566 [0,1,0,0,0,0|0,1,2]=4 4848 B17R2.12116 C#CCCSc1cc2ccccc2cc1N 62a_100009991566_100000688953 [0,1,0,0,0,0|0,1,2]=4 4849 B17R2.12116 C#CCCSc1cc2ccccc2cc1O 62a_100000688953_100009817189 [0,1,0,0,0,0|0,1,2]=4 4850 B17R2.12116 C/C=C/CNc1cc2ccccc2cc1Br 34a_100009991566_100102629194 [0,1,0,0,0,0|1,0,2]=4 4851 B17R2.12116 C/C=C/CNc1cc2ccccc2cc1Br 7a_100009991566_100102629194 [0,1,0,0,0,0|1,0,2]=4 4852 B17R2.12116 C/C=C/COc1cc2ccccc2cc1Br 34a_100009817189_100102629194 [0,1,0,0,0,0|0,0,2]=3 4853 B17R2.12116 C/C=C/COc1cc2ccccc2cc1Br 7a_100009817189_100102629194 [0,1,0,0,0,0|0,0,2]=3 4854 B17R2.12116 C/C=C/COc1cc2ccccc2cc1C 34a_100000091601_100102629194 [0,1,0,0,0,0|0,0,2]=3 4855 B17R2.12116 C/C=C/COc1cc2ccccc2cc1C 7a_100000091601_100102629194 [0,1,0,0,0,0|0,0,2]=3 4856 B17R2.12116 C/C=C/COc1cc2ccccc2cc1N 34a_106744474703_100102629194 [0,1,0,0,0,0|0,0,2]=3 4857 B17R2.12116 C/C=C/COc1cc2ccccc2cc1N 7a_106744474703_100102629194 [0,1,0,0,0,0|0,0,2]=3 4858 B17R2.12116 C/C=C/COc1cc2ccccc2nc1C 34a_200000079175_100102629194 [0,1,0,0,0,0|1,0,2]=4 4859 B17R2.12116 C/C=C/COc1cc2ccccc2nc1C 7a_200000079175_100102629194 [0,1,0,0,0,0|1,0,2]=4 4860 B17R2.12116 C/C=C/COc1cc2ccccc2nc1Cl 34a_200000100762_100102629194 [0,1,0,0,0,0|1,0,2]=4 4861 B17R2.12116 C/C=C/COc1cc2ccccc2nc1Cl 7a_200000100762_100102629194 [0,1,0,0,0,0|1,0,2]=4 4862 B17R2.12116 C/C=C/COc1cc2ccccc2oc1=O 7a_100000061252_100102629194 [0,1,0,0,0,0|1,0,2]=4 4863 B17R2.12116 C/C=C/COc1cc2cccnc2cc1Br 34a_200010153759_100102629194 [0,1,0,0,0,0|1,0,2]=4 4864 B17R2.12116 C/C=C/COc1cc2cccnc2cc1Br 7a_200010153759_100102629194 [0,1,0,0,0,0|1,0,2]=4 4865 B17R2.12116 C/C=C/CSc1cc2ccccc2cc1N 62a_100009991566_100102629194 [0,1,0,0,0,0|0,1,2]=4 4866 B17R2.12116 C/C=C/CSc1cc2ccccc2cc1N 62a_100102629194_100009991566 [0,1,0,0,0,0|0,1,2]=4 4867 B17R2.12116 C/C=C/CSc1cc2ccccc2cc1O 62a_100102629194_100009817189 [0,1,0,0,0,0|0,1,2]=4 4868 B17R2.12116 C=CCCNc1cc2ccccc2cc1Br 34a_100009991566_100000754431 [0,1,0,0,0,0|1,0,2]=4 4869 B17R2.12116 C=CCCNc1cc2ccccc2cc1Br 7a_100009991566_100000754431 [0,1,0,0,0,0|1,0,2]=4 4870 B17R2.12116 C=CCCOc1cc2ccccc2cc1Br 34a_100009817189_100000754431 [0,1,0,0,0,0|0,0,2]=3 4871 B17R2.12116 C=CCCOc1cc2ccccc2cc1Br 7a_100009817189_100000754431 [0,1,0,0,0,0|0,0,2]=3 4872 B17R2.12116 C=CCCOc1cc2ccccc2cc1C 34a_100000091601_100000754431 [0,1,0,0,0,0|0,0,2]=3 4873 B17R2.12116 C=CCCOc1cc2ccccc2cc1C 7a_100000091601_100000754431 [0,1,0,0,0,0|0,0,2]=3 4874 B17R2.12116 C=CCCOc1cc2ccccc2cc1N 34a_106744474703_100000754431 [0,1,0,0,0,0|0,0,2]=3 4875 B17R2.12116 C=CCCOc1cc2ccccc2cc1N 7a_106744474703_100000754431 [0,1,0,0,0,0|0,0,2]=3 4876 B17R2.12116 C=CCCOc1cc2ccccc2nc1C 34a_200000079175_100000754431 [0,1,0,0,0,0|1,0,2]=4 4877 B17R2.12116 C=CCCOc1cc2ccccc2nc1C 7a_200000079175_100000754431 [0,1,0,0,0,0|1,0,2]=4 4878 B17R2.12116 C=CCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000754431 [0,1,0,0,0,0|1,0,2]=4 4879 B17R2.12116 C=CCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000754431 [0,1,0,0,0,0|1,0,2]=4 4880 B17R2.12116 C=CCCOc1cc2ccccc2oc1=O 7a_100000061252_100000754431 [0,1,0,0,0,0|1,0,2]=4 4881 B17R2.12116 C=CCCOc1cc2cccnc2cc1Br 34a_200010153759_100000754431 [0,1,0,0,0,0|1,0,2]=4 4882 B17R2.12116 C=CCCOc1cc2cccnc2cc1Br 7a_200010153759_100000754431 [0,1,0,0,0,0|1,0,2]=4 4883 B17R2.12116 C=CCCSc1cc2ccccc2cc1N 62a_100000754431_100009991566 [0,1,0,0,0,0|0,1,2]=4 4884 B17R2.12116 C=CCCSc1cc2ccccc2cc1N 62a_100009991566_100000754431 [0,1,0,0,0,0|0,1,2]=4 4885 B17R2.12116 C=CCCSc1cc2ccccc2cc1O 62a_100000754431_100009817189 [0,1,0,0,0,0|0,1,2]=4 4886 B17R2.12116 CC#CCNc1cc2ccccc2cc1Br 34a_100009991566_100000748600 [0,1,0,0,0,0|1,0,2]=4 4887 B17R2.12116 CC#CCNc1cc2ccccc2cc1Br 7a_100009991566_100000748600 [0,1,0,0,0,0|1,0,2]=4 4888 B17R2.12116 CC#CCOc1cc2ccccc2cc1Br 34a_100009817189_100000748600 [0,1,0,0,0,0|0,0,2]=3 4889 B17R2.12116 CC#CCOc1cc2ccccc2cc1Br 7a_100009817189_100000748600 [0,1,0,0,0,0|0,0,2]=3 4890 B17R2.12116 CC#CCOc1cc2ccccc2cc1C 34a_100000091601_100000748600 [0,1,0,0,0,0|0,0,2]=3 4891 B17R2.12116 CC#CCOc1cc2ccccc2cc1C 7a_100000091601_100000748600 [0,1,0,0,0,0|0,0,2]=3 4892 B17R2.12116 CC#CCOc1cc2ccccc2cc1N 34a_106744474703_100000748600 [0,1,0,0,0,0|0,0,2]=3 4893 B17R2.12116 CC#CCOc1cc2ccccc2cc1N 7a_106744474703_100000748600 [0,1,0,0,0,0|0,0,2]=3 4894 B17R2.12116 CC#CCOc1cc2ccccc2nc1C 34a_200000079175_100000748600 [0,1,0,0,0,0|1,0,2]=4 4895 B17R2.12116 CC#CCOc1cc2ccccc2nc1C 7a_200000079175_100000748600 [0,1,0,0,0,0|1,0,2]=4 4896 B17R2.12116 CC#CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000748600 [0,1,0,0,0,0|1,0,2]=4 4897 B17R2.12116 CC#CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000748600 [0,1,0,0,0,0|1,0,2]=4 4898 B17R2.12116 CC#CCOc1cc2ccccc2oc1=O 7a_100000061252_100000748600 [0,1,0,0,0,0|1,0,2]=4 4899 B17R2.12116 CC#CCOc1cc2cccnc2cc1Br 34a_200010153759_100000748600 [0,1,0,0,0,0|1,0,2]=4 4900 B17R2.12116 CC#CCOc1cc2cccnc2cc1Br 7a_200010153759_100000748600 [0,1,0,0,0,0|1,0,2]=4 4901 B17R2.12116 CC#CCSc1cc2ccccc2cc1Br 62a_100000748600_200010169544 [0,1,0,0,0,0|0,1,2]=4 4902 B17R2.12116 CC#CCSc1cc2ccccc2cc1Br 62a_200010169544_100000748600 [0,1,0,0,0,0|0,1,2]=4 4903 B17R2.12116 CC#CCSc1cc2ccccc2cc1Cl 62a_100000748600_100010152806 [0,1,0,0,0,0|0,1,2]=4 4904 B17R2.12116 CC#CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000748600 [0,1,0,0,0,0|0,1,2]=4 4905 B17R2.12116 CC#CCSc1cc2ccccc2cc1N 62a_100000748600_100009991566 [0,1,0,0,0,0|0,1,2]=4 4906 B17R2.12116 CC#CCSc1cc2ccccc2cc1N 62a_100009991566_100000748600 [0,1,0,0,0,0|0,1,2]=4 4907 B17R2.12116 CC#CCSc1cc2ccccc2cc1O 62a_100000748600_100009817189 [0,1,0,0,0,0|0,1,2]=4 4908 B17R2.12116 CC=CCNc1cc2ccccc2cc1Br 34a_100009991566_100000070051 [0,1,0,0,0,0|1,0,2]=4 4909 B17R2.12116 CC=CCNc1cc2ccccc2cc1Br 7a_100009991566_100000070051 [0,1,0,0,0,0|1,0,2]=4 4910 B17R2.12116 CC=CCOc1cc2ccccc2cc1Br 34a_100009817189_100000070051 [0,1,0,0,0,0|0,0,2]=3 4911 B17R2.12116 CC=CCOc1cc2ccccc2cc1Br 7a_100009817189_100000070051 [0,1,0,0,0,0|0,0,2]=3 4912 B17R2.12116 CC=CCOc1cc2ccccc2cc1C 34a_100000091601_100000070051 [0,1,0,0,0,0|0,0,2]=3 4913 B17R2.12116 CC=CCOc1cc2ccccc2cc1C 7a_100000091601_100000070051 [0,1,0,0,0,0|0,0,2]=3 4914 B17R2.12116 CC=CCOc1cc2ccccc2cc1N 34a_106744474703_100000070051 [0,1,0,0,0,0|0,0,2]=3 4915 B17R2.12116 CC=CCOc1cc2ccccc2cc1N 7a_106744474703_100000070051 [0,1,0,0,0,0|0,0,2]=3 4916 B17R2.12116 CC=CCOc1cc2ccccc2nc1C 34a_200000079175_100000070051 [0,1,0,0,0,0|1,0,2]=4 4917 B17R2.12116 CC=CCOc1cc2ccccc2nc1C 7a_200000079175_100000070051 [0,1,0,0,0,0|1,0,2]=4 4918 B17R2.12116 CC=CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000070051 [0,1,0,0,0,0|1,0,2]=4 4919 B17R2.12116 CC=CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000070051 [0,1,0,0,0,0|1,0,2]=4 4920 B17R2.12116 CC=CCOc1cc2ccccc2oc1=O 7a_100000061252_100000070051 [0,1,0,0,0,0|1,0,2]=4 4921 B17R2.12116 CC=CCOc1cc2cccnc2cc1Br 34a_200010153759_100000070051 [0,1,0,0,0,0|1,0,2]=4 4922 B17R2.12116 CC=CCOc1cc2cccnc2cc1Br 7a_200010153759_100000070051 [0,1,0,0,0,0|1,0,2]=4 4923 B17R2.12116 CC=CCSc1cc2ccccc2cc1N 62a_100000070051_100009991566 [0,1,0,0,0,0|0,1,2]=4 4924 B17R2.12116 CC=CCSc1cc2ccccc2cc1N 62a_100009991566_100000070051 [0,1,0,0,0,0|0,1,2]=4 4925 B17R2.12116 CC=CCSc1cc2ccccc2cc1O 62a_100000070051_100009817189 [0,1,0,0,0,0|0,1,2]=4 4926 B17R2.12116 CCCC=Cc1cc2ccccc2cc1N 271570a_100016258520_100009991566 [0,1,0,0,0,0|1,0,1]=3 4927 B17R2.12116 CCCC=Cc1cc2ccccc2cc1O 271570a_100016258520_100009817189 [0,1,0,0,0,0|1,0,1]=3 4928 B17R2.12116 CCCC=Cc1cc2ccccc2nc1Cl 271570a_100016258520_100010220712 [0,1,0,0,0,0|2,0,1]=4 4929 B17R2.12116 CCCC=Cc1cc2ccccc2nc1F 271570a_100016258520_100011158909 [0,1,0,0,0,0|2,0,1]=4 4930 B17R2.12116 CCCC=Cc1cc2ccccc2nc1N 271570a_100016258520_100010135404 [0,1,0,0,0,0|2,0,1]=4 4931 B17R2.12116 CCCC=Cc1cc2ccccc2nc1O 271570a_100016258520_200009820883 [0,1,0,0,0,0|2,0,1]=4 4932 B17R2.12116 CCCC=Cc1cc2ccccc2oc1=O 271570a_100016258520_200000187772 [0,1,0,0,0,0|2,0,1]=4 4933 B17R2.12116 CCCC=Cc1cc2cccnc2cc1C 271570a_100016258520_100010137429 [0,1,0,0,0,0|2,0,1]=4 4934 B17R2.12116 CCCC=Cc1cc2cccnc2cc1F 271570a_100016258520_100009854028 [0,1,0,0,0,0|2,0,1]=4 4935 B17R2.12116 CCCC=Cc1cc2ccncc2cc1F 271570a_100016258520_100011105921 [0,1,0,0,0,0|2,0,1]=4 4936 B17R2.12116 CCCC=Cc1cc2cnccc2cc1F 271570a_100016258520_100010244713 [0,1,0,0,0,0|2,0,1]=4 4937 B17R2.12116 CCCC=Cc1cc2ncccc2cc1O 271570a_100016258520_200010153759 [0,1,0,0,0,0|2,0,1]=4 4938 B17R2.12116 CCCC=Cc1nc2ccccc2cc1Br 271570a_100016258520_100010072790 [0,1,0,0,0,0|2,0,1]=4 4939 B17R2.12116 CCCC=Cc1nc2ccccc2cc1C 271570a_100016258520_100000751756 [0,1,0,0,0,0|2,0,1]=4 4940 B17R2.12116 CCCC=Cc1nc2ccccc2cc1O 271570a_100016258520_200000100762 [0,1,0,0,0,0|2,0,1]=4 4941 B17R2.12116 CCCCNc1cc2ccccc2cc1Br 34a_100009991566_100000210210 [0,1,0,0,0,0|1,0,0]=2 4942 B17R2.12116 CCCCNc1cc2ccccc2cc1Br 7a_100009991566_100000210211 [0,1,0,0,0,0|1,0,0]=2 4943 B17R2.12116 CCCCNc1cc2nccnc2cc1C 27a_100000102301_100010080479 [0,1,0,0,0,0|3,0,0]=4 4944 B17R2.12116 CCCCNc1cc2nccnc2cc1F 27a_100000102301_100010080477 [0,1,0,0,0,0|3,0,0]=4 4945 B17R2.12116 CCCCNc1nc2ccccc2cc1C 27a_100000102301_100000751756 [0,1,0,0,0,0|2,0,0]=3 4946 B17R2.12116 CCCCNc1nc2ccccc2nc1C 27a_100000102301_100000185947 [0,1,0,0,0,0|3,0,0]=4 4947 B17R2.12116 CCCCNc1nc2ccccc2nc1N 27a_100000102301_100000009970 [0,1,0,0,0,0|3,0,0]=4 4948 B17R2.12116 CCCCNc1nc2ncccc2cc1C 27a_100000102301_100009877248 [0,1,0,0,0,0|3,0,0]=4 4949 B17R2.12116 CCCCOc1cc2ccccc2cc1Br 34a_100009817189_100000210210 [0,1,0,0,0,0|0,0,0]=1 4950 B17R2.12116 CCCCOc1cc2ccccc2cc1Br 7a_100009817189_100000210211 [0,1,0,0,0,0|0,0,0]=1 4951 B17R2.12116 CCCCOc1cc2ccccc2cc1C 34a_100000091601_100000210210 [0,1,0,0,0,0|0,0,0]=1 4952 B17R2.12116 CCCCOc1cc2ccccc2cc1C 7a_100000091601_100000210211 [0,1,0,0,0,0|0,0,0]=1 4953 B17R2.12116 CCCCOc1cc2ccccc2cc1N 34a_106744474703_100000210210 [0,1,0,0,0,0|0,0,0]=1 4954 B17R2.12116 CCCCOc1cc2ccccc2cc1N 7a_106744474703_100000210211 [0,1,0,0,0,0|0,0,0]=1 4955 B17R2.12116 CCCCOc1cc2ccccc2nc1C 34a_200000079175_100000210210 [0,1,0,0,0,0|1,0,0]=2 4956 B17R2.12116 CCCCOc1cc2ccccc2nc1C 7a_200000079175_100000210211 [0,1,0,0,0,0|1,0,0]=2 4957 B17R2.12116 CCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210210 [0,1,0,0,0,0|1,0,0]=2 4958 B17R2.12116 CCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210211 [0,1,0,0,0,0|1,0,0]=2 4959 B17R2.12116 CCCCOc1cc2ccccc2oc1=O 7a_100000061252_100000210211 [0,1,0,0,0,0|1,0,0]=2 4960 B17R2.12116 CCCCOc1cc2cccnc2cc1Br 34a_200010153759_100000210210 [0,1,0,0,0,0|1,0,0]=2 4961 B17R2.12116 CCCCOc1cc2cccnc2cc1Br 7a_200010153759_100000210211 [0,1,0,0,0,0|1,0,0]=2 4962 B17R2.12116 CCCCSc1cc2ccccc2cc1N 62a_100000210211_100009991566 [0,1,0,0,0,0|0,1,0]=2 4963 B17R2.12116 CCCCSc1cc2ccccc2cc1N 62a_100009991566_100000210210 [0,1,0,0,0,0|0,1,0]=2 4964 B17R2.12116 CCCCSc1cc2ccccc2cc1O 62a_100000210211_100009817189 [0,1,0,0,0,0|0,1,0]=2 4965 B17R2.12116 CCCCSc1cc2ccccc2nc1Cl 62a_100000210211_100010220712 [0,1,0,0,0,0|1,1,0]=3 4966 B17R2.12116 CCCCSc1cc2ccccc2nc1F 62a_100000210211_100011158909 [0,1,0,0,0,0|1,1,0]=3 4967 B17R2.12116 CCCCSc1cc2ccccc2nc1F 62a_100011158909_100000210210 [0,1,0,0,0,0|1,1,0]=3 4968 B17R2.12116 CCCCSc1cc2ccccc2nc1N 62a_100010135404_100000210210 [0,1,0,0,0,0|1,1,0]=3 4969 B17R2.12116 CCCCSc1cc2ccccc2nc1O 62a_100000210211_200009820883 [0,1,0,0,0,0|1,1,0]=3 4970 B17R2.12116 CCCCSc1cc2ccccc2oc1=O 62a_100000210211_200000187772 [0,1,0,0,0,0|1,1,0]=3 4971 B17R2.12116 CCCCSc1cc2cccnc2cc1C 62a_100000210211_100010137429 [0,1,0,0,0,0|1,1,0]=3 4972 B17R2.12116 CCCCSc1cc2cccnc2cc1C 62a_100010137429_100000210210 [0,1,0,0,0,0|1,1,0]=3 4973 B17R2.12116 CCCCSc1cc2cccnc2cc1F 62a_100000210211_100009854028 [0,1,0,0,0,0|1,1,0]=3 4974 B17R2.12116 CCCCSc1cc2cccnc2cc1F 62a_100009854028_100000210210 [0,1,0,0,0,0|1,1,0]=3 4975 B17R2.12116 CCCCSc1cc2ccncc2cc1F 62a_100000210211_100011105921 [0,1,0,0,0,0|1,1,0]=3 4976 B17R2.12116 CCCCSc1cc2ccncc2cc1F 62a_100011105921_100000210210 [0,1,0,0,0,0|1,1,0]=3 4977 B17R2.12116 CCCCSc1cc2cnccc2cc1F 62a_100000210211_100010244713 [0,1,0,0,0,0|1,1,0]=3 4978 B17R2.12116 CCCCSc1cc2cnccc2cc1F 62a_100010244713_100000210210 [0,1,0,0,0,0|1,1,0]=3 4979 B17R2.12116 CCCCSc1cc2ncccc2cc1O 62a_100000210211_200010153759 [0,1,0,0,0,0|1,1,0]=3 4980 B17R2.12116 CCCCSc1cc2nccnc2cc1C 62a_100000210211_100010080479 [0,1,0,0,0,0|2,1,0]=4 4981 B17R2.12116 CCCCSc1cc2nccnc2cc1C 62a_100010080479_100000210210 [0,1,0,0,0,0|2,1,0]=4 4982 B17R2.12116 CCCCSc1cc2nccnc2cc1F 62a_100000210211_100010080477 [0,1,0,0,0,0|2,1,0]=4 4983 B17R2.12116 CCCCSc1cc2nccnc2cc1F 62a_100010080477_100000210210 [0,1,0,0,0,0|2,1,0]=4 4984 B17R2.12116 CCCCSc1nc2ccccc2cc1Br 62a_100000210211_100010072790 [0,1,0,0,0,0|1,1,0]=3 4985 B17R2.12116 CCCCSc1nc2ccccc2cc1Br 62a_100010072790_100000210210 [0,1,0,0,0,0|1,1,0]=3 4986 B17R2.12116 CCCCSc1nc2ccccc2cc1C 62a_100000210211_100000751756 [0,1,0,0,0,0|1,1,0]=3 4987 B17R2.12116 CCCCSc1nc2ccccc2cc1O 62a_100000210211_200000100762 [0,1,0,0,0,0|1,1,0]=3 4988 B17R2.12116 CCCCSc1nc2ccccc2nc1C 62a_100000210211_100000185947 [0,1,0,0,0,0|2,1,0]=4 4989 B17R2.12116 CCCCSc1nc2ccccc2nc1C 62a_100000757254_100000210210 [0,1,0,0,0,0|2,1,0]=4 4990 B17R2.12116 CCCCSc1nc2ncccc2cc1C 62a_100000210211_100009877248 [0,1,0,0,0,0|2,1,0]=4 4991 B17R2.12116 CCCNCc1cc2ccccc2nc1O 207a_100020643023_100000184424 [0,1,0,0,0,0|3,0,0]=4 4992 B17R2.12116 CCCNCc1cc2ccccc2nc1O 270004a_100020643023_100000184424 [0,1,0,0,0,0|3,0,0]=4 4993 B17R2.12116 CCCOCc1cc2ccccc2nc1Cl 34a_100000210258_100000189640 [0,1,0,0,0,0|3,0,0]=4 4994 B17R2.12116 CCCOCc1cc2ccccc2nc1Cl 34a_100000754719_100000210303 [0,1,0,0,0,0|3,0,0]=4 4995 B17R2.12116 CCCOCc1cc2ccccc2nc1Cl 7a_100000754719_100000210303 [0,1,0,0,0,0|3,0,0]=4 4996 B17R2.12116 CCCSCc1cc2ccccc2nc1Cl 62a_100000210303_100000189640 [0,1,0,0,0,0|3,0,0]=4 4997 B17R2.12116 CCNCCc1cc2ccccc2nc1Cl 2230a_100015525214_100000066995 [0,1,0,0,0,0|3,0,0]=4 4998 B17R2.12116 CCNN=Cc1cc2ccccc2cc1O 4a_100000756455_200000074671 [0,1,0,0,0,0|3,0,0]=4 4999 B17R2.12116 CCOC=Cc1cc2ccccc2cc1Br 271570a_100016256518_200010169544 [0,1,0,0,0,0|2,0,1]=4 5000 B17R2.12116 CCOC=Cc1cc2ccccc2cc1Cl 271570a_100016256518_100010152806 [0,1,0,0,0,0|2,0,1]=4 5001 B17R2.12116 CCOC=Cc1cc2ccccc2cc1N 271570a_100016256518_100009991566 [0,1,0,0,0,0|2,0,1]=4 5002 B17R2.12116 CCOC=Cc1cc2ccccc2cc1O 271570a_100016256518_100009817189 [0,1,0,0,0,0|2,0,1]=4 5003 B17R2.12116 CCOCCc1cc2ccccc2nc1Cl 34a_100121572206_100000066995 [0,1,0,0,0,0|3,0,0]=4 5004 B17R2.12116 CCOCSc1cc2ccccc2cc1Br 62a_100000739092_200010169544 [0,1,0,0,0,0|1,1,0]=3 5005 B17R2.12116 CCOCSc1cc2ccccc2cc1Br 62a_200010169544_100000739092 [0,1,0,0,0,0|1,1,0]=3 5006 B17R2.12116 CCOCSc1cc2ccccc2cc1Cl 62a_100000739092_100010152806 [0,1,0,0,0,0|1,1,0]=3 5007 B17R2.12116 CCOCSc1cc2ccccc2cc1Cl 62a_100010152806_100000739092 [0,1,0,0,0,0|1,1,0]=3 5008 B17R2.12116 CCOCSc1cc2ccccc2cc1N 62a_100000739092_100009991566 [0,1,0,0,0,0|1,1,0]=3 5009 B17R2.12116 CCOCSc1cc2ccccc2cc1N 62a_100009991566_100000739092 [0,1,0,0,0,0|1,1,0]=3 5010 B17R2.12116 CCOCSc1cc2ccccc2cc1O 62a_100000739092_100009817189 [0,1,0,0,0,0|1,1,0]=3 5011 B17R2.12116 CCOCSc1cc2ccccc2nc1Cl 62a_100000739092_100010220712 [0,1,0,0,0,0|2,1,0]=4 5012 B17R2.12116 CCOCSc1cc2ccccc2nc1F 62a_100000739092_100011158909 [0,1,0,0,0,0|2,1,0]=4 5013 B17R2.12116 CCOCSc1cc2ccccc2nc1F 62a_100011158909_100000739092 [0,1,0,0,0,0|2,1,0]=4 5014 B17R2.12116 CCOCSc1cc2ccccc2nc1N 62a_100010135404_100000739092 [0,1,0,0,0,0|2,1,0]=4 5015 B17R2.12116 CCOCSc1cc2ccccc2nc1O 62a_100000739092_200009820883 [0,1,0,0,0,0|2,1,0]=4 5016 B17R2.12116 CCOCSc1cc2ccccc2oc1=O 62a_100000739092_200000187772 [0,1,0,0,0,0|2,1,0]=4 5017 B17R2.12116 CCOCSc1cc2cccnc2cc1C 62a_100000739092_100010137429 [0,1,0,0,0,0|2,1,0]=4 5018 B17R2.12116 CCOCSc1cc2cccnc2cc1C 62a_100010137429_100000739092 [0,1,0,0,0,0|2,1,0]=4 5019 B17R2.12116 CCOCSc1cc2cccnc2cc1F 62a_100000739092_100009854028 [0,1,0,0,0,0|2,1,0]=4 5020 B17R2.12116 CCOCSc1cc2cccnc2cc1F 62a_100009854028_100000739092 [0,1,0,0,0,0|2,1,0]=4 5021 B17R2.12116 CCOCSc1cc2ccncc2cc1F 62a_100000739092_100011105921 [0,1,0,0,0,0|2,1,0]=4 5022 B17R2.12116 CCOCSc1cc2ccncc2cc1F 62a_100011105921_100000739092 [0,1,0,0,0,0|2,1,0]=4 5023 B17R2.12116 CCOCSc1cc2cnccc2cc1F 62a_100000739092_100010244713 [0,1,0,0,0,0|2,1,0]=4 5024 B17R2.12116 CCOCSc1cc2cnccc2cc1F 62a_100010244713_100000739092 [0,1,0,0,0,0|2,1,0]=4 5025 B17R2.12116 CCOCSc1cc2ncccc2cc1O 62a_100000739092_200010153759 [0,1,0,0,0,0|2,1,0]=4 5026 B17R2.12116 CCOCSc1nc2ccccc2cc1Br 62a_100000739092_100010072790 [0,1,0,0,0,0|2,1,0]=4 5027 B17R2.12116 CCOCSc1nc2ccccc2cc1Br 62a_100010072790_100000739092 [0,1,0,0,0,0|2,1,0]=4 5028 B17R2.12116 CCOCSc1nc2ccccc2cc1C 62a_100000739092_100000751756 [0,1,0,0,0,0|2,1,0]=4 5029 B17R2.12116 CCOCSc1nc2ccccc2cc1O 62a_100000739092_200000100762 [0,1,0,0,0,0|2,1,0]=4 5030 B17R2.12116 CCSCCc1cc2ccccc2nc1Cl 62a_100000210202_100000066995 [0,1,0,0,0,0|3,0,0]=4 5031 B17R2.12116 COCC=Cc1cc2ccccc2cc1Br 271570a_100016286323_200010169544 [0,1,0,0,0,0|2,0,1]=4 5032 B17R2.12116 COCC=Cc1cc2ccccc2cc1Cl 271570a_100016286323_100010152806 [0,1,0,0,0,0|2,0,1]=4 5033 B17R2.12116 COCC=Cc1cc2ccccc2cc1N 271570a_100016286323_100009991566 [0,1,0,0,0,0|2,0,1]=4 5034 B17R2.12116 COCC=Cc1cc2ccccc2cc1O 271570a_100016286323_100009817189 [0,1,0,0,0,0|2,0,1]=4 5035 B17R2.12116 COCCNc1cc2ccccc2cc1Br 34a_100009991566_100011201679 [0,1,0,0,0,0|2,0,0]=3 5036 B17R2.12116 COCCNc1cc2ccccc2cc1Br 7a_100009991566_100000233755 [0,1,0,0,0,0|2,0,0]=3 5037 B17R2.12116 COCCNc1nc2ccccc2cc1C 27a_100000209980_100000751756 [0,1,0,0,0,0|3,0,0]=4 5038 B17R2.12116 COCCOc1cc2ccccc2cc1Br 34a_100009817189_100011201679 [0,1,0,0,0,0|1,0,0]=2 5039 B17R2.12116 COCCOc1cc2ccccc2cc1Br 7a_100009817189_100000233755 [0,1,0,0,0,0|1,0,0]=2 5040 B17R2.12116 COCCOc1cc2ccccc2cc1C 34a_100000091601_100011201679 [0,1,0,0,0,0|1,0,0]=2 5041 B17R2.12116 COCCOc1cc2ccccc2cc1C 7a_100000091601_100000233755 [0,1,0,0,0,0|1,0,0]=2 5042 B17R2.12116 COCCOc1cc2ccccc2cc1N 34a_106744474703_100011201679 [0,1,0,0,0,0|1,0,0]=2 5043 B17R2.12116 COCCOc1cc2ccccc2cc1N 7a_106744474703_100000233755 [0,1,0,0,0,0|1,0,0]=2 5044 B17R2.12116 COCCOc1cc2ccccc2nc1C 34a_200000079175_100011201679 [0,1,0,0,0,0|2,0,0]=3 5045 B17R2.12116 COCCOc1cc2ccccc2nc1C 7a_200000079175_100000233755 [0,1,0,0,0,0|2,0,0]=3 5046 B17R2.12116 COCCOc1cc2ccccc2nc1Cl 34a_200000100762_100011201679 [0,1,0,0,0,0|2,0,0]=3 5047 B17R2.12116 COCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000233755 [0,1,0,0,0,0|2,0,0]=3 5048 B17R2.12116 COCCOc1cc2ccccc2oc1=O 7a_100000061252_100000233755 [0,1,0,0,0,0|2,0,0]=3 5049 B17R2.12116 COCCOc1cc2cccnc2cc1Br 34a_200010153759_100011201679 [0,1,0,0,0,0|2,0,0]=3 5050 B17R2.12116 COCCOc1cc2cccnc2cc1Br 7a_200010153759_100000233755 [0,1,0,0,0,0|2,0,0]=3 5051 B17R2.12116 COCCSc1cc2ccccc2cc1Br 62a_100000233755_200010169544 [0,1,0,0,0,0|1,1,0]=3 5052 B17R2.12116 COCCSc1cc2ccccc2cc1Br 62a_200010169544_100000233755 [0,1,0,0,0,0|1,1,0]=3 5053 B17R2.12116 COCCSc1cc2ccccc2cc1Cl 62a_100000233755_100010152806 [0,1,0,0,0,0|1,1,0]=3 5054 B17R2.12116 COCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000233755 [0,1,0,0,0,0|1,1,0]=3 5055 B17R2.12116 COCCSc1cc2ccccc2cc1N 62a_100000233755_100009991566 [0,1,0,0,0,0|1,1,0]=3 5056 B17R2.12116 COCCSc1cc2ccccc2cc1N 62a_100009991566_100000233755 [0,1,0,0,0,0|1,1,0]=3 5057 B17R2.12116 COCCSc1cc2ccccc2cc1O 62a_100000233755_100009817189 [0,1,0,0,0,0|1,1,0]=3 5058 B17R2.12116 COCCSc1cc2ccccc2nc1Cl 62a_100000233755_100010220712 [0,1,0,0,0,0|2,1,0]=4 5059 B17R2.12116 COCCSc1cc2ccccc2nc1F 62a_100000233755_100011158909 [0,1,0,0,0,0|2,1,0]=4 5060 B17R2.12116 COCCSc1cc2ccccc2nc1F 62a_100011158909_100000233755 [0,1,0,0,0,0|2,1,0]=4 5061 B17R2.12116 COCCSc1cc2ccccc2nc1N 62a_100010135404_100000233755 [0,1,0,0,0,0|2,1,0]=4 5062 B17R2.12116 COCCSc1cc2ccccc2nc1O 62a_100000233755_200009820883 [0,1,0,0,0,0|2,1,0]=4 5063 B17R2.12116 COCCSc1cc2ccccc2oc1=O 62a_100000233755_200000187772 [0,1,0,0,0,0|2,1,0]=4 5064 B17R2.12116 COCCSc1cc2cccnc2cc1C 62a_100000233755_100010137429 [0,1,0,0,0,0|2,1,0]=4 5065 B17R2.12116 COCCSc1cc2cccnc2cc1C 62a_100010137429_100000233755 [0,1,0,0,0,0|2,1,0]=4 5066 B17R2.12116 COCCSc1cc2cccnc2cc1F 62a_100000233755_100009854028 [0,1,0,0,0,0|2,1,0]=4 5067 B17R2.12116 COCCSc1cc2cccnc2cc1F 62a_100009854028_100000233755 [0,1,0,0,0,0|2,1,0]=4 5068 B17R2.12116 COCCSc1cc2ccncc2cc1F 62a_100000233755_100011105921 [0,1,0,0,0,0|2,1,0]=4 5069 B17R2.12116 COCCSc1cc2ccncc2cc1F 62a_100011105921_100000233755 [0,1,0,0,0,0|2,1,0]=4 5070 B17R2.12116 COCCSc1cc2cnccc2cc1F 62a_100000233755_100010244713 [0,1,0,0,0,0|2,1,0]=4 5071 B17R2.12116 COCCSc1cc2cnccc2cc1F 62a_100010244713_100000233755 [0,1,0,0,0,0|2,1,0]=4 5072 B17R2.12116 COCCSc1cc2ncccc2cc1O 62a_100000233755_200010153759 [0,1,0,0,0,0|2,1,0]=4 5073 B17R2.12116 COCCSc1nc2ccccc2cc1Br 62a_100000233755_100010072790 [0,1,0,0,0,0|2,1,0]=4 5074 B17R2.12116 COCCSc1nc2ccccc2cc1Br 62a_100010072790_100000233755 [0,1,0,0,0,0|2,1,0]=4 5075 B17R2.12116 COCCSc1nc2ccccc2cc1C 62a_100000233755_100000751756 [0,1,0,0,0,0|2,1,0]=4 5076 B17R2.12116 COCCSc1nc2ccccc2cc1O 62a_100000233755_200000100762 [0,1,0,0,0,0|2,1,0]=4 5077 B17R2.12116 CSCCNc1cc2ccccc2cc1Br 34a_100009991566_100000212216 [0,1,0,0,0,0|2,0,0]=3 5078 B17R2.12116 CSCCNc1cc2ccccc2cc1Br 7a_100009991566_100000212216 [0,1,0,0,0,0|2,0,0]=3 5079 B17R2.12116 CSCCNc1nc2ccccc2cc1C 27a_100020590264_100000751756 [0,1,0,0,0,0|3,0,0]=4 5080 B17R2.12116 CSCCOc1cc2ccccc2cc1Br 34a_100009817189_100000212216 [0,1,0,0,0,0|1,0,0]=2 5081 B17R2.12116 CSCCOc1cc2ccccc2cc1Br 7a_100009817189_100000212216 [0,1,0,0,0,0|1,0,0]=2 5082 B17R2.12116 CSCCOc1cc2ccccc2cc1C 34a_100000091601_100000212216 [0,1,0,0,0,0|1,0,0]=2 5083 B17R2.12116 CSCCOc1cc2ccccc2cc1C 7a_100000091601_100000212216 [0,1,0,0,0,0|1,0,0]=2 5084 B17R2.12116 CSCCOc1cc2ccccc2cc1N 34a_106744474703_100000212216 [0,1,0,0,0,0|1,0,0]=2 5085 B17R2.12116 CSCCOc1cc2ccccc2cc1N 7a_106744474703_100000212216 [0,1,0,0,0,0|1,0,0]=2 5086 B17R2.12116 CSCCOc1cc2ccccc2nc1C 34a_200000079175_100000212216 [0,1,0,0,0,0|2,0,0]=3 5087 B17R2.12116 CSCCOc1cc2ccccc2nc1C 7a_200000079175_100000212216 [0,1,0,0,0,0|2,0,0]=3 5088 B17R2.12116 CSCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000212216 [0,1,0,0,0,0|2,0,0]=3 5089 B17R2.12116 CSCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000212216 [0,1,0,0,0,0|2,0,0]=3 5090 B17R2.12116 CSCCOc1cc2ccccc2oc1=O 7a_100000061252_100000212216 [0,1,0,0,0,0|2,0,0]=3 5091 B17R2.12116 CSCCOc1cc2cccnc2cc1Br 34a_200010153759_100000212216 [0,1,0,0,0,0|2,0,0]=3 5092 B17R2.12116 CSCCOc1cc2cccnc2cc1Br 7a_200010153759_100000212216 [0,1,0,0,0,0|2,0,0]=3 5093 B17R2.12116 CSCCSc1cc2ccccc2cc1Cl 62a_100000212216_100010152806 [0,1,0,0,0,0|1,1,0]=3 5094 B17R2.12116 CSCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000751147 [0,1,0,0,0,0|1,1,0]=3 5095 B17R2.12116 CSCCSc1cc2ccccc2cc1N 62a_100000212216_100009991566 [0,1,0,0,0,0|1,1,0]=3 5096 B17R2.12116 CSCCSc1cc2ccccc2cc1N 62a_100009991566_100000751147 [0,1,0,0,0,0|1,1,0]=3 5097 B17R2.12116 CSCCSc1cc2ccccc2cc1O 62a_100000212216_100009817189 [0,1,0,0,0,0|1,1,0]=3 5098 B17R2.12116 CSCCSc1cc2ccccc2nc1Cl 62a_100000212216_100010220712 [0,1,0,0,0,0|2,1,0]=4 5099 B17R2.12116 CSCCSc1cc2ccccc2nc1F 62a_100000212216_100011158909 [0,1,0,0,0,0|2,1,0]=4 5100 B17R2.12116 CSCCSc1cc2ccccc2nc1F 62a_100011158909_100000751147 [0,1,0,0,0,0|2,1,0]=4 5101 B17R2.12116 CSCCSc1cc2ccccc2nc1N 62a_100010135404_100000751147 [0,1,0,0,0,0|2,1,0]=4 5102 B17R2.12116 CSCCSc1cc2ccccc2nc1O 62a_100000212216_200009820883 [0,1,0,0,0,0|2,1,0]=4 5103 B17R2.12116 CSCCSc1cc2ccccc2oc1=O 62a_100000212216_200000187772 [0,1,0,0,0,0|2,1,0]=4 5104 B17R2.12116 CSCCSc1cc2cccnc2cc1C 62a_100000212216_100010137429 [0,1,0,0,0,0|2,1,0]=4 5105 B17R2.12116 CSCCSc1cc2cccnc2cc1C 62a_100010137429_100000751147 [0,1,0,0,0,0|2,1,0]=4 5106 B17R2.12116 CSCCSc1cc2cccnc2cc1F 62a_100000212216_100009854028 [0,1,0,0,0,0|2,1,0]=4 5107 B17R2.12116 CSCCSc1cc2cccnc2cc1F 62a_100009854028_100000751147 [0,1,0,0,0,0|2,1,0]=4 5108 B17R2.12116 CSCCSc1cc2ccncc2cc1F 62a_100000212216_100011105921 [0,1,0,0,0,0|2,1,0]=4 5109 B17R2.12116 CSCCSc1cc2ccncc2cc1F 62a_100011105921_100000751147 [0,1,0,0,0,0|2,1,0]=4 5110 B17R2.12116 CSCCSc1cc2cnccc2cc1F 62a_100000212216_100010244713 [0,1,0,0,0,0|2,1,0]=4 5111 B17R2.12116 CSCCSc1cc2cnccc2cc1F 62a_100010244713_100000751147 [0,1,0,0,0,0|2,1,0]=4 5112 B17R2.12116 CSCCSc1cc2ncccc2cc1O 62a_100000212216_200010153759 [0,1,0,0,0,0|2,1,0]=4 5113 B17R2.12116 CSCCSc1nc2ccccc2cc1Br 62a_100000212216_100010072790 [0,1,0,0,0,0|2,1,0]=4 5114 B17R2.12116 CSCCSc1nc2ccccc2cc1Br 62a_100010072790_100000751147 [0,1,0,0,0,0|2,1,0]=4 5115 B17R2.12116 CSCCSc1nc2ccccc2cc1C 62a_100000212216_100000751756 [0,1,0,0,0,0|2,1,0]=4 5116 B17R2.12116 CSCCSc1nc2ccccc2cc1O 62a_100000212216_200000100762 [0,1,0,0,0,0|2,1,0]=4 5117 B17R2.12116 Cc1cc2ccccc2cc1OCCC#N 7a_100000091601_100000184422 [0,1,0,0,0,0|1,0,1]=3 5118 B17R2.12116 Cc1cc2ccccc2cc1OCCCF 34a_100000091601_100011934791 [0,1,0,0,0,0|1,0,0]=2 5119 B17R2.12116 Cc1cc2ccccc2cc1OCCCF 7a_100000091601_100011934791 [0,1,0,0,0,0|1,0,0]=2 5120 B17R2.12116 Cc1cc2ccccc2cc1OCCCO 34a_100000091601_100000230001 [0,1,0,0,0,0|1,0,0]=2 5121 B17R2.12116 Cc1cc2ccccc2cc1OCCCO 7a_100000091601_100011215043 [0,1,0,0,0,0|1,0,0]=2 5122 B17R2.12116 Cc1cc2ccccc2nc1NCCCF 27a_100015189416_100000751756 [0,1,0,0,0,0|3,0,0]=4 5123 B17R2.12116 Cc1cc2ccccc2nc1NCCCO 27a_100000182051_100000751756 [0,1,0,0,0,0|3,0,0]=4 5124 B17R2.12116 Cc1cc2ccccc2nc1SCCCF 62a_100011934791_100000751756 [0,1,0,0,0,0|2,1,0]=4 5125 B17R2.12116 Cc1cc2ccccc2nc1SCCCO 62a_100011215043_100000751756 [0,1,0,0,0,0|2,1,0]=4 5126 B17R2.12116 Cc1cc2ncccc2cc1SCCCF 62a_100010137429_100011934791 [0,1,0,0,0,0|2,1,0]=4 5127 B17R2.12116 Cc1cc2ncccc2cc1SCCCF 62a_100011934791_100010137429 [0,1,0,0,0,0|2,1,0]=4 5128 B17R2.12116 Cc1cc2ncccc2cc1SCCCO 62a_100010137429_100011215043 [0,1,0,0,0,0|2,1,0]=4 5129 B17R2.12116 Cc1cc2ncccc2cc1SCCCO 62a_100011215043_100010137429 [0,1,0,0,0,0|2,1,0]=4 5130 B17R2.12116 Cc1nc2ccccc2cc1OCCC#N 7a_200000079175_100000184422 [0,1,0,0,0,0|2,0,1]=4 5131 B17R2.12116 Cc1nc2ccccc2cc1OCCCF 34a_200000079175_100011934791 [0,1,0,0,0,0|2,0,0]=3 5132 B17R2.12116 Cc1nc2ccccc2cc1OCCCF 7a_200000079175_100011934791 [0,1,0,0,0,0|2,0,0]=3 5133 B17R2.12116 Cc1nc2ccccc2cc1OCCCO 34a_200000079175_100000230001 [0,1,0,0,0,0|2,0,0]=3 5134 B17R2.12116 Cc1nc2ccccc2cc1OCCCO 7a_200000079175_100011215043 [0,1,0,0,0,0|2,0,0]=3 5135 B17R2.12116 FCCCNc1cc2ccccc2cc1Br 34a_100009991566_100011934791 [0,1,0,0,0,0|2,0,0]=3 5136 B17R2.12116 FCCCNc1cc2ccccc2cc1Br 7a_100009991566_100011934791 [0,1,0,0,0,0|2,0,0]=3 5137 B17R2.12116 FCCCOc1cc2ccccc2cc1Br 34a_100009817189_100011934791 [0,1,0,0,0,0|1,0,0]=2 5138 B17R2.12116 FCCCOc1cc2ccccc2cc1Br 7a_100009817189_100011934791 [0,1,0,0,0,0|1,0,0]=2 5139 B17R2.12116 FCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100011934791 [0,1,0,0,0,0|2,0,0]=3 5140 B17R2.12116 FCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100011934791 [0,1,0,0,0,0|2,0,0]=3 5141 B17R2.12116 FCCCOc1cc2cccnc2cc1Br 34a_200010153759_100011934791 [0,1,0,0,0,0|2,0,0]=3 5142 B17R2.12116 FCCCOc1cc2cccnc2cc1Br 7a_200010153759_100011934791 [0,1,0,0,0,0|2,0,0]=3 5143 B17R2.12116 FCCCSc1cc2ccccc2cc1Cl 62a_100010152806_100011934791 [0,1,0,0,0,0|1,1,0]=3 5144 B17R2.12116 FCCCSc1cc2ccccc2cc1Cl 62a_100011934791_100010152806 [0,1,0,0,0,0|1,1,0]=3 5145 B17R2.12116 FCCCSc1cc2ccccc2nc1Cl 62a_100011934791_100010220712 [0,1,0,0,0,0|2,1,0]=4 5146 B17R2.12116 FCCCSc1cc2ccccc2nc1F 62a_100011158909_100011934791 [0,1,0,0,0,0|2,1,0]=4 5147 B17R2.12116 FCCCSc1cc2ccccc2nc1F 62a_100011934791_100011158909 [0,1,0,0,0,0|2,1,0]=4 5148 B17R2.12116 FCCCSc1cc2cccnc2cc1F 62a_100009854028_100011934791 [0,1,0,0,0,0|2,1,0]=4 5149 B17R2.12116 FCCCSc1cc2cccnc2cc1F 62a_100011934791_100009854028 [0,1,0,0,0,0|2,1,0]=4 5150 B17R2.12116 FCCCSc1cc2ccncc2cc1F 62a_100011105921_100011934791 [0,1,0,0,0,0|2,1,0]=4 5151 B17R2.12116 FCCCSc1cc2ccncc2cc1F 62a_100011934791_100011105921 [0,1,0,0,0,0|2,1,0]=4 5152 B17R2.12116 FCCCSc1cc2cnccc2cc1F 62a_100010244713_100011934791 [0,1,0,0,0,0|2,1,0]=4 5153 B17R2.12116 FCCCSc1cc2cnccc2cc1F 62a_100011934791_100010244713 [0,1,0,0,0,0|2,1,0]=4 5154 B17R2.12116 FCCCSc1nc2ccccc2cc1Br 62a_100010072790_100011934791 [0,1,0,0,0,0|2,1,0]=4 5155 B17R2.12116 FCCCSc1nc2ccccc2cc1Br 62a_100011934791_100010072790 [0,1,0,0,0,0|2,1,0]=4 5156 B17R2.12116 N#CCCNc1cc2ccccc2cc1Br 7a_100009991566_100000184422 [0,1,0,0,0,0|2,0,1]=4 5157 B17R2.12116 N#CCCOc1cc2ccccc2cc1Br 7a_100009817189_100000184422 [0,1,0,0,0,0|1,0,1]=3 5158 B17R2.12116 N#CCCOc1cc2ccccc2cc1N 7a_106744474703_100000184422 [0,1,0,0,0,0|1,0,1]=3 5159 B17R2.12116 N#CCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000184422 [0,1,0,0,0,0|2,0,1]=4 5160 B17R2.12116 N#CCCOc1cc2ccccc2oc1=O 7a_100000061252_100000184422 [0,1,0,0,0,0|2,0,1]=4 5161 B17R2.12116 N#CCCOc1cc2cccnc2cc1Br 7a_200010153759_100000184422 [0,1,0,0,0,0|2,0,1]=4 5162 B17R2.12116 N#CCCSc1cc2ccccc2cc1Br 62a_100011215226_200010169544 [0,1,0,0,0,0|1,1,1]=4 5163 B17R2.12116 N#CCCSc1cc2ccccc2cc1Br 62a_200010169544_100011215226 [0,1,0,0,0,0|1,1,1]=4 5164 B17R2.12116 N#CCCSc1cc2ccccc2cc1Cl 62a_100010152806_100011215226 [0,1,0,0,0,0|1,1,1]=4 5165 B17R2.12116 N#CCCSc1cc2ccccc2cc1Cl 62a_100011215226_100010152806 [0,1,0,0,0,0|1,1,1]=4 5166 B17R2.12116 N#CCCSc1cc2ccccc2cc1N 62a_100009991566_100011215226 [0,1,0,0,0,0|1,1,1]=4 5167 B17R2.12116 N#CCCSc1cc2ccccc2cc1N 62a_100011215226_100009991566 [0,1,0,0,0,0|1,1,1]=4 5168 B17R2.12116 N#CCCSc1cc2ccccc2cc1O 62a_100011215226_100009817189 [0,1,0,0,0,0|1,1,1]=4 5169 B17R2.12116 Nc1cc2ccccc2cc1OCCCF 34a_106744474703_100011934791 [0,1,0,0,0,0|1,0,0]=2 5170 B17R2.12116 Nc1cc2ccccc2cc1OCCCF 7a_106744474703_100011934791 [0,1,0,0,0,0|1,0,0]=2 5171 B17R2.12116 Nc1cc2ccccc2cc1OCCCO 34a_106744474703_100000230001 [0,1,0,0,0,0|1,0,0]=2 5172 B17R2.12116 Nc1cc2ccccc2cc1OCCCO 7a_106744474703_100011215043 [0,1,0,0,0,0|1,0,0]=2 5173 B17R2.12116 Nc1cc2ccccc2cc1SCCCF 62a_100009991566_100011934791 [0,1,0,0,0,0|1,1,0]=3 5174 B17R2.12116 Nc1cc2ccccc2cc1SCCCF 62a_100011934791_100009991566 [0,1,0,0,0,0|1,1,0]=3 5175 B17R2.12116 Nc1cc2ccccc2cc1SCCCO 62a_100009991566_100011215043 [0,1,0,0,0,0|1,1,0]=3 5176 B17R2.12116 Nc1cc2ccccc2cc1SCCCO 62a_100011215043_100009991566 [0,1,0,0,0,0|1,1,0]=3 5177 B17R2.12116 Nc1nc2ccccc2cc1SCCCF 62a_100010135404_100011934791 [0,1,0,0,0,0|2,1,0]=4 5178 B17R2.12116 Nc1nc2ccccc2cc1SCCCO 62a_100010135404_100011215043 [0,1,0,0,0,0|2,1,0]=4 5179 B17R2.12116 O=c1oc2ccccc2cc1OCCCF 7a_100000061252_100011934791 [0,1,0,0,0,0|2,0,0]=3 5180 B17R2.12116 O=c1oc2ccccc2cc1OCCCO 7a_100000061252_100011215043 [0,1,0,0,0,0|2,0,0]=3 5181 B17R2.12116 O=c1oc2ccccc2cc1SCCCF 62a_100011934791_200000187772 [0,1,0,0,0,0|2,1,0]=4 5182 B17R2.12116 O=c1oc2ccccc2cc1SCCCO 62a_100011215043_200000187772 [0,1,0,0,0,0|2,1,0]=4 5183 B17R2.12116 OCCCNc1cc2ccccc2cc1Br 34a_100009991566_100000230001 [0,1,0,0,0,0|2,0,0]=3 5184 B17R2.12116 OCCCNc1cc2ccccc2cc1Br 7a_100009991566_100011215043 [0,1,0,0,0,0|2,0,0]=3 5185 B17R2.12116 OCCCOc1cc2ccccc2cc1Br 34a_100009817189_100000230001 [0,1,0,0,0,0|1,0,0]=2 5186 B17R2.12116 OCCCOc1cc2ccccc2cc1Br 7a_100009817189_100011215043 [0,1,0,0,0,0|1,0,0]=2 5187 B17R2.12116 OCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000230001 [0,1,0,0,0,0|2,0,0]=3 5188 B17R2.12116 OCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100011215043 [0,1,0,0,0,0|2,0,0]=3 5189 B17R2.12116 OCCCOc1cc2cccnc2cc1Br 34a_200010153759_100000230001 [0,1,0,0,0,0|2,0,0]=3 5190 B17R2.12116 OCCCOc1cc2cccnc2cc1Br 7a_200010153759_100011215043 [0,1,0,0,0,0|2,0,0]=3 5191 B17R2.12116 OCCCSc1cc2ccccc2cc1Br 62a_100011215043_200010169544 [0,1,0,0,0,0|1,1,0]=3 5192 B17R2.12116 OCCCSc1cc2ccccc2cc1Br 62a_200010169544_100011215043 [0,1,0,0,0,0|1,1,0]=3 5193 B17R2.12116 OCCCSc1cc2ccccc2cc1Cl 62a_100010152806_100011215043 [0,1,0,0,0,0|1,1,0]=3 5194 B17R2.12116 OCCCSc1cc2ccccc2cc1Cl 62a_100011215043_100010152806 [0,1,0,0,0,0|1,1,0]=3 5195 B17R2.12116 OCCCSc1cc2ccccc2cc1O 62a_100011215043_100009817189 [0,1,0,0,0,0|1,1,0]=3 5196 B17R2.12116 OCCCSc1cc2ccccc2nc1Cl 62a_100011215043_100010220712 [0,1,0,0,0,0|2,1,0]=4 5197 B17R2.12116 OCCCSc1cc2ccccc2nc1F 62a_100011158909_100011215043 [0,1,0,0,0,0|2,1,0]=4 5198 B17R2.12116 OCCCSc1cc2ccccc2nc1F 62a_100011215043_100011158909 [0,1,0,0,0,0|2,1,0]=4 5199 B17R2.12116 OCCCSc1cc2ccccc2nc1O 62a_100011215043_200009820883 [0,1,0,0,0,0|2,1,0]=4 5200 B17R2.12116 OCCCSc1cc2cccnc2cc1F 62a_100009854028_100011215043 [0,1,0,0,0,0|2,1,0]=4 5201 B17R2.12116 OCCCSc1cc2cccnc2cc1F 62a_100011215043_100009854028 [0,1,0,0,0,0|2,1,0]=4 5202 B17R2.12116 OCCCSc1cc2ccncc2cc1F 62a_100011105921_100011215043 [0,1,0,0,0,0|2,1,0]=4 5203 B17R2.12116 OCCCSc1cc2ccncc2cc1F 62a_100011215043_100011105921 [0,1,0,0,0,0|2,1,0]=4 5204 B17R2.12116 OCCCSc1cc2cnccc2cc1F 62a_100010244713_100011215043 [0,1,0,0,0,0|2,1,0]=4 5205 B17R2.12116 OCCCSc1cc2cnccc2cc1F 62a_100011215043_100010244713 [0,1,0,0,0,0|2,1,0]=4 5206 B17R2.12116 OCCCSc1cc2ncccc2cc1O 62a_100011215043_200010153759 [0,1,0,0,0,0|2,1,0]=4 5207 B17R2.12116 OCCCSc1nc2ccccc2cc1Br 62a_100010072790_100011215043 [0,1,0,0,0,0|2,1,0]=4 5208 B17R2.12116 OCCCSc1nc2ccccc2cc1Br 62a_100011215043_100010072790 [0,1,0,0,0,0|2,1,0]=4 5209 B17R2.12116 OCCCSc1nc2ccccc2cc1O 62a_100011215043_200000100762 [0,1,0,0,0,0|2,1,0]=4 5210 B17R2.12116 Oc1cc2ccccc2cc1SCCCF 62a_100011934791_100009817189 [0,1,0,0,0,0|1,1,0]=3 5211 B17R2.12116 Oc1cc2ccccc2nc1SCCCF 62a_100011934791_200000100762 [0,1,0,0,0,0|2,1,0]=4 5212 B17R2.12116 Oc1cc2cccnc2cc1SCCCF 62a_100011934791_200010153759 [0,1,0,0,0,0|2,1,0]=4 5213 B17R2.12116 Oc1nc2ccccc2cc1SCCCF 62a_100011934791_200009820883 [0,1,0,0,0,0|2,1,0]=4 5214 B17R2.73925 BrCCOCc1ccc2cc(ccc2c1)Br 34a_100000211926_100012356510 [0,1,0,0,0,0|3,0,0]=4 5215 B17R2.73925 C#CCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000688953 [0,1,0,0,0,0|1,0,2]=4 5216 B17R2.73925 C#CCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000688953 [0,1,0,0,0,0|1,0,2]=4 5217 B17R2.73925 C#CCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000688953 [0,1,0,0,0,0|0,0,2]=3 5218 B17R2.73925 C#CCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000688953 [0,1,0,0,0,0|0,0,2]=3 5219 B17R2.73925 C#CCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000688953 [0,1,0,0,0,0|0,0,2]=3 5220 B17R2.73925 C#CCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000688953 [0,1,0,0,0,0|0,0,2]=3 5221 B17R2.73925 C#CCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000688953 [0,1,0,0,0,0|0,0,2]=3 5222 B17R2.73925 C#CCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000688953 [0,1,0,0,0,0|0,0,2]=3 5223 B17R2.73925 C#CCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000688953 [0,1,0,0,0,0|0,0,2]=3 5224 B17R2.73925 C#CCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000688953 [0,1,0,0,0,0|0,0,2]=3 5225 B17R2.73925 C#CCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000688953 [0,1,0,0,0,0|1,0,2]=4 5226 B17R2.73925 C#CCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000688953 [0,1,0,0,0,0|1,0,2]=4 5227 B17R2.73925 C#CCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000688953 [0,1,0,0,0,0|1,0,2]=4 5228 B17R2.73925 C#CCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000688953 [0,1,0,0,0,0|1,0,2]=4 5229 B17R2.73925 C#CCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000688953 [0,1,0,0,0,0|1,0,2]=4 5230 B17R2.73925 C#CCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000688953 [0,1,0,0,0,0|1,0,2]=4 5231 B17R2.73925 C#CCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000688953 [0,1,0,0,0,0|1,0,2]=4 5232 B17R2.73925 C#CCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000688953 [0,1,0,0,0,0|1,0,2]=4 5233 B17R2.73925 C#CCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000688953 [0,1,0,0,0,0|1,0,2]=4 5234 B17R2.73925 C#CCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000688953 [0,1,0,0,0,0|1,0,2]=4 5235 B17R2.73925 C#CCCSc1ccc2cc(ccc2c1)Br 62a_100000688953_100012344972 [0,1,0,0,0,0|0,1,2]=4 5236 B17R2.73925 C#CCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000688953 [0,1,0,0,0,0|0,1,2]=4 5237 B17R2.73925 C#CCCSc1ccc2cc(ccc2c1)F 62a_100000688953_100009817052 [0,1,0,0,0,0|0,1,2]=4 5238 B17R2.73925 C#CCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000688953 [0,1,0,0,0,0|0,1,2]=4 5239 B17R2.73925 C#CCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000688953 [0,1,0,0,0,0|0,1,2]=4 5240 B17R2.73925 C#CCCSc1ccc2cc(ccc2c1)N 62a_100000688953_100000185457 [0,1,0,0,0,0|0,1,2]=4 5241 B17R2.73925 C#CCCSc1ccc2cc(ccc2c1)O 62a_100000688953_100000185455 [0,1,0,0,0,0|0,1,2]=4 5242 B17R2.73925 C/C=C/CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100102629194 [0,1,0,0,0,0|1,0,2]=4 5243 B17R2.73925 C/C=C/CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100102629194 [0,1,0,0,0,0|1,0,2]=4 5244 B17R2.73925 C/C=C/COc1ccc2cc(ccc2c1)Br 34a_100000185455_100102629194 [0,1,0,0,0,0|0,0,2]=3 5245 B17R2.73925 C/C=C/COc1ccc2cc(ccc2c1)Br 7a_100000185455_100102629194 [0,1,0,0,0,0|0,0,2]=3 5246 B17R2.73925 C/C=C/COc1ccc2cc(ccc2c1)C 34a_100000074090_100102629194 [0,1,0,0,0,0|0,0,2]=3 5247 B17R2.73925 C/C=C/COc1ccc2cc(ccc2c1)C 7a_100000074090_100102629194 [0,1,0,0,0,0|0,0,2]=3 5248 B17R2.73925 C/C=C/COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100102629194 [0,1,0,0,0,0|0,0,2]=3 5249 B17R2.73925 C/C=C/COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100102629194 [0,1,0,0,0,0|0,0,2]=3 5250 B17R2.73925 C/C=C/COc1ccc2cc(ccc2c1)F 34a_100009847029_100102629194 [0,1,0,0,0,0|0,0,2]=3 5251 B17R2.73925 C/C=C/COc1ccc2cc(ccc2c1)F 7a_100009847029_100102629194 [0,1,0,0,0,0|0,0,2]=3 5252 B17R2.73925 C/C=C/COc1ccc2cc(cnc2c1)Br 34a_200010153753_100102629194 [0,1,0,0,0,0|1,0,2]=4 5253 B17R2.73925 C/C=C/COc1ccc2cc(cnc2c1)Br 7a_200010153753_100102629194 [0,1,0,0,0,0|1,0,2]=4 5254 B17R2.73925 C/C=C/COc1ccc2nc(ccc2c1)C 34a_100000037634_100102629194 [0,1,0,0,0,0|1,0,2]=4 5255 B17R2.73925 C/C=C/COc1ccc2nc(ccc2c1)C 7a_100000037634_100102629194 [0,1,0,0,0,0|1,0,2]=4 5256 B17R2.73925 C/C=C/COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100102629194 [0,1,0,0,0,0|1,0,2]=4 5257 B17R2.73925 C/C=C/COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100102629194 [0,1,0,0,0,0|1,0,2]=4 5258 B17R2.73925 C/C=C/COc1ccc2oc(=O)ccc2c1 34a_100000066265_100102629194 [0,1,0,0,0,0|1,0,2]=4 5259 B17R2.73925 C/C=C/COc1ccc2oc(=O)ccc2c1 7a_100000066265_100102629194 [0,1,0,0,0,0|1,0,2]=4 5260 B17R2.73925 C/C=C/COc1cnc2cc(ccc2c1)F 34a_100012184162_100102629194 [0,1,0,0,0,0|1,0,2]=4 5261 B17R2.73925 C/C=C/COc1cnc2cc(ccc2c1)F 7a_100012184162_100102629194 [0,1,0,0,0,0|1,0,2]=4 5262 B17R2.73925 C/C=C/CSc1ccc2cc(ccc2c1)F 62a_100009817052_100102629194 [0,1,0,0,0,0|0,1,2]=4 5263 B17R2.73925 C/C=C/CSc1ccc2cc(ccc2c1)F 62a_100102629194_100009817052 [0,1,0,0,0,0|0,1,2]=4 5264 B17R2.73925 C/C=C/CSc1ccc2cc(ccc2c1)N 62a_100000185457_100102629194 [0,1,0,0,0,0|0,1,2]=4 5265 B17R2.73925 C/C=C/CSc1ccc2cc(ccc2c1)N 62a_100102629194_100000185457 [0,1,0,0,0,0|0,1,2]=4 5266 B17R2.73925 C/C=C/CSc1ccc2cc(ccc2c1)O 62a_100102629194_100000185455 [0,1,0,0,0,0|0,1,2]=4 5267 B17R2.73925 C=CCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000754431 [0,1,0,0,0,0|1,0,2]=4 5268 B17R2.73925 C=CCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000754431 [0,1,0,0,0,0|1,0,2]=4 5269 B17R2.73925 C=CCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000754431 [0,1,0,0,0,0|0,0,2]=3 5270 B17R2.73925 C=CCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000754431 [0,1,0,0,0,0|0,0,2]=3 5271 B17R2.73925 C=CCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000754431 [0,1,0,0,0,0|0,0,2]=3 5272 B17R2.73925 C=CCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000754431 [0,1,0,0,0,0|0,0,2]=3 5273 B17R2.73925 C=CCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000754431 [0,1,0,0,0,0|0,0,2]=3 5274 B17R2.73925 C=CCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000754431 [0,1,0,0,0,0|0,0,2]=3 5275 B17R2.73925 C=CCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000754431 [0,1,0,0,0,0|0,0,2]=3 5276 B17R2.73925 C=CCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000754431 [0,1,0,0,0,0|0,0,2]=3 5277 B17R2.73925 C=CCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000754431 [0,1,0,0,0,0|1,0,2]=4 5278 B17R2.73925 C=CCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000754431 [0,1,0,0,0,0|1,0,2]=4 5279 B17R2.73925 C=CCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000754431 [0,1,0,0,0,0|1,0,2]=4 5280 B17R2.73925 C=CCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000754431 [0,1,0,0,0,0|1,0,2]=4 5281 B17R2.73925 C=CCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000754431 [0,1,0,0,0,0|1,0,2]=4 5282 B17R2.73925 C=CCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000754431 [0,1,0,0,0,0|1,0,2]=4 5283 B17R2.73925 C=CCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000754431 [0,1,0,0,0,0|1,0,2]=4 5284 B17R2.73925 C=CCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000754431 [0,1,0,0,0,0|1,0,2]=4 5285 B17R2.73925 C=CCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000754431 [0,1,0,0,0,0|1,0,2]=4 5286 B17R2.73925 C=CCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000754431 [0,1,0,0,0,0|1,0,2]=4 5287 B17R2.73925 C=CCCSc1ccc2cc(ccc2c1)F 62a_100000754431_100009817052 [0,1,0,0,0,0|0,1,2]=4 5288 B17R2.73925 C=CCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000754431 [0,1,0,0,0,0|0,1,2]=4 5289 B17R2.73925 C=CCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000754431 [0,1,0,0,0,0|0,1,2]=4 5290 B17R2.73925 C=CCCSc1ccc2cc(ccc2c1)N 62a_100000754431_100000185457 [0,1,0,0,0,0|0,1,2]=4 5291 B17R2.73925 C=CCCSc1ccc2cc(ccc2c1)O 62a_100000754431_100000185455 [0,1,0,0,0,0|0,1,2]=4 5292 B17R2.73925 CC#CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000748600 [0,1,0,0,0,0|1,0,2]=4 5293 B17R2.73925 CC#CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000748600 [0,1,0,0,0,0|1,0,2]=4 5294 B17R2.73925 CC#CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000748600 [0,1,0,0,0,0|0,0,2]=3 5295 B17R2.73925 CC#CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000748600 [0,1,0,0,0,0|0,0,2]=3 5296 B17R2.73925 CC#CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000748600 [0,1,0,0,0,0|0,0,2]=3 5297 B17R2.73925 CC#CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000748600 [0,1,0,0,0,0|0,0,2]=3 5298 B17R2.73925 CC#CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000748600 [0,1,0,0,0,0|0,0,2]=3 5299 B17R2.73925 CC#CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000748600 [0,1,0,0,0,0|0,0,2]=3 5300 B17R2.73925 CC#CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000748600 [0,1,0,0,0,0|0,0,2]=3 5301 B17R2.73925 CC#CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000748600 [0,1,0,0,0,0|0,0,2]=3 5302 B17R2.73925 CC#CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000748600 [0,1,0,0,0,0|1,0,2]=4 5303 B17R2.73925 CC#CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000748600 [0,1,0,0,0,0|1,0,2]=4 5304 B17R2.73925 CC#CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000748600 [0,1,0,0,0,0|1,0,2]=4 5305 B17R2.73925 CC#CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000748600 [0,1,0,0,0,0|1,0,2]=4 5306 B17R2.73925 CC#CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000748600 [0,1,0,0,0,0|1,0,2]=4 5307 B17R2.73925 CC#CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000748600 [0,1,0,0,0,0|1,0,2]=4 5308 B17R2.73925 CC#CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000748600 [0,1,0,0,0,0|1,0,2]=4 5309 B17R2.73925 CC#CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000748600 [0,1,0,0,0,0|1,0,2]=4 5310 B17R2.73925 CC#CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000748600 [0,1,0,0,0,0|1,0,2]=4 5311 B17R2.73925 CC#CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000748600 [0,1,0,0,0,0|1,0,2]=4 5312 B17R2.73925 CC#CCSc1ccc2cc(ccc2c1)Br 62a_100000748600_100012344972 [0,1,0,0,0,0|0,1,2]=4 5313 B17R2.73925 CC#CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000748600 [0,1,0,0,0,0|0,1,2]=4 5314 B17R2.73925 CC#CCSc1ccc2cc(ccc2c1)F 62a_100000748600_100009817052 [0,1,0,0,0,0|0,1,2]=4 5315 B17R2.73925 CC#CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000748600 [0,1,0,0,0,0|0,1,2]=4 5316 B17R2.73925 CC#CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000748600 [0,1,0,0,0,0|0,1,2]=4 5317 B17R2.73925 CC#CCSc1ccc2cc(ccc2c1)N 62a_100000748600_100000185457 [0,1,0,0,0,0|0,1,2]=4 5318 B17R2.73925 CC#CCSc1ccc2cc(ccc2c1)O 62a_100000748600_100000185455 [0,1,0,0,0,0|0,1,2]=4 5319 B17R2.73925 CC=CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000070051 [0,1,0,0,0,0|1,0,2]=4 5320 B17R2.73925 CC=CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000070051 [0,1,0,0,0,0|1,0,2]=4 5321 B17R2.73925 CC=CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000070051 [0,1,0,0,0,0|0,0,2]=3 5322 B17R2.73925 CC=CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000070051 [0,1,0,0,0,0|0,0,2]=3 5323 B17R2.73925 CC=CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000070051 [0,1,0,0,0,0|0,0,2]=3 5324 B17R2.73925 CC=CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000070051 [0,1,0,0,0,0|0,0,2]=3 5325 B17R2.73925 CC=CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000070051 [0,1,0,0,0,0|0,0,2]=3 5326 B17R2.73925 CC=CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000070051 [0,1,0,0,0,0|0,0,2]=3 5327 B17R2.73925 CC=CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000070051 [0,1,0,0,0,0|0,0,2]=3 5328 B17R2.73925 CC=CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000070051 [0,1,0,0,0,0|0,0,2]=3 5329 B17R2.73925 CC=CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000070051 [0,1,0,0,0,0|1,0,2]=4 5330 B17R2.73925 CC=CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000070051 [0,1,0,0,0,0|1,0,2]=4 5331 B17R2.73925 CC=CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000070051 [0,1,0,0,0,0|1,0,2]=4 5332 B17R2.73925 CC=CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000070051 [0,1,0,0,0,0|1,0,2]=4 5333 B17R2.73925 CC=CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000070051 [0,1,0,0,0,0|1,0,2]=4 5334 B17R2.73925 CC=CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000070051 [0,1,0,0,0,0|1,0,2]=4 5335 B17R2.73925 CC=CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000070051 [0,1,0,0,0,0|1,0,2]=4 5336 B17R2.73925 CC=CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000070051 [0,1,0,0,0,0|1,0,2]=4 5337 B17R2.73925 CC=CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000070051 [0,1,0,0,0,0|1,0,2]=4 5338 B17R2.73925 CC=CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000070051 [0,1,0,0,0,0|1,0,2]=4 5339 B17R2.73925 CC=CCSc1ccc2cc(ccc2c1)F 62a_100000070051_100009817052 [0,1,0,0,0,0|0,1,2]=4 5340 B17R2.73925 CC=CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000070051 [0,1,0,0,0,0|0,1,2]=4 5341 B17R2.73925 CC=CCSc1ccc2cc(ccc2c1)N 62a_100000070051_100000185457 [0,1,0,0,0,0|0,1,2]=4 5342 B17R2.73925 CC=CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000070051 [0,1,0,0,0,0|0,1,2]=4 5343 B17R2.73925 CC=CCSc1ccc2cc(ccc2c1)O 62a_100000070051_100000185455 [0,1,0,0,0,0|0,1,2]=4 5344 B17R2.73925 CCCC=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100016258520_100011934725 [0,1,0,0,0,0|2,0,1]=4 5345 B17R2.73925 CCCC=Cc1ccc2c[n+](ccc2c1)C 271570a_100016258520_100015191232 [0,1,0,0,0,0|2,0,1]=4 5346 B17R2.73925 CCCC=Cc1ccc2cc(ccc2c1)F 271570a_100016258520_100009817052 [0,1,0,0,0,0|1,0,1]=3 5347 B17R2.73925 CCCC=Cc1ccc2cc(ccc2c1)N 271570a_100016258520_100000185457 [0,1,0,0,0,0|1,0,1]=3 5348 B17R2.73925 CCCC=Cc1ccc2cc(ccc2c1)O 271570a_100016258520_100000185455 [0,1,0,0,0,0|1,0,1]=3 5349 B17R2.73925 CCCC=Cc1ccc2cc(ccc2n1)C 271570a_100016258520_100011865911 [0,1,0,0,0,0|2,0,1]=4 5350 B17R2.73925 CCCC=Cc1ccc2cc(ccc2n1)F 271570a_100016258520_100011998705 [0,1,0,0,0,0|2,0,1]=4 5351 B17R2.73925 CCCC=Cc1ccc2cc(ccc2n1)O 271570a_100016258520_100009849208 [0,1,0,0,0,0|2,0,1]=4 5352 B17R2.73925 CCCC=Cc1ccc2cc(cnc2c1)Br 271570a_100016258520_200015509644 [0,1,0,0,0,0|2,0,1]=4 5353 B17R2.73925 CCCC=Cc1ccc2cc(cnc2c1)C 271570a_100016258520_100010751441 [0,1,0,0,0,0|2,0,1]=4 5354 B17R2.73925 CCCC=Cc1ccc2cc(cnc2c1)F 271570a_100016258520_100010751466 [0,1,0,0,0,0|2,0,1]=4 5355 B17R2.73925 CCCC=Cc1ccc2cc(cnc2c1)N 271570a_100016258520_100010142226 [0,1,0,0,0,0|2,0,1]=4 5356 B17R2.73925 CCCC=Cc1ccc2cc(ncc2c1)N 271570a_100016258520_100010232990 [0,1,0,0,0,0|2,0,1]=4 5357 B17R2.73925 CCCC=Cc1ccc2nc(ccc2c1)C 271570a_100016258520_100000686635 [0,1,0,0,0,0|2,0,1]=4 5358 B17R2.73925 CCCC=Cc1ccc2nc(ccc2c1)Cl 271570a_100016258520_200012034268 [0,1,0,0,0,0|2,0,1]=4 5359 B17R2.73925 CCCC=Cc1ccc2nc(ccc2c1)N 271570a_100016258520_100011934619 [0,1,0,0,0,0|2,0,1]=4 5360 B17R2.73925 CCCC=Cc1ccc2oc(=O)ccc2c1 271570a_100016258520_100009999946 [0,1,0,0,0,0|2,0,1]=4 5361 B17R2.73925 CCCC=Cc1cnc2cc(ccc2c1)Cl 271570a_100016258520_100015716233 [0,1,0,0,0,0|2,0,1]=4 5362 B17R2.73925 CCCC=Cc1cnc2cc(ccc2c1)N 271570a_100016258520_200010264087 [0,1,0,0,0,0|2,0,1]=4 5363 B17R2.73925 CCCC=Cc1cnc2cc(ccc2c1)O 271570a_100016258520_200010153753 [0,1,0,0,0,0|2,0,1]=4 5364 B17R2.73925 CCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210210 [0,1,0,0,0,0|1,0,0]=2 5365 B17R2.73925 CCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210211 [0,1,0,0,0,0|1,0,0]=2 5366 B17R2.73925 CCCCNc1ccc2cc(ccc2n1)C 27a_100000102301_100011865911 [0,1,0,0,0,0|2,0,0]=3 5367 B17R2.73925 CCCCNc1ccc2cc(ccc2n1)F 27a_100000102301_100011998705 [0,1,0,0,0,0|2,0,0]=3 5368 B17R2.73925 CCCCNc1ccc2cc(cnc2c1)Br 27a_100000102301_200015509644 [0,1,0,0,0,0|2,0,0]=3 5369 B17R2.73925 CCCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210210 [0,1,0,0,0,0|2,0,0]=3 5370 B17R2.73925 CCCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000210210 [0,1,0,0,0,0|2,0,0]=3 5371 B17R2.73925 CCCCNc1ccc2nc(ccc2n1)C 27a_100000102301_200009884078 [0,1,0,0,0,0|3,0,0]=4 5372 B17R2.73925 CCCCNc1ccc2nc(cnc2c1)Cl 34a_100009885871_100000210210 [0,1,0,0,0,0|3,0,0]=4 5373 B17R2.73925 CCCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210211 [0,1,0,0,0,0|2,0,0]=3 5374 B17R2.73925 CCCCNc1cnc2cc(ccc2n1)F 27a_100000102301_100000098432 [0,1,0,0,0,0|3,0,0]=4 5375 B17R2.73925 CCCCNc1cnc2cc(ccc2n1)N 27a_100000102301_100009885871 [0,1,0,0,0,0|3,0,0]=4 5376 B17R2.73925 CCCCNc1cnc2cc(ccc2n1)O 27a_100000102301_200010664160 [0,1,0,0,0,0|3,0,0]=4 5377 B17R2.73925 CCCCOc1ccc2c(c1)CCC(=O)C2 34a_100009852394_100000210210 [0,1,0,0,0,0|0,0,3]=4 5378 B17R2.73925 CCCCOc1ccc2c(c1)CCC(=O)C2 7a_100009852394_100000210211 [0,1,0,0,0,0|0,0,3]=4 5379 B17R2.73925 CCCCOc1ccc2c(c1)CCC(=O)N2 34a_100000735524_100000210210 [0,1,0,0,0,0|1,0,2]=4 5380 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210210 [0,1,0,0,0,0|0,0,0]=1 5381 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210211 [0,1,0,0,0,0|0,0,0]=1 5382 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210210 [0,1,0,0,0,0|0,0,0]=1 5383 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210211 [0,1,0,0,0,0|0,0,0]=1 5384 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210210 [0,1,0,0,0,0|0,0,0]=1 5385 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210211 [0,1,0,0,0,0|0,0,0]=1 5386 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210210 [0,1,0,0,0,0|0,0,0]=1 5387 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210211 [0,1,0,0,0,0|0,0,0]=1 5388 B17R2.73925 CCCCOc1ccc2cc(ccc2c1)O 271570a_203496583355_200011205783 [0,1,0,0,0,0|0,0,0]=1 5389 B17R2.73925 CCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210210 [0,1,0,0,0,0|1,0,0]=2 5390 B17R2.73925 CCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210211 [0,1,0,0,0,0|1,0,0]=2 5391 B17R2.73925 CCCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210210 [0,1,0,0,0,0|1,0,0]=2 5392 B17R2.73925 CCCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210211 [0,1,0,0,0,0|1,0,0]=2 5393 B17R2.73925 CCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210210 [0,1,0,0,0,0|1,0,0]=2 5394 B17R2.73925 CCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210211 [0,1,0,0,0,0|1,0,0]=2 5395 B17R2.73925 CCCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210210 [0,1,0,0,0,0|2,0,0]=3 5396 B17R2.73925 CCCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210210 [0,1,0,0,0,0|1,0,0]=2 5397 B17R2.73925 CCCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210211 [0,1,0,0,0,0|1,0,0]=2 5398 B17R2.73925 CCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210210 [0,1,0,0,0,0|1,0,0]=2 5399 B17R2.73925 CCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210211 [0,1,0,0,0,0|1,0,0]=2 5400 B17R2.73925 CCCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210211_100011934725 [0,1,0,0,0,0|1,1,0]=3 5401 B17R2.73925 CCCCSc1ccc2[nH]c(=O)cnc2c1 62a_100000210211_100010209493 [0,1,0,0,0,0|2,1,0]=4 5402 B17R2.73925 CCCCSc1ccc2c[n+](ccc2c1)C 62a_100000210211_100015191232 [0,1,0,0,0,0|1,1,0]=3 5403 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)F 62a_100000210211_100009817052 [0,1,0,0,0,0|0,1,0]=2 5404 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210210 [0,1,0,0,0,0|0,1,0]=2 5405 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210210 [0,1,0,0,0,0|0,1,0]=2 5406 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)N 62a_100000210211_100000185457 [0,1,0,0,0,0|0,1,0]=2 5407 B17R2.73925 CCCCSc1ccc2cc(ccc2c1)O 62a_100000210211_100000185455 [0,1,0,0,0,0|0,1,0]=2 5408 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)C 62a_100000210211_100011865911 [0,1,0,0,0,0|1,1,0]=3 5409 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210210 [0,1,0,0,0,0|1,1,0]=3 5410 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)F 62a_100000210211_100011998705 [0,1,0,0,0,0|1,1,0]=3 5411 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210210 [0,1,0,0,0,0|1,1,0]=3 5412 B17R2.73925 CCCCSc1ccc2cc(ccc2n1)O 62a_100000210211_100009849208 [0,1,0,0,0,0|1,1,0]=3 5413 B17R2.73925 CCCCSc1ccc2cc(cnc2c1)Br 62a_100000210211_200015509644 [0,1,0,0,0,0|1,1,0]=3 5414 B17R2.73925 CCCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000210210 [0,1,0,0,0,0|1,1,0]=3 5415 B17R2.73925 CCCCSc1ccc2cc(cnc2c1)C 62a_100000210211_100010751441 [0,1,0,0,0,0|1,1,0]=3 5416 B17R2.73925 CCCCSc1ccc2cc(cnc2c1)F 62a_100000210211_100010751466 [0,1,0,0,0,0|1,1,0]=3 5417 B17R2.73925 CCCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210210 [0,1,0,0,0,0|1,1,0]=3 5418 B17R2.73925 CCCCSc1ccc2cc(cnc2c1)N 62a_100000210211_100010142226 [0,1,0,0,0,0|1,1,0]=3 5419 B17R2.73925 CCCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000210210 [0,1,0,0,0,0|1,1,0]=3 5420 B17R2.73925 CCCCSc1ccc2cc(ncc2c1)N 62a_100000210211_100010232990 [0,1,0,0,0,0|1,1,0]=3 5421 B17R2.73925 CCCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000210210 [0,1,0,0,0,0|1,1,0]=3 5422 B17R2.73925 CCCCSc1ccc2nc(ccc2c1)C 62a_100000210211_100000686635 [0,1,0,0,0,0|1,1,0]=3 5423 B17R2.73925 CCCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000210210 [0,1,0,0,0,0|1,1,0]=3 5424 B17R2.73925 CCCCSc1ccc2nc(ccc2c1)Cl 62a_100000210211_200012034268 [0,1,0,0,0,0|1,1,0]=3 5425 B17R2.73925 CCCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210210 [0,1,0,0,0,0|1,1,0]=3 5426 B17R2.73925 CCCCSc1ccc2nc(ccc2n1)C 62a_100000210211_200009884078 [0,1,0,0,0,0|2,1,0]=4 5427 B17R2.73925 CCCCSc1ccc2nc(ncc2c1)N 62a_100000210211_100010138702 [0,1,0,0,0,0|2,1,0]=4 5428 B17R2.73925 CCCCSc1ccc2nc(ncc2c1)N 62a_100010138702_100000210210 [0,1,0,0,0,0|2,1,0]=4 5429 B17R2.73925 CCCCSc1ccc2oc(=O)ccc2c1 62a_100000210211_100009999946 [0,1,0,0,0,0|1,1,0]=3 5430 B17R2.73925 CCCCSc1cnc2cc(ccc2c1)Cl 62a_100000210211_100015716233 [0,1,0,0,0,0|1,1,0]=3 5431 B17R2.73925 CCCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000210210 [0,1,0,0,0,0|1,1,0]=3 5432 B17R2.73925 CCCCSc1cnc2cc(ccc2c1)N 62a_100000210211_200010264087 [0,1,0,0,0,0|1,1,0]=3 5433 B17R2.73925 CCCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000210210 [0,1,0,0,0,0|1,1,0]=3 5434 B17R2.73925 CCCCSc1cnc2cc(ccc2c1)O 62a_100000210211_200010153753 [0,1,0,0,0,0|1,1,0]=3 5435 B17R2.73925 CCCCSc1cnc2cc(ccc2n1)F 62a_100000098432_100000210210 [0,1,0,0,0,0|2,1,0]=4 5436 B17R2.73925 CCCCSc1cnc2cc(ccc2n1)F 62a_100000210211_100000098432 [0,1,0,0,0,0|2,1,0]=4 5437 B17R2.73925 CCCCSc1cnc2cc(ccc2n1)N 62a_100000210211_100009885871 [0,1,0,0,0,0|2,1,0]=4 5438 B17R2.73925 CCCCSc1cnc2cc(ccc2n1)O 62a_100000210211_200010664160 [0,1,0,0,0,0|2,1,0]=4 5439 B17R2.73925 CCCCSc1cnc2nc(ccc2c1)N 62a_100000210211_100010214896 [0,1,0,0,0,0|2,1,0]=4 5440 B17R2.73925 CCCCSc1cnc2nc(ccc2c1)N 62a_100010214896_100000210210 [0,1,0,0,0,0|2,1,0]=4 5441 B17R2.73925 CCCCSc1cnc2nc(ccc2c1)O 62a_100000210211_100009814606 [0,1,0,0,0,0|2,1,0]=4 5442 B17R2.73925 CCCNCc1ccc2cc(ccc2c1)Br 207a_100020643023_100012356508 [0,1,0,0,0,0|2,0,0]=3 5443 B17R2.73925 CCCNCc1ccc2cc(ccc2c1)Br 270004a_100020643023_100012356508 [0,1,0,0,0,0|2,0,0]=3 5444 B17R2.73925 CCCNCc1ccc2cc(ccc2c1)O 207a_100020643023_100000067190 [0,1,0,0,0,0|2,0,0]=3 5445 B17R2.73925 CCCNCc1ccc2cc(ccc2c1)O 270004a_100020643023_100000067190 [0,1,0,0,0,0|2,0,0]=3 5446 B17R2.73925 CCCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210303 [0,1,0,0,0,0|2,0,0]=3 5447 B17R2.73925 CCCNCc1ccc2cc(ccc2n1)Cl 207a_100020643023_100000059782 [0,1,0,0,0,0|3,0,0]=4 5448 B17R2.73925 CCCNCc1ccc2cc(ccc2n1)Cl 270004a_100020643023_100000059782 [0,1,0,0,0,0|3,0,0]=4 5449 B17R2.73925 CCCNCc1ccc2cc(ccc2n1)F 207a_100020643023_100000068074 [0,1,0,0,0,0|3,0,0]=4 5450 B17R2.73925 CCCNCc1ccc2cc(ccc2n1)F 270004a_100020643023_100000068074 [0,1,0,0,0,0|3,0,0]=4 5451 B17R2.73925 CCCNCc1ccc2cc(cnc2c1)Br 207a_100020643023_100010114372 [0,1,0,0,0,0|3,0,0]=4 5452 B17R2.73925 CCCNCc1ccc2cc(cnc2c1)Br 270004a_100020643023_100010114372 [0,1,0,0,0,0|3,0,0]=4 5453 B17R2.73925 CCCNCc1ccc2nc(ccc2c1)C 207a_100020643023_100000709793 [0,1,0,0,0,0|3,0,0]=4 5454 B17R2.73925 CCCNCc1ccc2nc(ccc2c1)C 270004a_100020643023_100000709793 [0,1,0,0,0,0|3,0,0]=4 5455 B17R2.73925 CCCNCc1ccc2nc(ccc2c1)Cl 270004a_100020643023_100000087602 [0,1,0,0,0,0|3,0,0]=4 5456 B17R2.73925 CCCNCc1ccc2oc(=O)ccc2c1 270004a_100020643023_100000036638 [0,1,0,0,0,0|3,0,0]=4 5457 B17R2.73925 CCCOCc1cc2ccc(cc2cn1)Cl 34a_100000210258_200010408301 [0,1,0,0,0,0|3,0,0]=4 5458 B17R2.73925 CCCOCc1ccc2cc(ccc2c1)Br 34a_100000210258_100012356510 [0,1,0,0,0,0|2,0,0]=3 5459 B17R2.73925 CCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000210303 [0,1,0,0,0,0|2,0,0]=3 5460 B17R2.73925 CCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000210303 [0,1,0,0,0,0|2,0,0]=3 5461 B17R2.73925 CCCOCc1ccc2cc(ccc2n1)C 34a_100000210258_100009884411 [0,1,0,0,0,0|3,0,0]=4 5462 B17R2.73925 CCCOCc1ccc2nc(ccc2c1)C 34a_100011934618_100000210303 [0,1,0,0,0,0|3,0,0]=4 5463 B17R2.73925 CCCSCc1cc2ccc(cc2cn1)Cl 62a_100000210303_200010408301 [0,1,0,0,0,0|3,0,0]=4 5464 B17R2.73925 CCCSCc1cc2ccc(cc2cn1)Cl 62a_200010408301_100000210303 [0,1,0,0,0,0|3,0,0]=4 5465 B17R2.73925 CCCSCc1ccc2cc(ccc2n1)C 62a_100000210303_100009884411 [0,1,0,0,0,0|3,0,0]=4 5466 B17R2.73925 CCCSCc1ccc2cc(ccc2n1)C 62a_100009884411_100000210303 [0,1,0,0,0,0|3,0,0]=4 5467 B17R2.73925 CCCSCc1ccc2oc(=O)ccc2c1 62a_100000210303_200010983872 [0,1,0,0,0,0|3,0,0]=4 5468 B17R2.73925 CCNN=Cc1ccc2cc(ccc2c1)Br 4a_100000756455_100012356508 [0,1,0,0,0,0|3,0,0]=4 5469 B17R2.73925 CCNN=Cc1ccc2cc(ccc2c1)O 4a_100000756455_100000067190 [0,1,0,0,0,0|3,0,0]=4 5470 B17R2.73925 CCOC=Cc1ccc2cc(ccc2c1)Br 271570a_100016256518_100012344972 [0,1,0,0,0,0|2,0,1]=4 5471 B17R2.73925 CCOC=Cc1ccc2cc(ccc2c1)F 271570a_100016256518_100009817052 [0,1,0,0,0,0|2,0,1]=4 5472 B17R2.73925 CCOC=Cc1ccc2cc(ccc2c1)N 271570a_100016256518_100000185457 [0,1,0,0,0,0|2,0,1]=4 5473 B17R2.73925 CCOC=Cc1ccc2cc(ccc2c1)O 271570a_100016256518_100000185455 [0,1,0,0,0,0|2,0,1]=4 5474 B17R2.73925 CCOCSc1ccc2[nH]c(=O)ccc2c1 62a_100000739092_100011934725 [0,1,0,0,0,0|2,1,0]=4 5475 B17R2.73925 CCOCSc1ccc2c[n+](ccc2c1)C 62a_100000739092_100015191232 [0,1,0,0,0,0|2,1,0]=4 5476 B17R2.73925 CCOCSc1ccc2cc(ccc2c1)Br 62a_100000739092_100012344972 [0,1,0,0,0,0|1,1,0]=3 5477 B17R2.73925 CCOCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000739092 [0,1,0,0,0,0|1,1,0]=3 5478 B17R2.73925 CCOCSc1ccc2cc(ccc2c1)F 62a_100000739092_100009817052 [0,1,0,0,0,0|1,1,0]=3 5479 B17R2.73925 CCOCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000739092 [0,1,0,0,0,0|1,1,0]=3 5480 B17R2.73925 CCOCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000739092 [0,1,0,0,0,0|1,1,0]=3 5481 B17R2.73925 CCOCSc1ccc2cc(ccc2c1)N 62a_100000739092_100000185457 [0,1,0,0,0,0|1,1,0]=3 5482 B17R2.73925 CCOCSc1ccc2cc(ccc2c1)O 62a_100000739092_100000185455 [0,1,0,0,0,0|1,1,0]=3 5483 B17R2.73925 CCOCSc1ccc2cc(ccc2n1)C 62a_100000739092_100011865911 [0,1,0,0,0,0|2,1,0]=4 5484 B17R2.73925 CCOCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000739092 [0,1,0,0,0,0|2,1,0]=4 5485 B17R2.73925 CCOCSc1ccc2cc(ccc2n1)F 62a_100000739092_100011998705 [0,1,0,0,0,0|2,1,0]=4 5486 B17R2.73925 CCOCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000739092 [0,1,0,0,0,0|2,1,0]=4 5487 B17R2.73925 CCOCSc1ccc2cc(ccc2n1)O 62a_100000739092_100009849208 [0,1,0,0,0,0|2,1,0]=4 5488 B17R2.73925 CCOCSc1ccc2cc(cnc2c1)Br 62a_100000739092_200015509644 [0,1,0,0,0,0|2,1,0]=4 5489 B17R2.73925 CCOCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000739092 [0,1,0,0,0,0|2,1,0]=4 5490 B17R2.73925 CCOCSc1ccc2cc(cnc2c1)C 62a_100000739092_100010751441 [0,1,0,0,0,0|2,1,0]=4 5491 B17R2.73925 CCOCSc1ccc2cc(cnc2c1)F 62a_100000739092_100010751466 [0,1,0,0,0,0|2,1,0]=4 5492 B17R2.73925 CCOCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000739092 [0,1,0,0,0,0|2,1,0]=4 5493 B17R2.73925 CCOCSc1ccc2cc(cnc2c1)N 62a_100000739092_100010142226 [0,1,0,0,0,0|2,1,0]=4 5494 B17R2.73925 CCOCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000739092 [0,1,0,0,0,0|2,1,0]=4 5495 B17R2.73925 CCOCSc1ccc2cc(ncc2c1)N 62a_100000739092_100010232990 [0,1,0,0,0,0|2,1,0]=4 5496 B17R2.73925 CCOCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000739092 [0,1,0,0,0,0|2,1,0]=4 5497 B17R2.73925 CCOCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000739092 [0,1,0,0,0,0|2,1,0]=4 5498 B17R2.73925 CCOCSc1ccc2nc(ccc2c1)C 62a_100000739092_100000686635 [0,1,0,0,0,0|2,1,0]=4 5499 B17R2.73925 CCOCSc1ccc2nc(ccc2c1)Cl 62a_100000739092_200012034268 [0,1,0,0,0,0|2,1,0]=4 5500 B17R2.73925 CCOCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000739092 [0,1,0,0,0,0|2,1,0]=4 5501 B17R2.73925 CCOCSc1ccc2oc(=O)ccc2c1 62a_100000739092_100009999946 [0,1,0,0,0,0|2,1,0]=4 5502 B17R2.73925 CCOCSc1cnc2cc(ccc2c1)Cl 62a_100000739092_100015716233 [0,1,0,0,0,0|2,1,0]=4 5503 B17R2.73925 CCOCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000739092 [0,1,0,0,0,0|2,1,0]=4 5504 B17R2.73925 CCOCSc1cnc2cc(ccc2c1)N 62a_100000739092_200010264087 [0,1,0,0,0,0|2,1,0]=4 5505 B17R2.73925 CCOCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000739092 [0,1,0,0,0,0|2,1,0]=4 5506 B17R2.73925 CCOCSc1cnc2cc(ccc2c1)O 62a_100000739092_200010153753 [0,1,0,0,0,0|2,1,0]=4 5507 B17R2.73925 COCC=Cc1ccc2cc(ccc2c1)Br 271570a_100016286323_100012344972 [0,1,0,0,0,0|2,0,1]=4 5508 B17R2.73925 COCC=Cc1ccc2cc(ccc2c1)F 271570a_100016286323_100009817052 [0,1,0,0,0,0|2,0,1]=4 5509 B17R2.73925 COCC=Cc1ccc2cc(ccc2c1)N 271570a_100016286323_100000185457 [0,1,0,0,0,0|2,0,1]=4 5510 B17R2.73925 COCC=Cc1ccc2cc(ccc2c1)O 271570a_100016286323_100000185455 [0,1,0,0,0,0|2,0,1]=4 5511 B17R2.73925 COCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011201679 [0,1,0,0,0,0|2,0,0]=3 5512 B17R2.73925 COCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000233755 [0,1,0,0,0,0|2,0,0]=3 5513 B17R2.73925 COCCNc1ccc2cc(ccc2n1)C 27a_100000209980_100011865911 [0,1,0,0,0,0|3,0,0]=4 5514 B17R2.73925 COCCNc1ccc2cc(ccc2n1)F 27a_100000209980_100011998705 [0,1,0,0,0,0|3,0,0]=4 5515 B17R2.73925 COCCNc1ccc2cc(cnc2c1)Br 27a_100000209980_200015509644 [0,1,0,0,0,0|3,0,0]=4 5516 B17R2.73925 COCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100011201679 [0,1,0,0,0,0|3,0,0]=4 5517 B17R2.73925 COCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100011201679 [0,1,0,0,0,0|3,0,0]=4 5518 B17R2.73925 COCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000233755 [0,1,0,0,0,0|3,0,0]=4 5519 B17R2.73925 COCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011201679 [0,1,0,0,0,0|1,0,0]=2 5520 B17R2.73925 COCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000233755 [0,1,0,0,0,0|1,0,0]=2 5521 B17R2.73925 COCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100011201679 [0,1,0,0,0,0|1,0,0]=2 5522 B17R2.73925 COCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000233755 [0,1,0,0,0,0|1,0,0]=2 5523 B17R2.73925 COCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011201679 [0,1,0,0,0,0|1,0,0]=2 5524 B17R2.73925 COCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000233755 [0,1,0,0,0,0|1,0,0]=2 5525 B17R2.73925 COCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011201679 [0,1,0,0,0,0|1,0,0]=2 5526 B17R2.73925 COCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000233755 [0,1,0,0,0,0|1,0,0]=2 5527 B17R2.73925 COCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100011201679 [0,1,0,0,0,0|2,0,0]=3 5528 B17R2.73925 COCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000233755 [0,1,0,0,0,0|2,0,0]=3 5529 B17R2.73925 COCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100011201679 [0,1,0,0,0,0|2,0,0]=3 5530 B17R2.73925 COCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000233755 [0,1,0,0,0,0|2,0,0]=3 5531 B17R2.73925 COCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011201679 [0,1,0,0,0,0|2,0,0]=3 5532 B17R2.73925 COCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000233755 [0,1,0,0,0,0|2,0,0]=3 5533 B17R2.73925 COCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100011201679 [0,1,0,0,0,0|3,0,0]=4 5534 B17R2.73925 COCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100011201679 [0,1,0,0,0,0|2,0,0]=3 5535 B17R2.73925 COCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000233755 [0,1,0,0,0,0|2,0,0]=3 5536 B17R2.73925 COCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100011201679 [0,1,0,0,0,0|2,0,0]=3 5537 B17R2.73925 COCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000233755 [0,1,0,0,0,0|2,0,0]=3 5538 B17R2.73925 COCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000233755_100011934725 [0,1,0,0,0,0|2,1,0]=4 5539 B17R2.73925 COCCSc1ccc2c[n+](ccc2c1)C 62a_100000233755_100015191232 [0,1,0,0,0,0|2,1,0]=4 5540 B17R2.73925 COCCSc1ccc2cc(ccc2c1)Br 62a_100000233755_100012344972 [0,1,0,0,0,0|1,1,0]=3 5541 B17R2.73925 COCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000233755 [0,1,0,0,0,0|1,1,0]=3 5542 B17R2.73925 COCCSc1ccc2cc(ccc2c1)F 62a_100000233755_100009817052 [0,1,0,0,0,0|1,1,0]=3 5543 B17R2.73925 COCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000233755 [0,1,0,0,0,0|1,1,0]=3 5544 B17R2.73925 COCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000233755 [0,1,0,0,0,0|1,1,0]=3 5545 B17R2.73925 COCCSc1ccc2cc(ccc2c1)N 62a_100000233755_100000185457 [0,1,0,0,0,0|1,1,0]=3 5546 B17R2.73925 COCCSc1ccc2cc(ccc2c1)O 62a_100000233755_100000185455 [0,1,0,0,0,0|1,1,0]=3 5547 B17R2.73925 COCCSc1ccc2cc(ccc2n1)C 62a_100000233755_100011865911 [0,1,0,0,0,0|2,1,0]=4 5548 B17R2.73925 COCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000233755 [0,1,0,0,0,0|2,1,0]=4 5549 B17R2.73925 COCCSc1ccc2cc(ccc2n1)F 62a_100000233755_100011998705 [0,1,0,0,0,0|2,1,0]=4 5550 B17R2.73925 COCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000233755 [0,1,0,0,0,0|2,1,0]=4 5551 B17R2.73925 COCCSc1ccc2cc(ccc2n1)O 62a_100000233755_100009849208 [0,1,0,0,0,0|2,1,0]=4 5552 B17R2.73925 COCCSc1ccc2cc(cnc2c1)Br 62a_100000233755_200015509644 [0,1,0,0,0,0|2,1,0]=4 5553 B17R2.73925 COCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000233755 [0,1,0,0,0,0|2,1,0]=4 5554 B17R2.73925 COCCSc1ccc2cc(cnc2c1)C 62a_100000233755_100010751441 [0,1,0,0,0,0|2,1,0]=4 5555 B17R2.73925 COCCSc1ccc2cc(cnc2c1)F 62a_100000233755_100010751466 [0,1,0,0,0,0|2,1,0]=4 5556 B17R2.73925 COCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000233755 [0,1,0,0,0,0|2,1,0]=4 5557 B17R2.73925 COCCSc1ccc2cc(cnc2c1)N 62a_100000233755_100010142226 [0,1,0,0,0,0|2,1,0]=4 5558 B17R2.73925 COCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000233755 [0,1,0,0,0,0|2,1,0]=4 5559 B17R2.73925 COCCSc1ccc2cc(ncc2c1)N 62a_100000233755_100010232990 [0,1,0,0,0,0|2,1,0]=4 5560 B17R2.73925 COCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000233755 [0,1,0,0,0,0|2,1,0]=4 5561 B17R2.73925 COCCSc1ccc2nc(ccc2c1)C 62a_100000233755_100000686635 [0,1,0,0,0,0|2,1,0]=4 5562 B17R2.73925 COCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000233755 [0,1,0,0,0,0|2,1,0]=4 5563 B17R2.73925 COCCSc1ccc2nc(ccc2c1)Cl 62a_100000233755_200012034268 [0,1,0,0,0,0|2,1,0]=4 5564 B17R2.73925 COCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000233755 [0,1,0,0,0,0|2,1,0]=4 5565 B17R2.73925 COCCSc1ccc2oc(=O)ccc2c1 62a_100000233755_100009999946 [0,1,0,0,0,0|2,1,0]=4 5566 B17R2.73925 COCCSc1cnc2cc(ccc2c1)Cl 62a_100000233755_100015716233 [0,1,0,0,0,0|2,1,0]=4 5567 B17R2.73925 COCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000233755 [0,1,0,0,0,0|2,1,0]=4 5568 B17R2.73925 COCCSc1cnc2cc(ccc2c1)N 62a_100000233755_200010264087 [0,1,0,0,0,0|2,1,0]=4 5569 B17R2.73925 COCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000233755 [0,1,0,0,0,0|2,1,0]=4 5570 B17R2.73925 COCCSc1cnc2cc(ccc2c1)O 62a_100000233755_200010153753 [0,1,0,0,0,0|2,1,0]=4 5571 B17R2.73925 COCSCc1ccc2cc(ccc2c1)Br 62a_100000766300_100012356510 [0,1,0,0,0,0|3,0,0]=4 5572 B17R2.73925 COCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100000766300 [0,1,0,0,0,0|3,0,0]=4 5573 B17R2.73925 CSCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000212216 [0,1,0,0,0,0|2,0,0]=3 5574 B17R2.73925 CSCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000212216 [0,1,0,0,0,0|2,0,0]=3 5575 B17R2.73925 CSCCNc1ccc2cc(ccc2n1)C 27a_100020590264_100011865911 [0,1,0,0,0,0|3,0,0]=4 5576 B17R2.73925 CSCCNc1ccc2cc(ccc2n1)F 27a_100020590264_100011998705 [0,1,0,0,0,0|3,0,0]=4 5577 B17R2.73925 CSCCNc1ccc2cc(cnc2c1)Br 27a_100020590264_200015509644 [0,1,0,0,0,0|3,0,0]=4 5578 B17R2.73925 CSCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000212216 [0,1,0,0,0,0|3,0,0]=4 5579 B17R2.73925 CSCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000212216 [0,1,0,0,0,0|3,0,0]=4 5580 B17R2.73925 CSCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000212216 [0,1,0,0,0,0|3,0,0]=4 5581 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000212216 [0,1,0,0,0,0|1,0,0]=2 5582 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000212216 [0,1,0,0,0,0|1,0,0]=2 5583 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000212216 [0,1,0,0,0,0|1,0,0]=2 5584 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000212216 [0,1,0,0,0,0|1,0,0]=2 5585 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000212216 [0,1,0,0,0,0|1,0,0]=2 5586 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000212216 [0,1,0,0,0,0|1,0,0]=2 5587 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000212216 [0,1,0,0,0,0|1,0,0]=2 5588 B17R2.73925 CSCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000212216 [0,1,0,0,0,0|1,0,0]=2 5589 B17R2.73925 CSCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000212216 [0,1,0,0,0,0|2,0,0]=3 5590 B17R2.73925 CSCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000212216 [0,1,0,0,0,0|2,0,0]=3 5591 B17R2.73925 CSCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000212216 [0,1,0,0,0,0|2,0,0]=3 5592 B17R2.73925 CSCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000212216 [0,1,0,0,0,0|2,0,0]=3 5593 B17R2.73925 CSCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000212216 [0,1,0,0,0,0|2,0,0]=3 5594 B17R2.73925 CSCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000212216 [0,1,0,0,0,0|2,0,0]=3 5595 B17R2.73925 CSCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000212216 [0,1,0,0,0,0|3,0,0]=4 5596 B17R2.73925 CSCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000212216 [0,1,0,0,0,0|2,0,0]=3 5597 B17R2.73925 CSCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000212216 [0,1,0,0,0,0|2,0,0]=3 5598 B17R2.73925 CSCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000212216 [0,1,0,0,0,0|2,0,0]=3 5599 B17R2.73925 CSCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000212216 [0,1,0,0,0,0|2,0,0]=3 5600 B17R2.73925 CSCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000212216_100011934725 [0,1,0,0,0,0|2,1,0]=4 5601 B17R2.73925 CSCCSc1ccc2c[n+](ccc2c1)C 62a_100000212216_100015191232 [0,1,0,0,0,0|2,1,0]=4 5602 B17R2.73925 CSCCSc1ccc2cc(ccc2c1)F 62a_100000212216_100009817052 [0,1,0,0,0,0|1,1,0]=3 5603 B17R2.73925 CSCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000751147 [0,1,0,0,0,0|1,1,0]=3 5604 B17R2.73925 CSCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000751147 [0,1,0,0,0,0|1,1,0]=3 5605 B17R2.73925 CSCCSc1ccc2cc(ccc2c1)N 62a_100000212216_100000185457 [0,1,0,0,0,0|1,1,0]=3 5606 B17R2.73925 CSCCSc1ccc2cc(ccc2c1)O 62a_100000212216_100000185455 [0,1,0,0,0,0|1,1,0]=3 5607 B17R2.73925 CSCCSc1ccc2cc(ccc2n1)C 62a_100000212216_100011865911 [0,1,0,0,0,0|2,1,0]=4 5608 B17R2.73925 CSCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000751147 [0,1,0,0,0,0|2,1,0]=4 5609 B17R2.73925 CSCCSc1ccc2cc(ccc2n1)F 62a_100000212216_100011998705 [0,1,0,0,0,0|2,1,0]=4 5610 B17R2.73925 CSCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000751147 [0,1,0,0,0,0|2,1,0]=4 5611 B17R2.73925 CSCCSc1ccc2cc(ccc2n1)O 62a_100000212216_100009849208 [0,1,0,0,0,0|2,1,0]=4 5612 B17R2.73925 CSCCSc1ccc2cc(cnc2c1)Br 62a_100000212216_200015509644 [0,1,0,0,0,0|2,1,0]=4 5613 B17R2.73925 CSCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000751147 [0,1,0,0,0,0|2,1,0]=4 5614 B17R2.73925 CSCCSc1ccc2cc(cnc2c1)C 62a_100000212216_100010751441 [0,1,0,0,0,0|2,1,0]=4 5615 B17R2.73925 CSCCSc1ccc2cc(cnc2c1)F 62a_100000212216_100010751466 [0,1,0,0,0,0|2,1,0]=4 5616 B17R2.73925 CSCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000751147 [0,1,0,0,0,0|2,1,0]=4 5617 B17R2.73925 CSCCSc1ccc2cc(cnc2c1)N 62a_100000212216_100010142226 [0,1,0,0,0,0|2,1,0]=4 5618 B17R2.73925 CSCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000751147 [0,1,0,0,0,0|2,1,0]=4 5619 B17R2.73925 CSCCSc1ccc2cc(ncc2c1)N 62a_100000212216_100010232990 [0,1,0,0,0,0|2,1,0]=4 5620 B17R2.73925 CSCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000751147 [0,1,0,0,0,0|2,1,0]=4 5621 B17R2.73925 CSCCSc1ccc2nc(ccc2c1)C 62a_100000212216_100000686635 [0,1,0,0,0,0|2,1,0]=4 5622 B17R2.73925 CSCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000751147 [0,1,0,0,0,0|2,1,0]=4 5623 B17R2.73925 CSCCSc1ccc2nc(ccc2c1)Cl 62a_100000212216_200012034268 [0,1,0,0,0,0|2,1,0]=4 5624 B17R2.73925 CSCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000751147 [0,1,0,0,0,0|2,1,0]=4 5625 B17R2.73925 CSCCSc1ccc2oc(=O)ccc2c1 62a_100000212216_100009999946 [0,1,0,0,0,0|2,1,0]=4 5626 B17R2.73925 CSCCSc1cnc2cc(ccc2c1)Cl 62a_100000212216_100015716233 [0,1,0,0,0,0|2,1,0]=4 5627 B17R2.73925 CSCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000751147 [0,1,0,0,0,0|2,1,0]=4 5628 B17R2.73925 CSCCSc1cnc2cc(ccc2c1)N 62a_100000212216_200010264087 [0,1,0,0,0,0|2,1,0]=4 5629 B17R2.73925 CSCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000751147 [0,1,0,0,0,0|2,1,0]=4 5630 B17R2.73925 CSCCSc1cnc2cc(ccc2c1)O 62a_100000212216_200010153753 [0,1,0,0,0,0|2,1,0]=4 5631 B17R2.73925 CSCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100011218213 [0,1,0,0,0,0|3,0,0]=4 5632 B17R2.73925 CSCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100011218213 [0,1,0,0,0,0|3,0,0]=4 5633 B17R2.73925 C[n+]1ccc2cc(ccc2c1)SCCCF 62a_100011934791_100015191232 [0,1,0,0,0,0|2,1,0]=4 5634 B17R2.73925 C[n+]1ccc2cc(ccc2c1)SCCCO 62a_100011215043_100015191232 [0,1,0,0,0,0|2,1,0]=4 5635 B17R2.73925 Cc1ccc2cc(ccc2c1)OCCC#N 7a_100000074090_100000184422 [0,1,0,0,0,0|1,0,1]=3 5636 B17R2.73925 Cc1ccc2cc(ccc2c1)OCCCF 34a_100000074090_100011934791 [0,1,0,0,0,0|1,0,0]=2 5637 B17R2.73925 Cc1ccc2cc(ccc2c1)OCCCF 7a_100000074090_100011934791 [0,1,0,0,0,0|1,0,0]=2 5638 B17R2.73925 Cc1ccc2cc(ccc2c1)OCCCO 34a_100000074090_100000230001 [0,1,0,0,0,0|1,0,0]=2 5639 B17R2.73925 Cc1ccc2cc(ccc2c1)OCCCO 7a_100000074090_100011215043 [0,1,0,0,0,0|1,0,0]=2 5640 B17R2.73925 Cc1ccc2cc(ccc2n1)NCCCF 34a_100011216442_100011934791 [0,1,0,0,0,0|3,0,0]=4 5641 B17R2.73925 Cc1ccc2cc(ccc2n1)NCCCO 34a_100011216442_100000230001 [0,1,0,0,0,0|3,0,0]=4 5642 B17R2.73925 Cc1ccc2cc(ccc2n1)OCCC#N 7a_100000037634_100000184422 [0,1,0,0,0,0|2,0,1]=4 5643 B17R2.73925 Cc1ccc2cc(ccc2n1)OCCCF 34a_100000037634_100011934791 [0,1,0,0,0,0|2,0,0]=3 5644 B17R2.73925 Cc1ccc2cc(ccc2n1)OCCCF 7a_100000037634_100011934791 [0,1,0,0,0,0|2,0,0]=3 5645 B17R2.73925 Cc1ccc2cc(ccc2n1)OCCCO 34a_100000037634_100000230001 [0,1,0,0,0,0|2,0,0]=3 5646 B17R2.73925 Cc1ccc2cc(ccc2n1)OCCCO 7a_100000037634_100011215043 [0,1,0,0,0,0|2,0,0]=3 5647 B17R2.73925 Cc1ccc2cc(ccc2n1)SCCCF 62a_100000686635_100011934791 [0,1,0,0,0,0|2,1,0]=4 5648 B17R2.73925 Cc1ccc2cc(ccc2n1)SCCCF 62a_100011934791_100000686635 [0,1,0,0,0,0|2,1,0]=4 5649 B17R2.73925 Cc1ccc2cc(ccc2n1)SCCCO 62a_100000686635_100011215043 [0,1,0,0,0,0|2,1,0]=4 5650 B17R2.73925 Cc1ccc2cc(ccc2n1)SCCCO 62a_100011215043_100000686635 [0,1,0,0,0,0|2,1,0]=4 5651 B17R2.73925 Cc1ccc2nc(ccc2c1)NCCCF 27a_100015189416_100011865911 [0,1,0,0,0,0|3,0,0]=4 5652 B17R2.73925 Cc1ccc2nc(ccc2c1)NCCCO 27a_100000182051_100011865911 [0,1,0,0,0,0|3,0,0]=4 5653 B17R2.73925 Cc1ccc2nc(ccc2c1)SCCCF 62a_100011934791_100011865911 [0,1,0,0,0,0|2,1,0]=4 5654 B17R2.73925 Cc1ccc2nc(ccc2c1)SCCCF 62a_200000181977_100011934791 [0,1,0,0,0,0|2,1,0]=4 5655 B17R2.73925 Cc1ccc2nc(ccc2c1)SCCCO 62a_100011215043_100011865911 [0,1,0,0,0,0|2,1,0]=4 5656 B17R2.73925 Cc1ccc2nc(ccc2c1)SCCCO 62a_200000181977_100011215043 [0,1,0,0,0,0|2,1,0]=4 5657 B17R2.73925 Cc1cnc2cc(ccc2c1)SCCCF 62a_100011934791_100010751441 [0,1,0,0,0,0|2,1,0]=4 5658 B17R2.73925 Cc1cnc2cc(ccc2c1)SCCCO 62a_100011215043_100010751441 [0,1,0,0,0,0|2,1,0]=4 5659 B17R2.73925 FCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011934791 [0,1,0,0,0,0|2,0,0]=3 5660 B17R2.73925 FCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011934791 [0,1,0,0,0,0|2,0,0]=3 5661 B17R2.73925 FCCCNc1ccc2cc(ccc2n1)F 27a_100015189416_100011998705 [0,1,0,0,0,0|3,0,0]=4 5662 B17R2.73925 FCCCNc1ccc2cc(cnc2c1)Br 27a_100015189416_200015509644 [0,1,0,0,0,0|3,0,0]=4 5663 B17R2.73925 FCCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100011934791 [0,1,0,0,0,0|3,0,0]=4 5664 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011934791 [0,1,0,0,0,0|1,0,0]=2 5665 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011934791 [0,1,0,0,0,0|1,0,0]=2 5666 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011934791 [0,1,0,0,0,0|1,0,0]=2 5667 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011934791 [0,1,0,0,0,0|1,0,0]=2 5668 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011934791 [0,1,0,0,0,0|1,0,0]=2 5669 B17R2.73925 FCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011934791 [0,1,0,0,0,0|1,0,0]=2 5670 B17R2.73925 FCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100011934791 [0,1,0,0,0,0|2,0,0]=3 5671 B17R2.73925 FCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100011934791 [0,1,0,0,0,0|2,0,0]=3 5672 B17R2.73925 FCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011934791 [0,1,0,0,0,0|2,0,0]=3 5673 B17R2.73925 FCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011934791 [0,1,0,0,0,0|2,0,0]=3 5674 B17R2.73925 FCCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100011934791 [0,1,0,0,0,0|3,0,0]=4 5675 B17R2.73925 FCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100011934791 [0,1,0,0,0,0|2,0,0]=3 5676 B17R2.73925 FCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100011934791 [0,1,0,0,0,0|2,0,0]=3 5677 B17R2.73925 FCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011934791 [0,1,0,0,0,0|1,1,0]=3 5678 B17R2.73925 FCCCSc1ccc2cc(ccc2c1)F 62a_100011934791_100009817052 [0,1,0,0,0,0|1,1,0]=3 5679 B17R2.73925 FCCCSc1ccc2cc(ccc2n1)F 62a_100011934791_100011998705 [0,1,0,0,0,0|2,1,0]=4 5680 B17R2.73925 FCCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100011934791 [0,1,0,0,0,0|2,1,0]=4 5681 B17R2.73925 FCCCSc1ccc2cc(cnc2c1)Br 62a_100011934791_200015509644 [0,1,0,0,0,0|2,1,0]=4 5682 B17R2.73925 FCCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100011934791 [0,1,0,0,0,0|2,1,0]=4 5683 B17R2.73925 FCCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100011934791 [0,1,0,0,0,0|2,1,0]=4 5684 B17R2.73925 FCCCSc1ccc2cc(cnc2c1)F 62a_100011934791_100010751466 [0,1,0,0,0,0|2,1,0]=4 5685 B17R2.73925 FCCCSc1ccc2nc(ccc2c1)Cl 62a_100011934791_200012034268 [0,1,0,0,0,0|2,1,0]=4 5686 B17R2.73925 FCCCSc1cnc2cc(ccc2c1)Cl 62a_100011934791_100015716233 [0,1,0,0,0,0|2,1,0]=4 5687 B17R2.73925 FCCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100011934791 [0,1,0,0,0,0|2,1,0]=4 5688 B17R2.73925 FCCNCc1ccc2cc(ccc2c1)Br 34a_100000724931_100012356510 [0,1,0,0,0,0|3,0,0]=4 5689 B17R2.73925 FCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100011217306 [0,1,0,0,0,0|3,0,0]=4 5690 B17R2.73925 FCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100011217306 [0,1,0,0,0,0|3,0,0]=4 5691 B17R2.73925 FCCSCc1ccc2cc(ccc2c1)Br 62a_100011217306_100012356510 [0,1,0,0,0,0|3,0,0]=4 5692 B17R2.73925 FCCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100011217306 [0,1,0,0,0,0|3,0,0]=4 5693 B17R2.73925 N#CCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000184422 [0,1,0,0,0,0|2,0,1]=4 5694 B17R2.73925 N#CCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000184422 [0,1,0,0,0,0|1,0,1]=3 5695 B17R2.73925 N#CCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000184422 [0,1,0,0,0,0|1,0,1]=3 5696 B17R2.73925 N#CCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000184422 [0,1,0,0,0,0|1,0,1]=3 5697 B17R2.73925 N#CCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000184422 [0,1,0,0,0,0|2,0,1]=4 5698 B17R2.73925 N#CCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000184422 [0,1,0,0,0,0|2,0,1]=4 5699 B17R2.73925 N#CCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000184422 [0,1,0,0,0,0|2,0,1]=4 5700 B17R2.73925 N#CCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000184422 [0,1,0,0,0,0|2,0,1]=4 5701 B17R2.73925 N#CCCSc1ccc2cc(ccc2c1)Br 62a_100011215226_100012344972 [0,1,0,0,0,0|1,1,1]=4 5702 B17R2.73925 N#CCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011215226 [0,1,0,0,0,0|1,1,1]=4 5703 B17R2.73925 N#CCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011215226 [0,1,0,0,0,0|1,1,1]=4 5704 B17R2.73925 N#CCCSc1ccc2cc(ccc2c1)F 62a_100011215226_100009817052 [0,1,0,0,0,0|1,1,1]=4 5705 B17R2.73925 N#CCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100011215226 [0,1,0,0,0,0|1,1,1]=4 5706 B17R2.73925 N#CCCSc1ccc2cc(ccc2c1)N 62a_100011215226_100000185457 [0,1,0,0,0,0|1,1,1]=4 5707 B17R2.73925 N#CCCSc1ccc2cc(ccc2c1)O 62a_100011215226_100000185455 [0,1,0,0,0,0|1,1,1]=4 5708 B17R2.73925 NCCOCc1ccc2cc(ccc2c1)Br 34a_100000210304_100012356510 [0,1,0,0,0,0|3,0,0]=4 5709 B17R2.73925 Nc1cc2ccc(cc2cn1)SCCCF 62a_100010232990_100011934791 [0,1,0,0,0,0|2,1,0]=4 5710 B17R2.73925 Nc1cc2ccc(cc2cn1)SCCCF 62a_100011934791_100010232990 [0,1,0,0,0,0|2,1,0]=4 5711 B17R2.73925 Nc1cc2ccc(cc2cn1)SCCCO 62a_100010232990_100011215043 [0,1,0,0,0,0|2,1,0]=4 5712 B17R2.73925 Nc1cc2ccc(cc2cn1)SCCCO 62a_100011215043_100010232990 [0,1,0,0,0,0|2,1,0]=4 5713 B17R2.73925 Nc1ccc2cc(ccc2c1)SCCCF 62a_100000185457_100011934791 [0,1,0,0,0,0|1,1,0]=3 5714 B17R2.73925 Nc1ccc2cc(ccc2c1)SCCCF 62a_100011934791_100000185457 [0,1,0,0,0,0|1,1,0]=3 5715 B17R2.73925 Nc1ccc2cc(ccc2c1)SCCCO 62a_100000185457_100011215043 [0,1,0,0,0,0|1,1,0]=3 5716 B17R2.73925 Nc1ccc2cc(ccc2c1)SCCCO 62a_100011215043_100000185457 [0,1,0,0,0,0|1,1,0]=3 5717 B17R2.73925 Nc1ccc2cc(ccc2n1)SCCCF 62a_100011934619_100011934791 [0,1,0,0,0,0|2,1,0]=4 5718 B17R2.73925 Nc1ccc2cc(ccc2n1)SCCCO 62a_100011934619_100011215043 [0,1,0,0,0,0|2,1,0]=4 5719 B17R2.73925 Nc1ccc2cc(cnc2c1)SCCCF 62a_100011934791_200010264087 [0,1,0,0,0,0|2,1,0]=4 5720 B17R2.73925 Nc1ccc2cc(cnc2c1)SCCCF 62a_200010264087_100011934791 [0,1,0,0,0,0|2,1,0]=4 5721 B17R2.73925 Nc1ccc2cc(cnc2c1)SCCCO 62a_100011215043_200010264087 [0,1,0,0,0,0|2,1,0]=4 5722 B17R2.73925 Nc1ccc2cc(cnc2c1)SCCCO 62a_200010264087_100011215043 [0,1,0,0,0,0|2,1,0]=4 5723 B17R2.73925 Nc1cnc2cc(ccc2c1)SCCCF 62a_100010142226_100011934791 [0,1,0,0,0,0|2,1,0]=4 5724 B17R2.73925 Nc1cnc2cc(ccc2c1)SCCCF 62a_100011934791_100010142226 [0,1,0,0,0,0|2,1,0]=4 5725 B17R2.73925 Nc1cnc2cc(ccc2c1)SCCCO 62a_100010142226_100011215043 [0,1,0,0,0,0|2,1,0]=4 5726 B17R2.73925 Nc1cnc2cc(ccc2c1)SCCCO 62a_100011215043_100010142226 [0,1,0,0,0,0|2,1,0]=4 5727 B17R2.73925 O=c1ccc2cc(ccc2[nH]1)SCCCF 62a_100011934791_100011934725 [0,1,0,0,0,0|2,1,0]=4 5728 B17R2.73925 O=c1ccc2cc(ccc2[nH]1)SCCCO 62a_100011215043_100011934725 [0,1,0,0,0,0|2,1,0]=4 5729 B17R2.73925 O=c1ccc2cc(ccc2o1)NCCCF 7a_100000008519_100011934791 [0,1,0,0,0,0|3,0,0]=4 5730 B17R2.73925 O=c1ccc2cc(ccc2o1)NCCCO 7a_100000008519_100011215043 [0,1,0,0,0,0|3,0,0]=4 5731 B17R2.73925 O=c1ccc2cc(ccc2o1)OCCCF 34a_100000066265_100011934791 [0,1,0,0,0,0|2,0,0]=3 5732 B17R2.73925 O=c1ccc2cc(ccc2o1)OCCCF 7a_100000066265_100011934791 [0,1,0,0,0,0|2,0,0]=3 5733 B17R2.73925 O=c1ccc2cc(ccc2o1)OCCCO 34a_100000066265_100000230001 [0,1,0,0,0,0|2,0,0]=3 5734 B17R2.73925 O=c1ccc2cc(ccc2o1)OCCCO 7a_100000066265_100011215043 [0,1,0,0,0,0|2,0,0]=3 5735 B17R2.73925 O=c1ccc2cc(ccc2o1)SCCCF 62a_100011934791_100009999946 [0,1,0,0,0,0|2,1,0]=4 5736 B17R2.73925 O=c1ccc2cc(ccc2o1)SCCCO 62a_100011215043_100009999946 [0,1,0,0,0,0|2,1,0]=4 5737 B17R2.73925 OCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000230001 [0,1,0,0,0,0|2,0,0]=3 5738 B17R2.73925 OCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011215043 [0,1,0,0,0,0|2,0,0]=3 5739 B17R2.73925 OCCCNc1ccc2cc(ccc2n1)F 27a_100000182051_100011998705 [0,1,0,0,0,0|3,0,0]=4 5740 B17R2.73925 OCCCNc1ccc2cc(cnc2c1)Br 27a_100000182051_200015509644 [0,1,0,0,0,0|3,0,0]=4 5741 B17R2.73925 OCCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000230001 [0,1,0,0,0,0|3,0,0]=4 5742 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000230001 [0,1,0,0,0,0|1,0,0]=2 5743 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011215043 [0,1,0,0,0,0|1,0,0]=2 5744 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000230001 [0,1,0,0,0,0|1,0,0]=2 5745 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011215043 [0,1,0,0,0,0|1,0,0]=2 5746 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000230001 [0,1,0,0,0,0|1,0,0]=2 5747 B17R2.73925 OCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011215043 [0,1,0,0,0,0|1,0,0]=2 5748 B17R2.73925 OCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000230001 [0,1,0,0,0,0|2,0,0]=3 5749 B17R2.73925 OCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100011215043 [0,1,0,0,0,0|2,0,0]=3 5750 B17R2.73925 OCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000230001 [0,1,0,0,0,0|2,0,0]=3 5751 B17R2.73925 OCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011215043 [0,1,0,0,0,0|2,0,0]=3 5752 B17R2.73925 OCCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000230001 [0,1,0,0,0,0|3,0,0]=4 5753 B17R2.73925 OCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000230001 [0,1,0,0,0,0|2,0,0]=3 5754 B17R2.73925 OCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100011215043 [0,1,0,0,0,0|2,0,0]=3 5755 B17R2.73925 OCCCSc1ccc2cc(ccc2c1)Br 62a_100011215043_100012344972 [0,1,0,0,0,0|1,1,0]=3 5756 B17R2.73925 OCCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011215043 [0,1,0,0,0,0|1,1,0]=3 5757 B17R2.73925 OCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011215043 [0,1,0,0,0,0|1,1,0]=3 5758 B17R2.73925 OCCCSc1ccc2cc(ccc2c1)F 62a_100011215043_100009817052 [0,1,0,0,0,0|1,1,0]=3 5759 B17R2.73925 OCCCSc1ccc2cc(ccc2c1)O 62a_100011215043_100000185455 [0,1,0,0,0,0|1,1,0]=3 5760 B17R2.73925 OCCCSc1ccc2cc(ccc2n1)F 62a_100011215043_100011998705 [0,1,0,0,0,0|2,1,0]=4 5761 B17R2.73925 OCCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100011215043 [0,1,0,0,0,0|2,1,0]=4 5762 B17R2.73925 OCCCSc1ccc2cc(ccc2n1)O 62a_100011215043_100009849208 [0,1,0,0,0,0|2,1,0]=4 5763 B17R2.73925 OCCCSc1ccc2cc(cnc2c1)Br 62a_100011215043_200015509644 [0,1,0,0,0,0|2,1,0]=4 5764 B17R2.73925 OCCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100011215043 [0,1,0,0,0,0|2,1,0]=4 5765 B17R2.73925 OCCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100011215043 [0,1,0,0,0,0|2,1,0]=4 5766 B17R2.73925 OCCCSc1ccc2cc(cnc2c1)F 62a_100011215043_100010751466 [0,1,0,0,0,0|2,1,0]=4 5767 B17R2.73925 OCCCSc1ccc2nc(ccc2c1)Cl 62a_100011215043_200012034268 [0,1,0,0,0,0|2,1,0]=4 5768 B17R2.73925 OCCCSc1cnc2cc(ccc2c1)Cl 62a_100011215043_100015716233 [0,1,0,0,0,0|2,1,0]=4 5769 B17R2.73925 OCCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100011215043 [0,1,0,0,0,0|2,1,0]=4 5770 B17R2.73925 OCCCSc1cnc2cc(ccc2c1)O 62a_100011215043_200010153753 [0,1,0,0,0,0|2,1,0]=4 5771 B17R2.73925 OCCNCc1ccc2cc(ccc2c1)Br 207a_100000210304_100012356508 [0,1,0,0,0,0|3,0,0]=4 5772 B17R2.73925 OCCNCc1ccc2cc(ccc2c1)Br 2230a_100016997473_100012356510 [0,1,0,0,0,0|3,0,0]=4 5773 B17R2.73925 OCCNCc1ccc2cc(ccc2c1)Br 270004a_100000210304_100012356508 [0,1,0,0,0,0|3,0,0]=4 5774 B17R2.73925 OCCNCc1ccc2cc(ccc2c1)Br 34a_100016990907_100012356510 [0,1,0,0,0,0|3,0,0]=4 5775 B17R2.73925 OCCNCc1ccc2cc(ccc2c1)O 207a_100000210304_100000067190 [0,1,0,0,0,0|3,0,0]=4 5776 B17R2.73925 OCCNCc1ccc2cc(ccc2c1)O 270004a_100000210304_100000067190 [0,1,0,0,0,0|3,0,0]=4 5777 B17R2.73925 OCCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000211926 [0,1,0,0,0,0|3,0,0]=4 5778 B17R2.73925 OCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000211926 [0,1,0,0,0,0|3,0,0]=4 5779 B17R2.73925 OCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000211926 [0,1,0,0,0,0|3,0,0]=4 5780 B17R2.73925 OCCSCc1ccc2cc(ccc2c1)Br 62a_100000211926_100012356510 [0,1,0,0,0,0|3,0,0]=4 5781 B17R2.73925 OCCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100000211926 [0,1,0,0,0,0|3,0,0]=4 5782 B17R2.73925 Oc1ccc2cc(ccc2c1)CNCCF 34a_200000083168_100011217306 [0,1,0,0,0,0|3,0,0]=4 5783 B17R2.73925 Oc1ccc2cc(ccc2c1)SCCCF 62a_100011934791_100000185455 [0,1,0,0,0,0|1,1,0]=3 5784 B17R2.73925 Oc1ccc2cc(cnc2c1)SCCCF 62a_100011934791_200010153753 [0,1,0,0,0,0|2,1,0]=4 5785 B17R2.73925 Oc1ccc2nc(ccc2c1)SCCCF 62a_100011934791_100009849208 [0,1,0,0,0,0|2,1,0]=4 5786 B17R2.103529 C#CCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000688953 [0,1,0,0,0,0|1,0,2]=4 5787 B17R2.103529 C#CCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000688953 [0,1,0,0,0,0|1,0,2]=4 5788 B17R2.103529 C#CCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000688953 [0,1,0,0,0,0|1,0,2]=4 5789 B17R2.103529 C#CCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000688953 [0,1,0,0,0,0|1,0,2]=4 5790 B17R2.103529 C#CCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000688953 [0,1,0,0,0,0|1,0,2]=4 5791 B17R2.103529 C#CCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000688953 [0,1,0,0,0,0|1,0,2]=4 5792 B17R2.103529 C#CCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000688953 [0,1,0,0,0,0|0,0,2]=3 5793 B17R2.103529 C#CCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000688953 [0,1,0,0,0,0|0,0,2]=3 5794 B17R2.103529 C#CCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000688953 [0,1,0,0,0,0|1,0,2]=4 5795 B17R2.103529 C#CCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000688953 [0,1,0,0,0,0|1,0,2]=4 5796 B17R2.103529 C#CCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000688953 [0,1,0,0,0,0|1,0,2]=4 5797 B17R2.103529 C#CCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000688953 [0,1,0,0,0,0|1,0,2]=4 5798 B17R2.103529 C#CCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000688953 [0,1,0,0,0,0|1,0,2]=4 5799 B17R2.103529 C#CCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000688953 [0,1,0,0,0,0|1,0,2]=4 5800 B17R2.103529 C#CCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000688953 [0,1,0,0,0,0|1,0,2]=4 5801 B17R2.103529 C#CCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000688953 [0,1,0,0,0,0|1,0,2]=4 5802 B17R2.103529 C#CCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000688953 [0,1,0,0,0,0|1,0,2]=4 5803 B17R2.103529 C#CCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000688953 [0,1,0,0,0,0|1,0,2]=4 5804 B17R2.103529 C#CCCSc1ccc2c(cccc2c1)N 62a_100000688953_100010090037 [0,1,0,0,0,0|0,1,2]=4 5805 B17R2.103529 C#CCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000688953 [0,1,0,0,0,0|0,1,2]=4 5806 B17R2.103529 C#CCCSc1ccc2c(cccc2c1)O 62a_100000688953_100010202202 [0,1,0,0,0,0|0,1,2]=4 5807 B17R2.103529 C/C=C/CNc1ccc2c(cccc2c1)O 34a_100000035793_100102629194 [0,1,0,0,0,0|1,0,2]=4 5808 B17R2.103529 C/C=C/CNc1ccc2c(cccc2c1)O 7a_100000035793_100102629194 [0,1,0,0,0,0|1,0,2]=4 5809 B17R2.103529 C/C=C/COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100102629194 [0,1,0,0,0,0|1,0,2]=4 5810 B17R2.103529 C/C=C/COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100102629194 [0,1,0,0,0,0|1,0,2]=4 5811 B17R2.103529 C/C=C/COc1ccc2c(=O)ccoc2c1 34a_200000065989_100102629194 [0,1,0,0,0,0|1,0,2]=4 5812 B17R2.103529 C/C=C/COc1ccc2c(=O)ccoc2c1 7a_200000065989_100102629194 [0,1,0,0,0,0|1,0,2]=4 5813 B17R2.103529 C/C=C/COc1ccc2c(cccc2c1)N 34a_100000034668_100102629194 [0,1,0,0,0,0|0,0,2]=3 5814 B17R2.103529 C/C=C/COc1ccc2c(cccc2c1)N 7a_100000034668_100102629194 [0,1,0,0,0,0|0,0,2]=3 5815 B17R2.103529 C/C=C/COc1ccc2c(ccnc2c1)Br 34a_100010204257_100102629194 [0,1,0,0,0,0|1,0,2]=4 5816 B17R2.103529 C/C=C/COc1ccc2c(ccnc2c1)Br 7a_100010204257_100102629194 [0,1,0,0,0,0|1,0,2]=4 5817 B17R2.103529 C/C=C/COc1ccc2c(ccnc2c1)C 34a_200009854145_100102629194 [0,1,0,0,0,0|1,0,2]=4 5818 B17R2.103529 C/C=C/COc1ccc2c(ccnc2c1)C 7a_200009854145_100102629194 [0,1,0,0,0,0|1,0,2]=4 5819 B17R2.103529 C/C=C/COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100102629194 [0,1,0,0,0,0|1,0,2]=4 5820 B17R2.103529 C/C=C/COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100102629194 [0,1,0,0,0,0|1,0,2]=4 5821 B17R2.103529 C/C=C/COc1ccc2c(nccc2c1)Cl 34a_100009867704_100102629194 [0,1,0,0,0,0|1,0,2]=4 5822 B17R2.103529 C/C=C/COc1ccc2c(nccc2c1)Cl 7a_100009867704_100102629194 [0,1,0,0,0,0|1,0,2]=4 5823 B17R2.103529 C/C=C/COc1cnc2c(cccc2c1)F 34a_100012184956_100102629194 [0,1,0,0,0,0|1,0,2]=4 5824 B17R2.103529 C/C=C/COc1cnc2c(cccc2c1)F 7a_100012184956_100102629194 [0,1,0,0,0,0|1,0,2]=4 5825 B17R2.103529 C/C=C/CSc1ccc2c(cccc2c1)N 62a_100010090037_100102629194 [0,1,0,0,0,0|0,1,2]=4 5826 B17R2.103529 C/C=C/CSc1ccc2c(cccc2c1)N 62a_100102629194_100010090037 [0,1,0,0,0,0|0,1,2]=4 5827 B17R2.103529 C/C=C/CSc1ccc2c(cccc2c1)O 62a_100102629194_100010202202 [0,1,0,0,0,0|0,1,2]=4 5828 B17R2.103529 C=CCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000754431 [0,1,0,0,0,0|1,0,2]=4 5829 B17R2.103529 C=CCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000754431 [0,1,0,0,0,0|1,0,2]=4 5830 B17R2.103529 C=CCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000754431 [0,1,0,0,0,0|1,0,2]=4 5831 B17R2.103529 C=CCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000754431 [0,1,0,0,0,0|1,0,2]=4 5832 B17R2.103529 C=CCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000754431 [0,1,0,0,0,0|1,0,2]=4 5833 B17R2.103529 C=CCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000754431 [0,1,0,0,0,0|1,0,2]=4 5834 B17R2.103529 C=CCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000754431 [0,1,0,0,0,0|0,0,2]=3 5835 B17R2.103529 C=CCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000754431 [0,1,0,0,0,0|0,0,2]=3 5836 B17R2.103529 C=CCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000754431 [0,1,0,0,0,0|1,0,2]=4 5837 B17R2.103529 C=CCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000754431 [0,1,0,0,0,0|1,0,2]=4 5838 B17R2.103529 C=CCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000754431 [0,1,0,0,0,0|1,0,2]=4 5839 B17R2.103529 C=CCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000754431 [0,1,0,0,0,0|1,0,2]=4 5840 B17R2.103529 C=CCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000754431 [0,1,0,0,0,0|1,0,2]=4 5841 B17R2.103529 C=CCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000754431 [0,1,0,0,0,0|1,0,2]=4 5842 B17R2.103529 C=CCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000754431 [0,1,0,0,0,0|1,0,2]=4 5843 B17R2.103529 C=CCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000754431 [0,1,0,0,0,0|1,0,2]=4 5844 B17R2.103529 C=CCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000754431 [0,1,0,0,0,0|1,0,2]=4 5845 B17R2.103529 C=CCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000754431 [0,1,0,0,0,0|1,0,2]=4 5846 B17R2.103529 C=CCCSc1ccc2c(cccc2c1)N 62a_100000754431_100010090037 [0,1,0,0,0,0|0,1,2]=4 5847 B17R2.103529 C=CCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000754431 [0,1,0,0,0,0|0,1,2]=4 5848 B17R2.103529 C=CCCSc1ccc2c(cccc2c1)O 62a_100000754431_100010202202 [0,1,0,0,0,0|0,1,2]=4 5849 B17R2.103529 CC#CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000748600 [0,1,0,0,0,0|1,0,2]=4 5850 B17R2.103529 CC#CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000748600 [0,1,0,0,0,0|1,0,2]=4 5851 B17R2.103529 CC#CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000748600 [0,1,0,0,0,0|1,0,2]=4 5852 B17R2.103529 CC#CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000748600 [0,1,0,0,0,0|1,0,2]=4 5853 B17R2.103529 CC#CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000748600 [0,1,0,0,0,0|1,0,2]=4 5854 B17R2.103529 CC#CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000748600 [0,1,0,0,0,0|1,0,2]=4 5855 B17R2.103529 CC#CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000748600 [0,1,0,0,0,0|0,0,2]=3 5856 B17R2.103529 CC#CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000748600 [0,1,0,0,0,0|0,0,2]=3 5857 B17R2.103529 CC#CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000748600 [0,1,0,0,0,0|1,0,2]=4 5858 B17R2.103529 CC#CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000748600 [0,1,0,0,0,0|1,0,2]=4 5859 B17R2.103529 CC#CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000748600 [0,1,0,0,0,0|1,0,2]=4 5860 B17R2.103529 CC#CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000748600 [0,1,0,0,0,0|1,0,2]=4 5861 B17R2.103529 CC#CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000748600 [0,1,0,0,0,0|1,0,2]=4 5862 B17R2.103529 CC#CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000748600 [0,1,0,0,0,0|1,0,2]=4 5863 B17R2.103529 CC#CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000748600 [0,1,0,0,0,0|1,0,2]=4 5864 B17R2.103529 CC#CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000748600 [0,1,0,0,0,0|1,0,2]=4 5865 B17R2.103529 CC#CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000748600 [0,1,0,0,0,0|1,0,2]=4 5866 B17R2.103529 CC#CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000748600 [0,1,0,0,0,0|1,0,2]=4 5867 B17R2.103529 CC#CCSc1ccc2c(cccc2c1)N 62a_100000748600_100010090037 [0,1,0,0,0,0|0,1,2]=4 5868 B17R2.103529 CC#CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000748600 [0,1,0,0,0,0|0,1,2]=4 5869 B17R2.103529 CC#CCSc1ccc2c(cccc2c1)O 62a_100000748600_100010202202 [0,1,0,0,0,0|0,1,2]=4 5870 B17R2.103529 CC=CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000070051 [0,1,0,0,0,0|1,0,2]=4 5871 B17R2.103529 CC=CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000070051 [0,1,0,0,0,0|1,0,2]=4 5872 B17R2.103529 CC=CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000070051 [0,1,0,0,0,0|1,0,2]=4 5873 B17R2.103529 CC=CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000070051 [0,1,0,0,0,0|1,0,2]=4 5874 B17R2.103529 CC=CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000070051 [0,1,0,0,0,0|1,0,2]=4 5875 B17R2.103529 CC=CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000070051 [0,1,0,0,0,0|1,0,2]=4 5876 B17R2.103529 CC=CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000070051 [0,1,0,0,0,0|0,0,2]=3 5877 B17R2.103529 CC=CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000070051 [0,1,0,0,0,0|0,0,2]=3 5878 B17R2.103529 CC=CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000070051 [0,1,0,0,0,0|1,0,2]=4 5879 B17R2.103529 CC=CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000070051 [0,1,0,0,0,0|1,0,2]=4 5880 B17R2.103529 CC=CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000070051 [0,1,0,0,0,0|1,0,2]=4 5881 B17R2.103529 CC=CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000070051 [0,1,0,0,0,0|1,0,2]=4 5882 B17R2.103529 CC=CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000070051 [0,1,0,0,0,0|1,0,2]=4 5883 B17R2.103529 CC=CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000070051 [0,1,0,0,0,0|1,0,2]=4 5884 B17R2.103529 CC=CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000070051 [0,1,0,0,0,0|1,0,2]=4 5885 B17R2.103529 CC=CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000070051 [0,1,0,0,0,0|1,0,2]=4 5886 B17R2.103529 CC=CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000070051 [0,1,0,0,0,0|1,0,2]=4 5887 B17R2.103529 CC=CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000070051 [0,1,0,0,0,0|1,0,2]=4 5888 B17R2.103529 CC=CCSc1ccc2c(cccc2c1)N 62a_100000070051_100010090037 [0,1,0,0,0,0|0,1,2]=4 5889 B17R2.103529 CC=CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000070051 [0,1,0,0,0,0|0,1,2]=4 5890 B17R2.103529 CC=CCSc1ccc2c(cccc2c1)O 62a_100000070051_100010202202 [0,1,0,0,0,0|0,1,2]=4 5891 B17R2.103529 CCCC=Cc1ccc2c(=O)ccoc2c1 271570a_100016258520_100010062221 [0,1,0,0,0,0|2,0,1]=4 5892 B17R2.103529 CCCC=Cc1ccc2c(cccc2c1)N 271570a_100016258520_100010090037 [0,1,0,0,0,0|1,0,1]=3 5893 B17R2.103529 CCCC=Cc1ccc2c(cccc2c1)O 271570a_100016258520_100010202202 [0,1,0,0,0,0|1,0,1]=3 5894 B17R2.103529 CCCC=Cc1ccc2c(ccnc2c1)C 271570a_100016258520_100010132309 [0,1,0,0,0,0|2,0,1]=4 5895 B17R2.103529 CCCC=Cc1ccc2c(ccnc2c1)Cl 271570a_100016258520_100009996786 [0,1,0,0,0,0|2,0,1]=4 5896 B17R2.103529 CCCC=Cc1ccc2c(ccnc2c1)N 271570a_100016258520_200009816820 [0,1,0,0,0,0|2,0,1]=4 5897 B17R2.103529 CCCC=Cc1ccc2c(ccnc2c1)O 271570a_100016258520_100000756855 [0,1,0,0,0,0|2,0,1]=4 5898 B17R2.103529 CCCC=Cc1ccc2c(nccc2c1)N 271570a_100016258520_100000732483 [0,1,0,0,0,0|2,0,1]=4 5899 B17R2.103529 CCCC=Cc1ccc2c(nccc2c1)O 271570a_100016258520_100000760485 [0,1,0,0,0,0|2,0,1]=4 5900 B17R2.103529 CCCC=Cc1cnc2c(cccc2c1)Br 271570a_100016258520_100010204298 [0,1,0,0,0,0|2,0,1]=4 5901 B17R2.103529 CCCC=Cc1cnc2c(cccc2c1)C 271570a_100016258520_100009829671 [0,1,0,0,0,0|2,0,1]=4 5902 B17R2.103529 CCCC=Cc1cnc2c(cccc2c1)Cl 271570a_100016258520_100000759377 [0,1,0,0,0,0|2,0,1]=4 5903 B17R2.103529 CCCC=Cc1cnc2c(cccc2c1)F 271570a_100016258520_100000049890 [0,1,0,0,0,0|2,0,1]=4 5904 B17R2.103529 CCCC=Cc1cnc2c(cccc2c1)N 271570a_100016258520_100000702407 [0,1,0,0,0,0|2,0,1]=4 5905 B17R2.103529 CCCCNc1cc2[nH]ccc(=O)c2cn1 27a_100000102301_100000101246 [0,1,0,0,0,0|3,0,0]=4 5906 B17R2.103529 CCCCNc1cc2ccnc(c2cn1)O 27a_100000102301_100020669822 [0,1,0,0,0,0|3,0,0]=4 5907 B17R2.103529 CCCCNc1ccc2c(=O)[nH]cnc2c1 27a_100000102301_100000230960 [0,1,0,0,0,0|3,0,0]=4 5908 B17R2.103529 CCCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210210 [0,1,0,0,0,0|1,0,0]=2 5909 B17R2.103529 CCCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210211 [0,1,0,0,0,0|1,0,0]=2 5910 B17R2.103529 CCCCNc1ccc2c(ccnc2c1)Cl 27a_100000102301_100009996786 [0,1,0,0,0,0|2,0,0]=3 5911 B17R2.103529 CCCCNc1ccc2c(ncnc2c1)N 27a_100000102301_100010199758 [0,1,0,0,0,0|3,0,0]=4 5912 B17R2.103529 CCCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210210 [0,1,0,0,0,0|1,0,0]=2 5913 B17R2.103529 CCCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210211 [0,1,0,0,0,0|1,0,0]=2 5914 B17R2.103529 CCCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210210 [0,1,0,0,0,0|1,0,0]=2 5915 B17R2.103529 CCCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210211 [0,1,0,0,0,0|1,0,0]=2 5916 B17R2.103529 CCCCOc1ccc2c(c1)CCCC2=O 7a_100000746981_100000210211 [0,1,0,0,0,0|0,0,3]=4 5917 B17R2.103529 CCCCOc1ccc2c(c1)CCNC2=O 34a_100000087030_100000210210 [0,1,0,0,0,0|1,0,2]=4 5918 B17R2.103529 CCCCOc1ccc2c(c1)CCNC2=O 7a_100000087030_100000210211 [0,1,0,0,0,0|1,0,2]=4 5919 B17R2.103529 CCCCOc1ccc2c(c1)OCCC2=O 34a_100000089553_100000210210 [0,1,0,0,0,0|1,0,2]=4 5920 B17R2.103529 CCCCOc1ccc2c(c1)OCCC2=O 7a_100000089553_100000210211 [0,1,0,0,0,0|1,0,2]=4 5921 B17R2.103529 CCCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210210 [0,1,0,0,0,0|0,0,0]=1 5922 B17R2.103529 CCCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210211 [0,1,0,0,0,0|0,0,0]=1 5923 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210210 [0,1,0,0,0,0|1,0,0]=2 5924 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210211 [0,1,0,0,0,0|1,0,0]=2 5925 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210210 [0,1,0,0,0,0|1,0,0]=2 5926 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210211 [0,1,0,0,0,0|1,0,0]=2 5927 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210210 [0,1,0,0,0,0|1,0,0]=2 5928 B17R2.103529 CCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210211 [0,1,0,0,0,0|1,0,0]=2 5929 B17R2.103529 CCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210210 [0,1,0,0,0,0|1,0,0]=2 5930 B17R2.103529 CCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210211 [0,1,0,0,0,0|1,0,0]=2 5931 B17R2.103529 CCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210210 [0,1,0,0,0,0|1,0,0]=2 5932 B17R2.103529 CCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210211 [0,1,0,0,0,0|1,0,0]=2 5933 B17R2.103529 CCCCSc1cc2[nH]ccc(=O)c2cn1 62a_100000210211_100000101246 [0,1,0,0,0,0|2,1,0]=4 5934 B17R2.103529 CCCCSc1cc2cc[nH]c(=O)c2cn1 62a_100010134373_100000210210 [0,1,0,0,0,0|2,1,0]=4 5935 B17R2.103529 CCCCSc1cc2ccnc(c2cn1)O 62a_100000210211_100020669822 [0,1,0,0,0,0|2,1,0]=4 5936 B17R2.103529 CCCCSc1ccc2c(=O)[nH]cnc2c1 62a_100000210211_100000230960 [0,1,0,0,0,0|2,1,0]=4 5937 B17R2.103529 CCCCSc1ccc2c(=O)ccoc2c1 62a_100000210211_100010062221 [0,1,0,0,0,0|1,1,0]=3 5938 B17R2.103529 CCCCSc1ccc2c(cccc2c1)N 62a_100000210211_100010090037 [0,1,0,0,0,0|0,1,0]=2 5939 B17R2.103529 CCCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210210 [0,1,0,0,0,0|0,1,0]=2 5940 B17R2.103529 CCCCSc1ccc2c(cccc2c1)O 62a_100000210211_100010202202 [0,1,0,0,0,0|0,1,0]=2 5941 B17R2.103529 CCCCSc1ccc2c(ccnc2c1)C 62a_100000210211_100010132309 [0,1,0,0,0,0|1,1,0]=3 5942 B17R2.103529 CCCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000210210 [0,1,0,0,0,0|1,1,0]=3 5943 B17R2.103529 CCCCSc1ccc2c(ccnc2c1)Cl 62a_100000210211_100009996786 [0,1,0,0,0,0|1,1,0]=3 5944 B17R2.103529 CCCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210210 [0,1,0,0,0,0|1,1,0]=3 5945 B17R2.103529 CCCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000210210 [0,1,0,0,0,0|1,1,0]=3 5946 B17R2.103529 CCCCSc1ccc2c(ccnc2c1)O 62a_100000210211_100000756855 [0,1,0,0,0,0|1,1,0]=3 5947 B17R2.103529 CCCCSc1ccc2c(nccc2c1)N 62a_100000210211_100000732483 [0,1,0,0,0,0|1,1,0]=3 5948 B17R2.103529 CCCCSc1ccc2c(nccc2c1)N 62a_100000732483_100000210210 [0,1,0,0,0,0|1,1,0]=3 5949 B17R2.103529 CCCCSc1ccc2c(nccc2c1)O 62a_100000210211_100000760485 [0,1,0,0,0,0|1,1,0]=3 5950 B17R2.103529 CCCCSc1ccc2c(ncnc2c1)N 62a_100000210211_100010199758 [0,1,0,0,0,0|2,1,0]=4 5951 B17R2.103529 CCCCSc1ccc2c(ncnc2c1)N 62a_100010199758_100000210210 [0,1,0,0,0,0|2,1,0]=4 5952 B17R2.103529 CCCCSc1ccc2c(nncc2c1)O 62a_100000210211_100000724280 [0,1,0,0,0,0|2,1,0]=4 5953 B17R2.103529 CCCCSc1cnc2c(cccc2c1)Br 62a_100000210211_100010204298 [0,1,0,0,0,0|1,1,0]=3 5954 B17R2.103529 CCCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000210210 [0,1,0,0,0,0|1,1,0]=3 5955 B17R2.103529 CCCCSc1cnc2c(cccc2c1)C 62a_100000210211_100009829671 [0,1,0,0,0,0|1,1,0]=3 5956 B17R2.103529 CCCCSc1cnc2c(cccc2c1)Cl 62a_100000210211_100000759377 [0,1,0,0,0,0|1,1,0]=3 5957 B17R2.103529 CCCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000210210 [0,1,0,0,0,0|1,1,0]=3 5958 B17R2.103529 CCCCSc1cnc2c(cccc2c1)F 62a_100000210211_100000049890 [0,1,0,0,0,0|1,1,0]=3 5959 B17R2.103529 CCCCSc1cnc2c(cccc2c1)N 62a_100000210211_100000702407 [0,1,0,0,0,0|1,1,0]=3 5960 B17R2.103529 CCCCSc1cnc2c(nccc2c1)O 62a_100000210211_100010117065 [0,1,0,0,0,0|2,1,0]=4 5961 B17R2.103529 CCOC=Cc1ccc2c(cccc2c1)N 271570a_100016256518_100010090037 [0,1,0,0,0,0|2,0,1]=4 5962 B17R2.103529 CCOC=Cc1ccc2c(cccc2c1)O 271570a_100016256518_100010202202 [0,1,0,0,0,0|2,0,1]=4 5963 B17R2.103529 CCOCSc1ccc2c(=O)ccoc2c1 62a_100000739092_100010062221 [0,1,0,0,0,0|2,1,0]=4 5964 B17R2.103529 CCOCSc1ccc2c(cccc2c1)N 62a_100000739092_100010090037 [0,1,0,0,0,0|1,1,0]=3 5965 B17R2.103529 CCOCSc1ccc2c(cccc2c1)N 62a_100010090037_100000739092 [0,1,0,0,0,0|1,1,0]=3 5966 B17R2.103529 CCOCSc1ccc2c(cccc2c1)O 62a_100000739092_100010202202 [0,1,0,0,0,0|1,1,0]=3 5967 B17R2.103529 CCOCSc1ccc2c(ccnc2c1)C 62a_100000739092_100010132309 [0,1,0,0,0,0|2,1,0]=4 5968 B17R2.103529 CCOCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000739092 [0,1,0,0,0,0|2,1,0]=4 5969 B17R2.103529 CCOCSc1ccc2c(ccnc2c1)Cl 62a_100000739092_100009996786 [0,1,0,0,0,0|2,1,0]=4 5970 B17R2.103529 CCOCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000739092 [0,1,0,0,0,0|2,1,0]=4 5971 B17R2.103529 CCOCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000739092 [0,1,0,0,0,0|2,1,0]=4 5972 B17R2.103529 CCOCSc1ccc2c(ccnc2c1)O 62a_100000739092_100000756855 [0,1,0,0,0,0|2,1,0]=4 5973 B17R2.103529 CCOCSc1ccc2c(nccc2c1)N 62a_100000732483_100000739092 [0,1,0,0,0,0|2,1,0]=4 5974 B17R2.103529 CCOCSc1ccc2c(nccc2c1)N 62a_100000739092_100000732483 [0,1,0,0,0,0|2,1,0]=4 5975 B17R2.103529 CCOCSc1ccc2c(nccc2c1)O 62a_100000739092_100000760485 [0,1,0,0,0,0|2,1,0]=4 5976 B17R2.103529 CCOCSc1cnc2c(cccc2c1)Br 62a_100000739092_100010204298 [0,1,0,0,0,0|2,1,0]=4 5977 B17R2.103529 CCOCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000739092 [0,1,0,0,0,0|2,1,0]=4 5978 B17R2.103529 CCOCSc1cnc2c(cccc2c1)C 62a_100000739092_100009829671 [0,1,0,0,0,0|2,1,0]=4 5979 B17R2.103529 CCOCSc1cnc2c(cccc2c1)Cl 62a_100000739092_100000759377 [0,1,0,0,0,0|2,1,0]=4 5980 B17R2.103529 CCOCSc1cnc2c(cccc2c1)F 62a_100000049890_100000739092 [0,1,0,0,0,0|2,1,0]=4 5981 B17R2.103529 CCOCSc1cnc2c(cccc2c1)F 62a_100000739092_100000049890 [0,1,0,0,0,0|2,1,0]=4 5982 B17R2.103529 CCOCSc1cnc2c(cccc2c1)N 62a_100000739092_100000702407 [0,1,0,0,0,0|2,1,0]=4 5983 B17R2.103529 COCC=Cc1ccc2c(cccc2c1)N 271570a_100016286323_100010090037 [0,1,0,0,0,0|2,0,1]=4 5984 B17R2.103529 COCC=Cc1ccc2c(cccc2c1)O 271570a_100016286323_100010202202 [0,1,0,0,0,0|2,0,1]=4 5985 B17R2.103529 COCCNc1ccc2c(cccc2c1)O 34a_100000035793_100011201679 [0,1,0,0,0,0|2,0,0]=3 5986 B17R2.103529 COCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000233755 [0,1,0,0,0,0|2,0,0]=3 5987 B17R2.103529 COCCNc1ccc2c(ccnc2c1)Cl 27a_100000209980_100009996786 [0,1,0,0,0,0|3,0,0]=4 5988 B17R2.103529 COCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100011201679 [0,1,0,0,0,0|2,0,0]=3 5989 B17R2.103529 COCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000233755 [0,1,0,0,0,0|2,0,0]=3 5990 B17R2.103529 COCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100011201679 [0,1,0,0,0,0|2,0,0]=3 5991 B17R2.103529 COCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000233755 [0,1,0,0,0,0|2,0,0]=3 5992 B17R2.103529 COCCOc1ccc2c(cccc2c1)N 34a_100000034668_100011201679 [0,1,0,0,0,0|1,0,0]=2 5993 B17R2.103529 COCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000233755 [0,1,0,0,0,0|1,0,0]=2 5994 B17R2.103529 COCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100011201679 [0,1,0,0,0,0|2,0,0]=3 5995 B17R2.103529 COCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000233755 [0,1,0,0,0,0|2,0,0]=3 5996 B17R2.103529 COCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100011201679 [0,1,0,0,0,0|2,0,0]=3 5997 B17R2.103529 COCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000233755 [0,1,0,0,0,0|2,0,0]=3 5998 B17R2.103529 COCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011201679 [0,1,0,0,0,0|2,0,0]=3 5999 B17R2.103529 COCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000233755 [0,1,0,0,0,0|2,0,0]=3 6000 B17R2.103529 COCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100011201679 [0,1,0,0,0,0|2,0,0]=3 6001 B17R2.103529 COCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000233755 [0,1,0,0,0,0|2,0,0]=3 6002 B17R2.103529 COCCOc1cnc2c(cccc2c1)F 34a_100012184956_100011201679 [0,1,0,0,0,0|2,0,0]=3 6003 B17R2.103529 COCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000233755 [0,1,0,0,0,0|2,0,0]=3 6004 B17R2.103529 COCCSc1ccc2c(=O)ccoc2c1 62a_100000233755_100010062221 [0,1,0,0,0,0|2,1,0]=4 6005 B17R2.103529 COCCSc1ccc2c(cccc2c1)N 62a_100000233755_100010090037 [0,1,0,0,0,0|1,1,0]=3 6006 B17R2.103529 COCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000233755 [0,1,0,0,0,0|1,1,0]=3 6007 B17R2.103529 COCCSc1ccc2c(cccc2c1)O 62a_100000233755_100010202202 [0,1,0,0,0,0|1,1,0]=3 6008 B17R2.103529 COCCSc1ccc2c(ccnc2c1)C 62a_100000233755_100010132309 [0,1,0,0,0,0|2,1,0]=4 6009 B17R2.103529 COCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000233755 [0,1,0,0,0,0|2,1,0]=4 6010 B17R2.103529 COCCSc1ccc2c(ccnc2c1)Cl 62a_100000233755_100009996786 [0,1,0,0,0,0|2,1,0]=4 6011 B17R2.103529 COCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000233755 [0,1,0,0,0,0|2,1,0]=4 6012 B17R2.103529 COCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000233755 [0,1,0,0,0,0|2,1,0]=4 6013 B17R2.103529 COCCSc1ccc2c(ccnc2c1)O 62a_100000233755_100000756855 [0,1,0,0,0,0|2,1,0]=4 6014 B17R2.103529 COCCSc1ccc2c(nccc2c1)N 62a_100000233755_100000732483 [0,1,0,0,0,0|2,1,0]=4 6015 B17R2.103529 COCCSc1ccc2c(nccc2c1)N 62a_100000732483_100000233755 [0,1,0,0,0,0|2,1,0]=4 6016 B17R2.103529 COCCSc1ccc2c(nccc2c1)O 62a_100000233755_100000760485 [0,1,0,0,0,0|2,1,0]=4 6017 B17R2.103529 COCCSc1cnc2c(cccc2c1)Br 62a_100000233755_100010204298 [0,1,0,0,0,0|2,1,0]=4 6018 B17R2.103529 COCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000233755 [0,1,0,0,0,0|2,1,0]=4 6019 B17R2.103529 COCCSc1cnc2c(cccc2c1)C 62a_100000233755_100009829671 [0,1,0,0,0,0|2,1,0]=4 6020 B17R2.103529 COCCSc1cnc2c(cccc2c1)Cl 62a_100000233755_100000759377 [0,1,0,0,0,0|2,1,0]=4 6021 B17R2.103529 COCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000233755 [0,1,0,0,0,0|2,1,0]=4 6022 B17R2.103529 COCCSc1cnc2c(cccc2c1)F 62a_100000233755_100000049890 [0,1,0,0,0,0|2,1,0]=4 6023 B17R2.103529 COCCSc1cnc2c(cccc2c1)N 62a_100000233755_100000702407 [0,1,0,0,0,0|2,1,0]=4 6024 B17R2.103529 CSCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000212216 [0,1,0,0,0,0|2,0,0]=3 6025 B17R2.103529 CSCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000212216 [0,1,0,0,0,0|2,0,0]=3 6026 B17R2.103529 CSCCNc1ccc2c(ccnc2c1)Cl 27a_100020590264_100009996786 [0,1,0,0,0,0|3,0,0]=4 6027 B17R2.103529 CSCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000212216 [0,1,0,0,0,0|2,0,0]=3 6028 B17R2.103529 CSCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000212216 [0,1,0,0,0,0|2,0,0]=3 6029 B17R2.103529 CSCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000212216 [0,1,0,0,0,0|2,0,0]=3 6030 B17R2.103529 CSCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000212216 [0,1,0,0,0,0|2,0,0]=3 6031 B17R2.103529 CSCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000212216 [0,1,0,0,0,0|1,0,0]=2 6032 B17R2.103529 CSCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000212216 [0,1,0,0,0,0|1,0,0]=2 6033 B17R2.103529 CSCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000212216 [0,1,0,0,0,0|2,0,0]=3 6034 B17R2.103529 CSCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000212216 [0,1,0,0,0,0|2,0,0]=3 6035 B17R2.103529 CSCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000212216 [0,1,0,0,0,0|2,0,0]=3 6036 B17R2.103529 CSCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000212216 [0,1,0,0,0,0|2,0,0]=3 6037 B17R2.103529 CSCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000212216 [0,1,0,0,0,0|2,0,0]=3 6038 B17R2.103529 CSCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000212216 [0,1,0,0,0,0|2,0,0]=3 6039 B17R2.103529 CSCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000212216 [0,1,0,0,0,0|2,0,0]=3 6040 B17R2.103529 CSCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000212216 [0,1,0,0,0,0|2,0,0]=3 6041 B17R2.103529 CSCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000212216 [0,1,0,0,0,0|2,0,0]=3 6042 B17R2.103529 CSCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000212216 [0,1,0,0,0,0|2,0,0]=3 6043 B17R2.103529 CSCCSc1ccc2c(=O)ccoc2c1 62a_100000212216_100010062221 [0,1,0,0,0,0|2,1,0]=4 6044 B17R2.103529 CSCCSc1ccc2c(cccc2c1)N 62a_100000212216_100010090037 [0,1,0,0,0,0|1,1,0]=3 6045 B17R2.103529 CSCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000751147 [0,1,0,0,0,0|1,1,0]=3 6046 B17R2.103529 CSCCSc1ccc2c(cccc2c1)O 62a_100000212216_100010202202 [0,1,0,0,0,0|1,1,0]=3 6047 B17R2.103529 CSCCSc1ccc2c(ccnc2c1)C 62a_100000212216_100010132309 [0,1,0,0,0,0|2,1,0]=4 6048 B17R2.103529 CSCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000751147 [0,1,0,0,0,0|2,1,0]=4 6049 B17R2.103529 CSCCSc1ccc2c(ccnc2c1)Cl 62a_100000212216_100009996786 [0,1,0,0,0,0|2,1,0]=4 6050 B17R2.103529 CSCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000751147 [0,1,0,0,0,0|2,1,0]=4 6051 B17R2.103529 CSCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000751147 [0,1,0,0,0,0|2,1,0]=4 6052 B17R2.103529 CSCCSc1ccc2c(ccnc2c1)O 62a_100000212216_100000756855 [0,1,0,0,0,0|2,1,0]=4 6053 B17R2.103529 CSCCSc1ccc2c(nccc2c1)N 62a_100000212216_100000732483 [0,1,0,0,0,0|2,1,0]=4 6054 B17R2.103529 CSCCSc1ccc2c(nccc2c1)N 62a_100000732483_100000751147 [0,1,0,0,0,0|2,1,0]=4 6055 B17R2.103529 CSCCSc1ccc2c(nccc2c1)O 62a_100000212216_100000760485 [0,1,0,0,0,0|2,1,0]=4 6056 B17R2.103529 CSCCSc1cnc2c(cccc2c1)Br 62a_100000212216_100010204298 [0,1,0,0,0,0|2,1,0]=4 6057 B17R2.103529 CSCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000751147 [0,1,0,0,0,0|2,1,0]=4 6058 B17R2.103529 CSCCSc1cnc2c(cccc2c1)C 62a_100000212216_100009829671 [0,1,0,0,0,0|2,1,0]=4 6059 B17R2.103529 CSCCSc1cnc2c(cccc2c1)Cl 62a_100000212216_100000759377 [0,1,0,0,0,0|2,1,0]=4 6060 B17R2.103529 CSCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000751147 [0,1,0,0,0,0|2,1,0]=4 6061 B17R2.103529 CSCCSc1cnc2c(cccc2c1)F 62a_100000212216_100000049890 [0,1,0,0,0,0|2,1,0]=4 6062 B17R2.103529 CSCCSc1cnc2c(cccc2c1)N 62a_100000212216_100000702407 [0,1,0,0,0,0|2,1,0]=4 6063 B17R2.103529 Cc1cccc2c1ncc(c2)SCCCF 62a_100011934791_100009829671 [0,1,0,0,0,0|2,1,0]=4 6064 B17R2.103529 Cc1cccc2c1ncc(c2)SCCCO 62a_100011215043_100009829671 [0,1,0,0,0,0|2,1,0]=4 6065 B17R2.103529 Cc1ccnc2c1ccc(c2)OCCC#N 7a_200009854145_100000184422 [0,1,0,0,0,0|2,0,1]=4 6066 B17R2.103529 Cc1ccnc2c1ccc(c2)OCCCF 34a_200009854145_100011934791 [0,1,0,0,0,0|2,0,0]=3 6067 B17R2.103529 Cc1ccnc2c1ccc(c2)OCCCF 7a_200009854145_100011934791 [0,1,0,0,0,0|2,0,0]=3 6068 B17R2.103529 Cc1ccnc2c1ccc(c2)OCCCO 34a_200009854145_100000230001 [0,1,0,0,0,0|2,0,0]=3 6069 B17R2.103529 Cc1ccnc2c1ccc(c2)OCCCO 7a_200009854145_100011215043 [0,1,0,0,0,0|2,0,0]=3 6070 B17R2.103529 Cc1ccnc2c1ccc(c2)SCCCF 62a_100010132309_100011934791 [0,1,0,0,0,0|2,1,0]=4 6071 B17R2.103529 Cc1ccnc2c1ccc(c2)SCCCF 62a_100011934791_100010132309 [0,1,0,0,0,0|2,1,0]=4 6072 B17R2.103529 Cc1ccnc2c1ccc(c2)SCCCO 62a_100010132309_100011215043 [0,1,0,0,0,0|2,1,0]=4 6073 B17R2.103529 Cc1ccnc2c1ccc(c2)SCCCO 62a_100011215043_100010132309 [0,1,0,0,0,0|2,1,0]=4 6074 B17R2.103529 FCCCNc1ccc2c(ccnc2c1)Cl 27a_100015189416_100009996786 [0,1,0,0,0,0|3,0,0]=4 6075 B17R2.103529 FCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100011934791 [0,1,0,0,0,0|2,0,0]=3 6076 B17R2.103529 FCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100011934791 [0,1,0,0,0,0|2,0,0]=3 6077 B17R2.103529 FCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011934791 [0,1,0,0,0,0|2,0,0]=3 6078 B17R2.103529 FCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011934791 [0,1,0,0,0,0|2,0,0]=3 6079 B17R2.103529 FCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100011934791 [0,1,0,0,0,0|2,0,0]=3 6080 B17R2.103529 FCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100011934791 [0,1,0,0,0,0|2,0,0]=3 6081 B17R2.103529 FCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100011934791 [0,1,0,0,0,0|2,0,0]=3 6082 B17R2.103529 FCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100011934791 [0,1,0,0,0,0|2,0,0]=3 6083 B17R2.103529 FCCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100011934791 [0,1,0,0,0,0|2,1,0]=4 6084 B17R2.103529 FCCCSc1ccc2c(ccnc2c1)Cl 62a_100011934791_100009996786 [0,1,0,0,0,0|2,1,0]=4 6085 B17R2.103529 FCCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100011934791 [0,1,0,0,0,0|2,1,0]=4 6086 B17R2.103529 FCCCSc1cnc2c(cccc2c1)Br 62a_100011934791_100010204298 [0,1,0,0,0,0|2,1,0]=4 6087 B17R2.103529 FCCCSc1cnc2c(cccc2c1)Cl 62a_100011934791_100000759377 [0,1,0,0,0,0|2,1,0]=4 6088 B17R2.103529 FCCCSc1cnc2c(cccc2c1)F 62a_100000049890_100011934791 [0,1,0,0,0,0|2,1,0]=4 6089 B17R2.103529 FCCCSc1cnc2c(cccc2c1)F 62a_100011934791_100000049890 [0,1,0,0,0,0|2,1,0]=4 6090 B17R2.103529 N#CCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000184422 [0,1,0,0,0,0|2,0,1]=4 6091 B17R2.103529 N#CCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000184422 [0,1,0,0,0,0|2,0,1]=4 6092 B17R2.103529 N#CCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000184422 [0,1,0,0,0,0|2,0,1]=4 6093 B17R2.103529 N#CCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000184422 [0,1,0,0,0,0|1,0,1]=3 6094 B17R2.103529 N#CCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000184422 [0,1,0,0,0,0|2,0,1]=4 6095 B17R2.103529 N#CCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000184422 [0,1,0,0,0,0|2,0,1]=4 6096 B17R2.103529 N#CCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000184422 [0,1,0,0,0,0|2,0,1]=4 6097 B17R2.103529 N#CCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000184422 [0,1,0,0,0,0|2,0,1]=4 6098 B17R2.103529 N#CCCSc1ccc2c(cccc2c1)N 62a_100010090037_100011215226 [0,1,0,0,0,0|1,1,1]=4 6099 B17R2.103529 N#CCCSc1ccc2c(cccc2c1)N 62a_100011215226_100010090037 [0,1,0,0,0,0|1,1,1]=4 6100 B17R2.103529 N#CCCSc1ccc2c(cccc2c1)O 62a_100011215226_100010202202 [0,1,0,0,0,0|1,1,1]=4 6101 B17R2.103529 Nc1cccc2c1ccc(c2)OCCCF 34a_100000034668_100011934791 [0,1,0,0,0,0|1,0,0]=2 6102 B17R2.103529 Nc1cccc2c1ccc(c2)OCCCF 7a_100000034668_100011934791 [0,1,0,0,0,0|1,0,0]=2 6103 B17R2.103529 Nc1cccc2c1ccc(c2)OCCCO 34a_100000034668_100000230001 [0,1,0,0,0,0|1,0,0]=2 6104 B17R2.103529 Nc1cccc2c1ccc(c2)OCCCO 7a_100000034668_100011215043 [0,1,0,0,0,0|1,0,0]=2 6105 B17R2.103529 Nc1cccc2c1ccc(c2)SCCCF 62a_100010090037_100011934791 [0,1,0,0,0,0|1,1,0]=3 6106 B17R2.103529 Nc1cccc2c1ccc(c2)SCCCF 62a_100011934791_100010090037 [0,1,0,0,0,0|1,1,0]=3 6107 B17R2.103529 Nc1cccc2c1ccc(c2)SCCCO 62a_100010090037_100011215043 [0,1,0,0,0,0|1,1,0]=3 6108 B17R2.103529 Nc1cccc2c1ccc(c2)SCCCO 62a_100011215043_100010090037 [0,1,0,0,0,0|1,1,0]=3 6109 B17R2.103529 Nc1cccc2c1ncc(c2)SCCCF 62a_100011934791_100000702407 [0,1,0,0,0,0|2,1,0]=4 6110 B17R2.103529 Nc1cccc2c1ncc(c2)SCCCO 62a_100011215043_100000702407 [0,1,0,0,0,0|2,1,0]=4 6111 B17R2.103529 Nc1ccnc2c1ccc(c2)SCCCF 62a_200009816820_100011934791 [0,1,0,0,0,0|2,1,0]=4 6112 B17R2.103529 Nc1ccnc2c1ccc(c2)SCCCO 62a_200009816820_100011215043 [0,1,0,0,0,0|2,1,0]=4 6113 B17R2.103529 Nc1nccc2c1ccc(c2)SCCCF 62a_100000732483_100011934791 [0,1,0,0,0,0|2,1,0]=4 6114 B17R2.103529 Nc1nccc2c1ccc(c2)SCCCF 62a_100011934791_100000732483 [0,1,0,0,0,0|2,1,0]=4 6115 B17R2.103529 Nc1nccc2c1ccc(c2)SCCCO 62a_100000732483_100011215043 [0,1,0,0,0,0|2,1,0]=4 6116 B17R2.103529 Nc1nccc2c1ccc(c2)SCCCO 62a_100011215043_100000732483 [0,1,0,0,0,0|2,1,0]=4 6117 B17R2.103529 O=c1[nH]ccc2c1ccc(c2)OCCCF 34a_100009857879_100011934791 [0,1,0,0,0,0|2,0,0]=3 6118 B17R2.103529 O=c1[nH]ccc2c1ccc(c2)OCCCF 7a_100009857879_100011934791 [0,1,0,0,0,0|2,0,0]=3 6119 B17R2.103529 O=c1[nH]ccc2c1ccc(c2)OCCCO 34a_100009857879_100000230001 [0,1,0,0,0,0|2,0,0]=3 6120 B17R2.103529 O=c1[nH]ccc2c1ccc(c2)OCCCO 7a_100009857879_100011215043 [0,1,0,0,0,0|2,0,0]=3 6121 B17R2.103529 O=c1ccoc2c1ccc(c2)OCCCF 34a_200000065989_100011934791 [0,1,0,0,0,0|2,0,0]=3 6122 B17R2.103529 O=c1ccoc2c1ccc(c2)OCCCF 7a_200000065989_100011934791 [0,1,0,0,0,0|2,0,0]=3 6123 B17R2.103529 O=c1ccoc2c1ccc(c2)OCCCO 34a_200000065989_100000230001 [0,1,0,0,0,0|2,0,0]=3 6124 B17R2.103529 O=c1ccoc2c1ccc(c2)OCCCO 7a_200000065989_100011215043 [0,1,0,0,0,0|2,0,0]=3 6125 B17R2.103529 O=c1ccoc2c1ccc(c2)SCCCF 62a_100011934791_100010062221 [0,1,0,0,0,0|2,1,0]=4 6126 B17R2.103529 O=c1ccoc2c1ccc(c2)SCCCO 62a_100011215043_100010062221 [0,1,0,0,0,0|2,1,0]=4 6127 B17R2.103529 OCCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000230001 [0,1,0,0,0,0|2,0,0]=3 6128 B17R2.103529 OCCCNc1ccc2c(cccc2c1)O 7a_100000035793_100011215043 [0,1,0,0,0,0|2,0,0]=3 6129 B17R2.103529 OCCCNc1ccc2c(ccnc2c1)Cl 27a_100000182051_100009996786 [0,1,0,0,0,0|3,0,0]=4 6130 B17R2.103529 OCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000230001 [0,1,0,0,0,0|2,0,0]=3 6131 B17R2.103529 OCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100011215043 [0,1,0,0,0,0|2,0,0]=3 6132 B17R2.103529 OCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000230001 [0,1,0,0,0,0|2,0,0]=3 6133 B17R2.103529 OCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011215043 [0,1,0,0,0,0|2,0,0]=3 6134 B17R2.103529 OCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000230001 [0,1,0,0,0,0|2,0,0]=3 6135 B17R2.103529 OCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100011215043 [0,1,0,0,0,0|2,0,0]=3 6136 B17R2.103529 OCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000230001 [0,1,0,0,0,0|2,0,0]=3 6137 B17R2.103529 OCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100011215043 [0,1,0,0,0,0|2,0,0]=3 6138 B17R2.103529 OCCCSc1ccc2c(cccc2c1)O 62a_100011215043_100010202202 [0,1,0,0,0,0|1,1,0]=3 6139 B17R2.103529 OCCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100011215043 [0,1,0,0,0,0|2,1,0]=4 6140 B17R2.103529 OCCCSc1ccc2c(ccnc2c1)Cl 62a_100011215043_100009996786 [0,1,0,0,0,0|2,1,0]=4 6141 B17R2.103529 OCCCSc1ccc2c(ccnc2c1)O 62a_100011215043_100000756855 [0,1,0,0,0,0|2,1,0]=4 6142 B17R2.103529 OCCCSc1ccc2c(nccc2c1)O 62a_100011215043_100000760485 [0,1,0,0,0,0|2,1,0]=4 6143 B17R2.103529 OCCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100011215043 [0,1,0,0,0,0|2,1,0]=4 6144 B17R2.103529 OCCCSc1cnc2c(cccc2c1)Br 62a_100011215043_100010204298 [0,1,0,0,0,0|2,1,0]=4 6145 B17R2.103529 OCCCSc1cnc2c(cccc2c1)Cl 62a_100011215043_100000759377 [0,1,0,0,0,0|2,1,0]=4 6146 B17R2.103529 OCCCSc1cnc2c(cccc2c1)F 62a_100000049890_100011215043 [0,1,0,0,0,0|2,1,0]=4 6147 B17R2.103529 OCCCSc1cnc2c(cccc2c1)F 62a_100011215043_100000049890 [0,1,0,0,0,0|2,1,0]=4 6148 B17R2.103529 Oc1cccc2c1ccc(c2)NCCCF 34a_100000035793_100011934791 [0,1,0,0,0,0|2,0,0]=3 6149 B17R2.103529 Oc1cccc2c1ccc(c2)NCCCF 7a_100000035793_100011934791 [0,1,0,0,0,0|2,0,0]=3 6150 B17R2.103529 Oc1cccc2c1ccc(c2)SCCCF 62a_100011934791_100010202202 [0,1,0,0,0,0|1,1,0]=3 6151 B17R2.103529 Oc1ccnc2c1ccc(c2)SCCCF 62a_100011934791_100000756855 [0,1,0,0,0,0|2,1,0]=4 6152 B17R2.103529 Oc1nccc2c1ccc(c2)SCCCF 62a_100011934791_100000760485 [0,1,0,0,0,0|2,1,0]=4 6153 B15R1.78 CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210326 [0,0,1,0,0,0|2,0,0]=3 6154 B15R1.78 CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210326 [0,0,1,0,0,0|3,0,0]=4 6155 B15R1.78 CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210326 [0,0,1,0,0,0|3,0,0]=4 6156 B15R1.78 CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210326 [0,0,1,0,0,0|3,0,0]=4 6157 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 11a_100000102301_100000210462 [0,0,1,0,0,0|2,0,0]=3 6158 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 1626a_100000102301_100000210462 [0,0,1,0,0,0|2,0,0]=3 6159 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 11a_100000102301_100000740811 [0,0,1,0,0,0|3,0,0]=4 6160 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 240690a_100000102301_100000740811 [0,0,1,0,0,0|3,0,0]=4 6161 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 11a_100000102301_100000735890 [0,0,1,0,0,0|3,0,0]=4 6162 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 240690a_100000102301_100000735890 [0,0,1,0,0,0|3,0,0]=4 6163 B15R1.78 CCCCNC(=O)C=Cc1ccncc1 240690a_100000102301_100000682801 [0,0,1,0,0,0|3,0,0]=4 6164 B15R1.78 CCCCOC(=O)CNc1ccccc1 34a_100000106764_100000211628 [0,0,1,0,0,0|2,0,1]=4 6165 B15R1.78 CCCCOC(=O)COc1ccccc1 34a_100000210340_100000211628 [0,0,1,0,0,0|2,0,1]=4 6166 B15R1.78 CCCCOC(=O)COc1ccccc1 7a_100000210340_100000211628 [0,0,1,0,0,0|2,0,1]=4 6167 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000211628_100000041952 [0,0,1,0,0,0|2,0,1]=4 6168 B15R1.78 CCCCOC(=O)CSc1ccccc1 62a_100000719477_100000211628 [0,0,1,0,0,0|2,0,1]=4 6169 B15R1.78 CCCNN=C(C)C=Cc1ccccc1 4a_100000740057_100000204604 [0,0,1,0,0,0|2,0,1]=4 6170 B15R1.78 CCCNNC(=O)C=Cc1ccccc1 22a_100000740057_100000210462 [0,0,1,0,0,0|3,0,0]=4 6171 B15R1.78 CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215890 [0,0,1,0,0,0|3,0,0]=4 6172 B15R1.78 CCSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757381 [0,0,1,0,0,0|3,0,0]=4 6173 B15R1.78 COCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000740836 [0,0,1,0,0,0|3,0,0]=4 6174 B15R1.78 COCCNC(=O)C=Cc1ccccc1 1626a_100000209980_100000210462 [0,0,1,0,0,0|3,0,0]=4 6175 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 11a_100020590264_100000210462 [0,0,1,0,0,0|3,0,0]=4 6176 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 1626a_100020590264_100000210462 [0,0,1,0,0,0|3,0,0]=4 6177 B15R1.78 O=C(C=Cc1ccccc1)CCCCF 1458a_100000210462_100000729493 [0,0,1,0,0,0|3,0,0]=4 6178 B15R1.78 O=C(C=Cc1ccccc1)CCCCO 1458a_100000210462_100000210776 [0,0,1,0,0,0|3,0,0]=4 6179 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 11a_100015189416_100000210462 [0,0,1,0,0,0|3,0,0]=4 6180 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 1626a_100015189416_100000210462 [0,0,1,0,0,0|3,0,0]=4 6181 B15R1.220 CCCCCCC=Cc1ccccc1C 271570a_200015348155_100000210755 [0,0,1,0,0,0|1,0,2]=4 6182 B15R1.220 CCCCCCC=Cc1ccccc1F 271570a_200015348155_100011215700 [0,0,1,0,0,0|2,0,1]=4 6183 B15R1.220 CCCCCCC=Cc1ccccc1N 271570a_200015348155_100000210017 [0,0,1,0,0,0|2,0,1]=4 6184 B15R1.220 CCCCCCC=Cc1ccccc1O 271570a_200015348155_100000739446 [0,0,1,0,0,0|2,0,1]=4 6185 B15R1.220 CCCCNCC=Cc1ccccc1Br 270004a_100000102301_200016268969 [0,0,1,0,0,0|2,0,1]=4 6186 B15R1.220 CCCCNCC=Cc1ccccc1Cl 270004a_100000102301_200102525841 [0,0,1,0,0,0|2,0,1]=4 6187 B15R1.220 CCCCNCC=Cc1ccccc1F 270004a_100000102301_200102525844 [0,0,1,0,0,0|2,0,1]=4 6188 B15R1.220 CCCNN=CC=Cc1ccccc1Br 4a_100000740057_200016268969 [0,0,1,0,0,0|3,0,0]=4 6189 B15R1.220 CCCNN=CC=Cc1ccccc1Cl 4a_100000740057_200102525841 [0,0,1,0,0,0|3,0,0]=4 6190 B15R1.220 CCCNN=CC=Cc1ccccc1F 4a_100000740057_200102525844 [0,0,1,0,0,0|3,0,0]=4 6191 B15R1.562 C=CCNc1ccc(cc1)CCCCC 2230a_100000211775_100000210623 [0,0,1,0,0,0|2,0,1]=4 6192 B15R1.562 C=CCNc1ccc(cc1)CCCCC 34a_100000211775_100015514636 [0,0,1,0,0,0|2,0,1]=4 6193 B15R1.562 C=CCNc1ccc(cc1)CCCCC 7a_100000211775_100015514636 [0,0,1,0,0,0|2,0,1]=4 6194 B15R1.562 C=CCNc1ccc(cc1)OCCCC 2230a_100011194258_100000210623 [0,0,1,0,0,0|1,0,1]=3 6195 B15R1.562 C=CCNc1ccc(cc1)OCCCC 34a_100011194258_100015514636 [0,0,1,0,0,0|1,0,1]=3 6196 B15R1.562 C=CCNc1ccc(cc1)OCCCO 2230a_100000730458_100000210623 [0,0,1,0,0,0|2,0,1]=4 6197 B15R1.562 C=CCNc1ccc(cc1)OCCCO 34a_100000730458_100015514636 [0,0,1,0,0,0|2,0,1]=4 6198 B15R1.562 C=CCNc1ccc(cc1)OCCOC 2230a_100000739146_100000210623 [0,0,1,0,0,0|2,0,1]=4 6199 B15R1.562 C=CCNc1ccc(cc1)OCCOC 34a_100000739146_100015514636 [0,0,1,0,0,0|2,0,1]=4 6200 B15R1.562 C=CCOc1ccc(cc1)CCCCC 34a_100000179804_100015514636 [0,0,1,0,0,0|2,0,1]=4 6201 B15R1.562 C=CCOc1ccc(cc1)CCCCC 7a_100000179804_100015514636 [0,0,1,0,0,0|2,0,1]=4 6202 B15R1.562 C=CCOc1ccc(cc1)OCCCC 34a_100011215020_100015514636 [0,0,1,0,0,0|1,0,1]=3 6203 B15R1.562 C=CCOc1ccc(cc1)OCCCC 7a_100011215020_100015514636 [0,0,1,0,0,0|1,0,1]=3 6204 B15R1.562 C=CCOc1ccc(cc1)OCCOC 34a_100000726821_100015514636 [0,0,1,0,0,0|2,0,1]=4 6205 B15R1.562 C=CCOc1ccc(cc1)SCCCC 62a_100000172055_100000210210 [0,0,1,0,0,0|1,1,1]=4 6206 B15R1.562 C=CCOc1ccc(cc1)SCCCC 62a_100000210211_100000172055 [0,0,1,0,0,0|1,1,1]=4 6207 B15R1.562 C=CCSc1ccc(cc1)CCCCC 62a_100000210623_100009813665 [0,0,1,0,0,0|2,0,1]=4 6208 B15R1.562 C=CCSc1ccc(cc1)CCCCC 62a_100009813665_100000210623 [0,0,1,0,0,0|2,0,1]=4 6209 B15R1.562 C=CCSc1ccc(cc1)OCCCC 62a_100000210623_100000230682 [0,0,1,0,0,0|1,0,1]=3 6210 B15R1.562 C=CCSc1ccc(cc1)OCCCO 62a_100000210623_100000756186 [0,0,1,0,0,0|2,0,1]=4 6211 B15R1.562 C=CCSc1ccc(cc1)OCCCO 62a_100000756186_100000210623 [0,0,1,0,0,0|2,0,1]=4 6212 B15R1.562 C=CCSc1ccc(cc1)OCCOC 62a_100000210623_100000234135 [0,0,1,0,0,0|2,0,1]=4 6213 B15R1.562 C=CCSc1ccc(cc1)OCCOC 62a_100000234135_100000210623 [0,0,1,0,0,0|2,0,1]=4 6214 B15R1.562 CCCCOc1ccc(cc1)NCC=O 2230a_100011194258_200015260668 [0,0,1,0,0,0|2,0,1]=4 6215 B15R1.562 CCCCOc1ccc(cc1)NCC=O 34a_100011194258_200009817547 [0,0,1,0,0,0|2,0,1]=4 6216 B15R1.562 CCCCOc1ccc(cc1)OCC=O 34a_100011215020_200009817547 [0,0,1,0,0,0|2,0,1]=4 6217 B15R1.562 CCCCOc1ccc(cc1)OCC=O 7a_100011215020_200015260668 [0,0,1,0,0,0|2,0,1]=4 6218 B15R1.562 CCCCOc1ccc(cc1)SCC=O 62a_200015260668_100000230682 [0,0,1,0,0,0|2,0,1]=4 6219 B15R1.562 CCCCSc1ccc(cc1)/C=C/C=O 62a_100000210211_100016291818 [0,0,1,0,0,0|1,1,0]=3 6220 B15R1.562 CCCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210210 [0,0,1,0,0,0|1,1,0]=3 6221 B15R1.562 CCCCSc1ccc(cc1)C=COC 62a_100000210211_100020630460 [0,0,1,0,0,0|1,1,1]=4 6222 B15R1.562 CCCCSc1ccc(cc1)C=COC 62a_100020630460_100000210210 [0,0,1,0,0,0|1,1,1]=4 6223 B15R1.562 CCOCSc1ccc(cc1)/C=C/C=O 62a_100000739092_100016291818 [0,0,1,0,0,0|2,1,0]=4 6224 B15R1.562 CCOCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000739092 [0,0,1,0,0,0|2,1,0]=4 6225 B15R1.562 COCCSc1ccc(cc1)/C=C/C=O 62a_100000233755_100016291818 [0,0,1,0,0,0|2,1,0]=4 6226 B15R1.562 COCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000233755 [0,0,1,0,0,0|2,1,0]=4 6227 B15R1.562 CSCCSc1ccc(cc1)/C=C/C=O 62a_100000212216_100016291818 [0,0,1,0,0,0|2,1,0]=4 6228 B15R1.562 CSCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000751147 [0,0,1,0,0,0|2,1,0]=4 6229 B15R1.562 O=C/C=C/c1ccc(cc1)SCCCF 62a_100011934791_100016291818 [0,0,1,0,0,0|2,1,0]=4 6230 B15R1.562 O=C/C=C/c1ccc(cc1)SCCCF 62a_100016291818_100011934791 [0,0,1,0,0,0|2,1,0]=4 6231 B15R1.562 O=C/C=C/c1ccc(cc1)SCCCO 62a_100011215043_100016291818 [0,0,1,0,0,0|2,1,0]=4 6232 B15R1.562 O=C/C=C/c1ccc(cc1)SCCCO 62a_100016291818_100011215043 [0,0,1,0,0,0|2,1,0]=4 6233 B15R1.1045 C=Cc1ccccc1C=NNCCCC 4a_100025702795_200011996377 [0,0,1,0,0,0|2,0,0]=3 6234 B15R1.1045 C=Cc1ccccc1COCCCCC 34a_200010883148_100000718602 [0,0,1,0,0,0|2,0,1]=4 6235 B15R1.1045 C=Cc1ccccc1COCCCCC 7a_200010883148_100000210326 [0,0,1,0,0,0|2,0,1]=4 6236 B15R1.1045 C=Cc1ccccc1NCCCCCC 34a_100012022501_100000210314 [0,0,1,0,0,0|2,0,1]=4 6237 B15R1.1045 C=Cc1ccccc1NCOCCCC 34a_100012022501_100011995733 [0,0,1,0,0,0|1,0,1]=3 6238 B15R1.1045 C=Cc1ccccc1SCOCCCC 62a_100011218376_100011995733 [0,0,1,0,0,0|1,0,1]=3 6239 B15R1.1045 C=Cc1ccccc1SCOCCCC 62a_100011995733_100011218376 [0,0,1,0,0,0|1,0,1]=3 6240 B15R1.1045 C=Cc1ccccc1SCOCCOC 62a_100000231047_100011218376 [0,0,1,0,0,0|2,0,1]=4 6241 B15R1.1045 C=Cc1ccccc1SCOCCOC 62a_100011218376_100000231047 [0,0,1,0,0,0|2,0,1]=4 6242 B15R1.1045 CCCCCC=Cc1ccccc1C#N 271570a_100000062253_100000188569 [0,0,1,0,0,0|2,0,1]=4 6243 B15R1.1045 CCCCCC=Cc1ccccc1C=O 271570a_100000062253_100000211189 [0,0,1,0,0,0|2,0,0]=3 6244 B15R1.1045 CCCCCC=Cc1ccccc1CC 271570a_100000062253_100011215823 [0,0,1,0,0,0|1,0,2]=4 6245 B15R1.1045 CCCCCC=Cc1ccccc1CN 271570a_100000062253_100000689332 [0,0,1,0,0,0|2,0,1]=4 6246 B15R1.1045 CCCCCC=Cc1ccccc1CO 271570a_100000062253_100000187465 [0,0,1,0,0,0|2,0,1]=4 6247 B15R1.1045 CCCCCC=Cc1ccccc1NC 271570a_100000062253_100020606079 [0,0,1,0,0,0|2,0,1]=4 6248 B15R1.1045 CCCCCC=Cc1ccccc1NN 271570a_100000062253_100000241748 [0,0,1,0,0,0|3,0,0]=4 6249 B15R1.1045 CCCCCC=Cc1ccccc1OC 271570a_100000062253_100000174000 [0,0,1,0,0,0|2,0,1]=4 6250 B15R1.1045 CCCCCC=Cc1cccnc1C=O 271570a_100000062253_100011934733 [0,0,1,0,0,0|3,0,0]=4 6251 B15R1.1045 CCCCCC=Cc1ccncc1C=O 271570a_100000062253_100000050567 [0,0,1,0,0,0|3,0,0]=4 6252 B15R1.1045 CCCCCC=Cc1cnccc1C=O 271570a_100000062253_100011934409 [0,0,1,0,0,0|3,0,0]=4 6253 B15R1.1045 CCCCCC=Cc1ncccc1C=O 271570a_100000062253_100009816751 [0,0,1,0,0,0|3,0,0]=4 6254 B15R1.1045 CCCCOCCc1ccccc1C=O 34a_100000210227_100010186698 [0,0,1,0,0,0|1,0,2]=4 6255 B15R1.1045 CCCCOCCc1ccccc1C=O 7a_100000210227_100010186698 [0,0,1,0,0,0|1,0,2]=4 6256 B15R1.1045 CCCCOCSc1ccccc1C=O 62a_100000210073_100011995733 [0,0,1,0,0,0|2,0,1]=4 6257 B15R1.1045 CCCCOCSc1ccccc1C=O 62a_100011995733_100000210073 [0,0,1,0,0,0|2,0,1]=4 6258 B15R1.1181 C=CCNc1cccc(c1)OCCCC 2230a_100000744072_100000210623 [0,0,1,0,0,0|1,0,1]=3 6259 B15R1.1181 C=CCNc1cccc(c1)OCCCC 34a_100000744072_100015514636 [0,0,1,0,0,0|1,0,1]=3 6260 B15R1.1181 C=CCNc1cccc(c1)OCCCC 7a_100000744072_100015514636 [0,0,1,0,0,0|1,0,1]=3 6261 B15R1.1181 C=CCNc1cccc(c1)OCCOC 2230a_100000742008_100000210623 [0,0,1,0,0,0|2,0,1]=4 6262 B15R1.1181 C=CCNc1cccc(c1)OCCOC 34a_100000742008_100015514636 [0,0,1,0,0,0|2,0,1]=4 6263 B15R1.1181 C=CCNc1cccc(n1)OCCCC 27a_100020586998_200011960251 [0,0,1,0,0,0|2,0,1]=4 6264 B15R1.1181 C=CCOc1cccc(c1)OCCCC 34a_100011216386_100015514636 [0,0,1,0,0,0|1,0,1]=3 6265 B15R1.1181 C=CCOc1cccc(c1)OCCCC 7a_100011216386_100015514636 [0,0,1,0,0,0|1,0,1]=3 6266 B15R1.1181 C=CCSc1cccc(c1)OCCCC 62a_100000210623_200011212284 [0,0,1,0,0,0|1,0,1]=3 6267 B15R1.1181 C=CCSc1cccc(c1)OCCNC 62a_100000210623_200000225663 [0,0,1,0,0,0|2,0,1]=4 6268 B15R1.1181 C=CCSc1cccc(c1)OCCNC 62a_200000225663_100000210623 [0,0,1,0,0,0|2,0,1]=4 6269 B15R1.1181 C=CCSc1cccc(c1)OCCOC 62a_100000210623_100000742273 [0,0,1,0,0,0|2,0,1]=4 6270 B15R1.1181 C=CCSc1cccc(c1)OCCOC 62a_100000742273_100000210623 [0,0,1,0,0,0|2,0,1]=4 6271 B15R1.1181 C=CCSc1cccc(c1)SCCCC 62a_100000210623_100010128134 [0,0,1,0,0,0|1,1,1]=4 6272 B15R1.1181 C=CCSc1cccc(c1)SCCCC 62a_100010128134_100000210623 [0,0,1,0,0,0|1,1,1]=4 6273 B15R1.1181 C=CCSc1cccc(n1)OCCCC 62a_100000210623_200011960251 [0,0,1,0,0,0|2,0,1]=4 6274 B15R1.1181 C=CCSc1cccc(n1)OCCCC 62a_200011960251_100000210623 [0,0,1,0,0,0|2,0,1]=4 6275 B15R1.1181 CCCCOc1cccc(c1)NCC=O 2230a_100000744072_200015260668 [0,0,1,0,0,0|2,0,1]=4 6276 B15R1.1181 CCCCOc1cccc(c1)NCC=O 34a_100000744072_200009817547 [0,0,1,0,0,0|2,0,1]=4 6277 B15R1.1181 CCCCOc1cccc(c1)NCC=O 7a_100000744072_200015260668 [0,0,1,0,0,0|2,0,1]=4 6278 B15R1.1181 CCCCOc1cccc(c1)OCC=O 34a_100011216386_200009817547 [0,0,1,0,0,0|2,0,1]=4 6279 B15R1.1181 CCCCOc1cccc(c1)OCC=O 7a_100011216386_200015260668 [0,0,1,0,0,0|2,0,1]=4 6280 B15R1.1181 CCCCOc1cccc(c1)SCC=O 62a_200015260668_200011212284 [0,0,1,0,0,0|2,0,1]=4 6281 B15R1.1195 CCCCSc1ccc(c(c1)C=O)C=O 62a_200010077131_100000210210 [0,0,1,0,0,0|2,1,0]=4 6282 B15R1.1197 C=C=Cc1ccc(cc1C)OCCCC 271570a_100015277604_200012350294 [0,0,1,0,0,0|0,0,2]=3 6283 B15R1.1197 C=C=Cc1ccc(cc1F)OCCCC 271570a_100015277604_200012236941 [0,0,1,0,0,0|1,0,1]=3 6284 B15R1.1197 C=C=Cc1cnc(cc1C)OCCCC 271570a_100015277604_200013759037 [0,0,1,0,0,0|1,0,2]=4 6285 B15R1.1197 CC=Cc1ccc(cc1C)OCCCC 271570a_100016259895_200012350294 [0,0,1,0,0,0|0,0,2]=3 6286 B15R1.1197 CC=Cc1ccc(cc1F)OCCCC 271570a_100016259895_200012236941 [0,0,1,0,0,0|1,0,1]=3 6287 B15R1.1197 CC=Cc1cnc(cc1C)OCCCC 271570a_100016259895_200013759037 [0,0,1,0,0,0|1,0,2]=4 6288 B17R3.1917 C1=C(CCC1)c2cc3ccccc3cn2 271570a_100000089523_100000047361 [0,0,0,1,0,0|2,0,1]=4 6289 B17R3.1917 C1=C(CCC1)c2ccc3ccccc3c2 271570a_100000089523_100000233703 [0,0,0,1,0,0|1,0,1]=3 6290 B17R3.1917 C1=C(CCC1)c2ccc3ccccc3n2 271570a_100000089523_100011291633 [0,0,0,1,0,0|2,0,1]=4 6291 B17R3.1917 C1=C(CCC1)c2ccc3cccnc3c2 271570a_100000089523_100009816655 [0,0,0,1,0,0|2,0,1]=4 6292 B17R3.1917 C1=C(CCC1)c2ccc3ccncc3c2 271570a_100000089523_100000686496 [0,0,0,1,0,0|2,0,1]=4 6293 B17R3.1917 C1=C(CCC1)c2ccc3cnccc3c2 271570a_100000089523_100009816743 [0,0,0,1,0,0|2,0,1]=4 6294 B17R3.1917 C1=C(CCC1)c2ccc3ncccc3c2 271570a_100000089523_100000754243 [0,0,0,1,0,0|2,0,1]=4 6295 B17R3.1917 C1=C(CCC1)c2cnc3ccccc3c2 271570a_100000089523_100000737414 [0,0,0,1,0,0|2,0,1]=4 6296 B17R3.1917 C1=C(CCO1)c2ccc3ccccc3c2 271570a_100000118173_100000233703 [0,0,0,1,0,0|2,0,1]=4 6297 B17R3.1917 C1=C(COC1)c2ccc3ccccc3c2 271570a_100009872500_100000233703 [0,0,0,1,0,0|2,0,1]=4 6298 B17R3.1917 c1cc2ccc(nc2cn1)N3CCCC3 27a_100000188435_100000020162 [0,0,0,1,0,0|3,0,0]=4 6299 B17R3.1917 c1ccc2nc(ccc2c1)N3CCCC3 27a_100000188435_100011291633 [0,0,0,1,0,0|2,0,0]=3 6300 B17R3.1917 c1ccc2nc(ccc2c1)N3CCSC3 27a_100011215254_100011291633 [0,0,0,1,0,0|3,0,0]=4 6301 B17R3.1917 c1ccc2nc(cnc2c1)N3CCCC3 27a_100000188435_100000756483 [0,0,0,1,0,0|3,0,0]=4 6302 B17R3.1917 c1ccc2nc(ncc2c1)N3CCCC3 27a_100000188435_100000097389 [0,0,0,1,0,0|3,0,0]=4 6303 B17R3.1917 c1cnc2cc(ccc2n1)N3CCCC3 27a_100000188435_100011219451 [0,0,0,1,0,0|3,0,0]=4 6304 B17R3.1917 c1cnc2ccc(nc2c1)N3CCCC3 27a_100000188435_100000073381 [0,0,0,1,0,0|3,0,0]=4 6305 B17R3.1917 c1cnc2nc(ccc2c1)N3CCCC3 27a_100000188435_100000075685 [0,0,0,1,0,0|3,0,0]=4 6306 B17R3.1917 c1ncc2ccc(cc2n1)N3CCCC3 27a_100000188435_100010185614 [0,0,0,1,0,0|3,0,0]=4 6307 B17R3.2995 F[C@@H]1C[C@H]1Nc2ccc3ccccc3n2 27a_100025746932_100011291633 [0,0,0,1,0,0|3,0,0]=4 6308 B17R3.2995 F[C@H]1C[C@H]1Nc2ccc3ccccc3n2 27a_100015190264_100011291633 [0,0,0,1,0,0|3,0,0]=4 6309 B17R3.4539 CC1CCN1c2ccc3ccccc3n2 27a_100000755817_100011291633 [0,0,0,1,0,0|2,0,0]=3 6310 B17R3.4539 CC1CCN1c2ccc3cccnc3n2 27a_100000755817_100000075685 [0,0,0,1,0,0|3,0,0]=4 6311 B17R3.4539 CC1CCN1c2ccc3ccncc3n2 27a_100000755817_100000020162 [0,0,0,1,0,0|3,0,0]=4 6312 B17R3.4539 CC1CCN1c2ccc3cncnc3c2 27a_100000755817_100010185614 [0,0,0,1,0,0|3,0,0]=4 6313 B17R3.4539 CC1CCN1c2ccc3ncccc3n2 27a_100000755817_100000073381 [0,0,0,1,0,0|3,0,0]=4 6314 B17R3.4539 CC1CCN1c2ccc3nccnc3c2 27a_100000755817_100011219451 [0,0,0,1,0,0|3,0,0]=4 6315 B17R3.4539 CC1CCN1c2cnc3ccccc3n2 27a_100000755817_100000756483 [0,0,0,1,0,0|3,0,0]=4 6316 B17R3.4539 CC1CCN1c2ncc3ccccc3n2 27a_100000755817_100000097389 [0,0,0,1,0,0|3,0,0]=4 6317 B17R3.123564 c1cc2cc(ccc2cn1)CN3CCC3 269982a_100000754969_100020605334 [0,0,0,1,0,0|3,0,0]=4 6318 B17R3.123564 c1cc2cc(ccc2cn1)NC3CCC3 34a_100000039641_100000749161 [0,0,0,1,0,0|2,0,0]=3 6319 B17R3.123564 c1cc2cc(ccc2cn1)NC3COC3 34a_100000039641_100009818527 [0,0,0,1,0,0|3,0,0]=4 6320 B17R3.123564 c1cc2cc(ccc2cn1)OC3CCC3 34a_100000046372_100000749161 [0,0,0,1,0,0|1,0,0]=2 6321 B17R3.123564 c1cc2cc(ccc2cn1)OC3COC3 34a_100000046372_100009818527 [0,0,0,1,0,0|2,0,0]=3 6322 B17R3.123564 c1cc2cc(ccc2cn1)OC3COC3 7a_100000046372_100009818527 [0,0,0,1,0,0|2,0,0]=3 6323 B17R3.123564 c1cc2cc(ccc2cn1)SC3CCC3 62a_100009816743_100000749161 [0,0,0,1,0,0|1,1,0]=3 6324 B17R3.123564 c1cc2cc(ccc2cn1)SC3COC3 62a_100009816743_100009818527 [0,0,0,1,0,0|2,1,0]=4 6325 B17R3.123564 c1cc2cc(ccc2nn1)SC3CCC3 62a_100010209549_100000749161 [0,0,0,1,0,0|2,1,0]=4 6326 B17R3.123564 c1cc2ccc(cc2cn1)OC3COC3 7a_100000752006_100009818527 [0,0,0,1,0,0|2,0,0]=3 6327 B17R3.123564 c1cc2ccc(cc2cn1)SC3CCC3 62a_100000686496_100000749161 [0,0,0,1,0,0|1,1,0]=3 6328 B17R3.123564 c1cc2ccc(cc2cn1)SC3COC3 62a_100000686496_100009818527 [0,0,0,1,0,0|2,1,0]=4 6329 B17R3.123564 c1cc2ccc(nc2cn1)NC3CCC3 27a_100000749019_100000020162 [0,0,0,1,0,0|3,0,0]=4 6330 B17R3.123564 c1cc2cnncc2cc1SC3CCC3 62a_100010198781_100000749161 [0,0,0,1,0,0|2,1,0]=4 6331 B17R3.123564 c1ccc2cc(ccc2c1)CN3CCC3 269982a_100000754969_100011216711 [0,0,0,1,0,0|2,0,0]=3 6332 B17R3.123564 c1ccc2cc(ccc2c1)NC3CCC3 34a_100000211940_100000749161 [0,0,0,1,0,0|1,0,0]=2 6333 B17R3.123564 c1ccc2cc(ccc2c1)NC3COC3 34a_100000211940_100009818527 [0,0,0,1,0,0|2,0,0]=3 6334 B17R3.123564 c1ccc2cc(ccc2c1)NC3COC3 7a_100000211940_100009818527 [0,0,0,1,0,0|2,0,0]=3 6335 B17R3.123564 c1ccc2cc(ccc2c1)OC3CCC3 34a_100000185828_100000749161 [0,0,0,1,0,0|0,0,0]=1 6336 B17R3.123564 c1ccc2cc(ccc2c1)OC3COC3 34a_100000185828_100009818527 [0,0,0,1,0,0|1,0,0]=2 6337 B17R3.123564 c1ccc2cc(ccc2c1)OC3COC3 7a_100000185828_100009818527 [0,0,0,1,0,0|1,0,0]=2 6338 B17R3.123564 c1ccc2cc(ncc2c1)CN3CCC3 269982a_100000754969_100009869231 [0,0,0,1,0,0|3,0,0]=4 6339 B17R3.123564 c1ccc2cc(ncc2c1)SC3CCC3 62a_100009816522_100000749161 [0,0,0,1,0,0|1,1,0]=3 6340 B17R3.123564 c1ccc2cc(ncc2c1)SC3COC3 62a_100009816522_100009818527 [0,0,0,1,0,0|2,1,0]=4 6341 B17R3.123564 c1ccc2nc(ccc2c1)NC3CCC3 27a_100000749019_100011291633 [0,0,0,1,0,0|2,0,0]=3 6342 B17R3.123564 c1ccc2nc(ccc2c1)NC3COC3 27a_100016991112_100011291633 [0,0,0,1,0,0|3,0,0]=4 6343 B17R3.123564 c1ccc2nc(ccc2c1)NC3CSC3 27a_100016994217_100011291633 [0,0,0,1,0,0|3,0,0]=4 6344 B17R3.123564 c1ccc2nc(ccc2c1)SC3CCC3 62a_100011291633_100000749161 [0,0,0,1,0,0|1,1,0]=3 6345 B17R3.123564 c1ccc2nc(ccc2c1)SC3COC3 62a_100011291633_100009818527 [0,0,0,1,0,0|2,1,0]=4 6346 B17R3.123564 c1ccc2nc(cnc2c1)NC3CCC3 27a_100000749019_100000756483 [0,0,0,1,0,0|3,0,0]=4 6347 B17R3.123564 c1ccc2nc(cnc2c1)SC3CCC3 62a_100000756483_100000749161 [0,0,0,1,0,0|2,1,0]=4 6348 B17R3.123564 c1ccc2nc(ncc2c1)NC3CCC3 27a_100000749019_100000097389 [0,0,0,1,0,0|3,0,0]=4 6349 B17R3.123564 c1ccc2ncc(cc2c1)OC3CCC3 34a_100011934006_100000749161 [0,0,0,1,0,0|1,0,0]=2 6350 B17R3.123564 c1ccc2ncc(cc2c1)OC3COC3 34a_100011934006_100009818527 [0,0,0,1,0,0|2,0,0]=3 6351 B17R3.123564 c1ccc2ncc(cc2c1)OC3COC3 7a_100011934006_100009818527 [0,0,0,1,0,0|2,0,0]=3 6352 B17R3.123564 c1cnc2cc(ccc2c1)NC3CCC3 34a_100102887122_100000749161 [0,0,0,1,0,0|2,0,0]=3 6353 B17R3.123564 c1cnc2cc(ccc2c1)NC3COC3 34a_100102887122_100009818527 [0,0,0,1,0,0|3,0,0]=4 6354 B17R3.123564 c1cnc2cc(ccc2c1)OC3CCC3 34a_100011216045_100000749161 [0,0,0,1,0,0|1,0,0]=2 6355 B17R3.123564 c1cnc2cc(ccc2c1)OC3COC3 34a_100011216045_100009818527 [0,0,0,1,0,0|2,0,0]=3 6356 B17R3.123564 c1cnc2cc(ccc2n1)NC3CCC3 27a_100000749019_100011219451 [0,0,0,1,0,0|3,0,0]=4 6357 B17R3.123564 c1cnc2cc(ccc2n1)NC3CCC3 34a_100011219565_100000749161 [0,0,0,1,0,0|3,0,0]=4 6358 B17R3.123564 c1cnc2cc(ccc2n1)OC3CCC3 34a_100000694412_100000749161 [0,0,0,1,0,0|2,0,0]=3 6359 B17R3.123564 c1cnc2cc(ccc2n1)OC3COC3 34a_100000694412_100009818527 [0,0,0,1,0,0|3,0,0]=4 6360 B17R3.123564 c1cnc2cc(ccc2n1)SC3CCC3 62a_100011219451_100000749161 [0,0,0,1,0,0|2,1,0]=4 6361 B17R3.123564 c1cnc2cc(cnc2c1)SC3CCC3 62a_100010246316_100000749161 [0,0,0,1,0,0|2,1,0]=4 6362 B17R3.123564 c1cnc2ccc(cc2c1)CN3CCC3 269982a_100000754969_100000703657 [0,0,0,1,0,0|3,0,0]=4 6363 B17R3.123564 c1cnc2ccc(cc2c1)NC3CCC3 34a_100011198106_100000749161 [0,0,0,1,0,0|2,0,0]=3 6364 B17R3.123564 c1cnc2ccc(cc2c1)NC3COC3 34a_100011198106_100009818527 [0,0,0,1,0,0|3,0,0]=4 6365 B17R3.123564 c1cnc2ccc(cc2c1)OC3CCC3 34a_100011215586_100000749161 [0,0,0,1,0,0|1,0,0]=2 6366 B17R3.123564 c1cnc2ccc(cc2c1)OC3COC3 34a_100011215586_100009818527 [0,0,0,1,0,0|2,0,0]=3 6367 B17R3.123564 c1cnc2ccc(cc2c1)OC3COC3 7a_100011215586_100009818527 [0,0,0,1,0,0|2,0,0]=3 6368 B17R3.123564 c1cnc2ccc(cc2c1)SC3CCC3 62a_100011215947_100000749161 [0,0,0,1,0,0|1,1,0]=3 6369 B17R3.123564 c1cnc2ccc(cc2c1)SC3COC3 62a_100011215947_100009818527 [0,0,0,1,0,0|2,1,0]=4 6370 B17R3.123564 c1cnc2ccc(nc2c1)NC3CCC3 27a_100000749019_100000073381 [0,0,0,1,0,0|3,0,0]=4 6371 B17R3.123564 c1cnc2nc(ccc2c1)NC3CCC3 27a_100000749019_100000075685 [0,0,0,1,0,0|3,0,0]=4 6372 B17R3.123564 c1cnc2nc(ccc2c1)SC3CCC3 62a_100000075685_100000749161 [0,0,0,1,0,0|2,1,0]=4 6373 B17R3.123564 c1ncc2cc(ccc2n1)SC3CCC3 62a_100009989443_100000749161 [0,0,0,1,0,0|2,1,0]=4 6374 B17R3.123564 c1ncc2ccc(cc2n1)NC3CCC3 27a_100000749019_100010185614 [0,0,0,1,0,0|3,0,0]=4 6375 B17R3.123564 c1ncc2ccc(cc2n1)SC3CCC3 62a_100010185614_100000749161 [0,0,0,1,0,0|2,1,0]=4 6376 B17R3.648661 C(#CC1CC1)c2cc3ccccc3cn2 271570a_200009880635_100000047361 [0,0,0,1,0,0|2,0,1]=4 6377 B17R3.648661 C(#CC1CC1)c2ccc3ccccc3c2 271570a_200009880635_100000233703 [0,0,0,1,0,0|1,0,1]=3 6378 B17R3.648661 C(#CC1CC1)c2ccc3ccccc3n2 271570a_200009880635_100011291633 [0,0,0,1,0,0|2,0,1]=4 6379 B17R3.648661 C(#CC1CC1)c2ccc3cccnc3c2 271570a_200009880635_100009816655 [0,0,0,1,0,0|2,0,1]=4 6380 B17R3.648661 C(#CC1CC1)c2ccc3ccncc3c2 271570a_200009880635_100000686496 [0,0,0,1,0,0|2,0,1]=4 6381 B17R3.648661 C(#CC1CC1)c2ccc3cnccc3c2 271570a_200009880635_100009816743 [0,0,0,1,0,0|2,0,1]=4 6382 B17R3.648661 C(#CC1CC1)c2ccc3ncccc3c2 271570a_200009880635_100000754243 [0,0,0,1,0,0|2,0,1]=4 6383 B17R3.648661 C(#CC1CC1)c2cnc3ccccc3c2 271570a_200009880635_100000737414 [0,0,0,1,0,0|2,0,1]=4 6384 B17R3.648661 C(=CC1CC1)c2cc3ccccc3cn2 271570a_100102526188_100000047361 [0,0,0,1,0,0|2,0,1]=4 6385 B17R3.648661 C(=CC1CC1)c2ccc3ccccc3c2 271570a_100102526188_100000233703 [0,0,0,1,0,0|1,0,1]=3 6386 B17R3.648661 C(=CC1CC1)c2ccc3ccccc3n2 271570a_100102526188_100011291633 [0,0,0,1,0,0|2,0,1]=4 6387 B17R3.648661 C(=CC1CC1)c2ccc3cccnc3c2 271570a_100102526188_100009816655 [0,0,0,1,0,0|2,0,1]=4 6388 B17R3.648661 C(=CC1CC1)c2ccc3ccncc3c2 271570a_100102526188_100000686496 [0,0,0,1,0,0|2,0,1]=4 6389 B17R3.648661 C(=CC1CC1)c2ccc3cnccc3c2 271570a_100102526188_100009816743 [0,0,0,1,0,0|2,0,1]=4 6390 B17R3.648661 C(=CC1CC1)c2ccc3ncccc3c2 271570a_100102526188_100000754243 [0,0,0,1,0,0|2,0,1]=4 6391 B17R3.648661 C(=CC1CC1)c2cnc3ccccc3c2 271570a_100102526188_100000737414 [0,0,0,1,0,0|2,0,1]=4 6392 B17R3.648661 c1cc2cc(ccc2cn1)CNC3CC3 34a_100000212008_100020605334 [0,0,0,1,0,0|3,0,0]=4 6393 B17R3.648661 c1cc2cc(ccc2cn1)CSC3CC3 62a_100020605334_100000211595 [0,0,0,1,0,0|3,0,0]=4 6394 B17R3.648661 c1cc2cc(ccc2cn1)NCC3CC3 34a_100000039641_100000742324 [0,0,0,1,0,0|2,0,0]=3 6395 B17R3.648661 c1cc2cc(ccc2cn1)NCC3CO3 34a_100000039641_102125554688 [0,0,0,1,0,0|3,0,0]=4 6396 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CC3 34a_100000046372_100000742324 [0,0,0,1,0,0|1,0,0]=2 6397 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CC3 7a_100000046372_100000742324 [0,0,0,1,0,0|1,0,0]=2 6398 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CO3 34a_100000046372_102125554688 [0,0,0,1,0,0|2,0,0]=3 6399 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CO3 7a_100000046372_102125554688 [0,0,0,1,0,0|2,0,0]=3 6400 B17R3.648661 c1cc2cc(ccc2cn1)OCC3CS3 7a_100000046372_100000031435 [0,0,0,1,0,0|2,0,0]=3 6401 B17R3.648661 c1cc2cc(ccc2cn1)OC[C@@H]3CO3 7a_100000046372_100000745022 [0,0,0,1,0,0|2,0,0]=3 6402 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CC3 62a_100000756562_100009816743 [0,0,0,1,0,0|1,1,0]=3 6403 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CC3 62a_100009816743_100000742324 [0,0,0,1,0,0|1,1,0]=3 6404 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CO3 62a_100009816743_102125554688 [0,0,0,1,0,0|2,1,0]=4 6405 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CO3 62a_102125554688_100009816743 [0,0,0,1,0,0|2,1,0]=4 6406 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CS3 62a_100000031435_100009816743 [0,0,0,1,0,0|2,1,0]=4 6407 B17R3.648661 c1cc2cc(ccc2cn1)SCC3CS3 62a_100009816743_100000031435 [0,0,0,1,0,0|2,1,0]=4 6408 B17R3.648661 c1cc2cc(ccc2cn1)SC[C@@H]3CO3 62a_100000745022_100009816743 [0,0,0,1,0,0|2,1,0]=4 6409 B17R3.648661 c1cc2cc(ccc2cn1)SC[C@@H]3CO3 62a_100009816743_100000745022 [0,0,0,1,0,0|2,1,0]=4 6410 B17R3.648661 c1cc2cc(ccc2nn1)SCC3CC3 62a_100000756562_100010209549 [0,0,0,1,0,0|2,1,0]=4 6411 B17R3.648661 c1cc2cc(ccc2nn1)SCC3CC3 62a_100010209549_100000742324 [0,0,0,1,0,0|2,1,0]=4 6412 B17R3.648661 c1cc2ccc(cc2cn1)OCC3CC3 7a_100000752006_100000742324 [0,0,0,1,0,0|1,0,0]=2 6413 B17R3.648661 c1cc2ccc(cc2cn1)OCC3CO3 7a_100000752006_102125554688 [0,0,0,1,0,0|2,0,0]=3 6414 B17R3.648661 c1cc2ccc(cc2cn1)OCC3CS3 7a_100000752006_100000031435 [0,0,0,1,0,0|2,0,0]=3 6415 B17R3.648661 c1cc2ccc(cc2cn1)OC[C@@H]3CO3 7a_100000752006_100000745022 [0,0,0,1,0,0|2,0,0]=3 6416 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CC3 62a_100000686496_100000742324 [0,0,0,1,0,0|1,1,0]=3 6417 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CC3 62a_100000756562_100000686496 [0,0,0,1,0,0|1,1,0]=3 6418 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CO3 62a_100000686496_102125554688 [0,0,0,1,0,0|2,1,0]=4 6419 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CO3 62a_102125554688_100000686496 [0,0,0,1,0,0|2,1,0]=4 6420 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CS3 62a_100000031435_100000686496 [0,0,0,1,0,0|2,1,0]=4 6421 B17R3.648661 c1cc2ccc(cc2cn1)SCC3CS3 62a_100000686496_100000031435 [0,0,0,1,0,0|2,1,0]=4 6422 B17R3.648661 c1cc2ccc(cc2cn1)SC[C@@H]3CO3 62a_100000686496_100000745022 [0,0,0,1,0,0|2,1,0]=4 6423 B17R3.648661 c1cc2ccc(cc2cn1)SC[C@@H]3CO3 62a_100000745022_100000686496 [0,0,0,1,0,0|2,1,0]=4 6424 B17R3.648661 c1cc2ccc(nc2cn1)NCC3CC3 27a_100000735609_100000020162 [0,0,0,1,0,0|3,0,0]=4 6425 B17R3.648661 c1cc2ccc(nc2cn1)SCC3CC3 62a_100000756562_100000020162 [0,0,0,1,0,0|2,1,0]=4 6426 B17R3.648661 c1cc2cnncc2cc1SCC3CC3 62a_100000756562_100010198781 [0,0,0,1,0,0|2,1,0]=4 6427 B17R3.648661 c1cc2cnncc2cc1SCC3CC3 62a_100010198781_100000742324 [0,0,0,1,0,0|2,1,0]=4 6428 B17R3.648661 c1ccc2cc(ccc2c1)CNC3CC3 34a_100000212008_100011216711 [0,0,0,1,0,0|2,0,0]=3 6429 B17R3.648661 c1ccc2cc(ccc2c1)CNC3CC3 34a_100000739491_100000211595 [0,0,0,1,0,0|2,0,0]=3 6430 B17R3.648661 c1ccc2cc(ccc2c1)COC3CC3 34a_100011215330_100000211595 [0,0,0,1,0,0|2,0,0]=3 6431 B17R3.648661 c1ccc2cc(ccc2c1)CSC3CC3 62a_100011216711_100000211595 [0,0,0,1,0,0|2,0,0]=3 6432 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CC3 34a_100000211940_100000742324 [0,0,0,1,0,0|1,0,0]=2 6433 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CC3 7a_100000211940_100000742324 [0,0,0,1,0,0|1,0,0]=2 6434 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CO3 34a_100000211940_102125554688 [0,0,0,1,0,0|2,0,0]=3 6435 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CO3 7a_100000211940_102125554688 [0,0,0,1,0,0|2,0,0]=3 6436 B17R3.648661 c1ccc2cc(ccc2c1)NCC3CS3 7a_100000211940_100000031435 [0,0,0,1,0,0|2,0,0]=3 6437 B17R3.648661 c1ccc2cc(ccc2c1)NC[C@@H]3CO3 7a_100000211940_100000745022 [0,0,0,1,0,0|2,0,0]=3 6438 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CC3 34a_100000185828_100000742324 [0,0,0,1,0,0|0,0,0]=1 6439 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CC3 7a_100000185828_100000742324 [0,0,0,1,0,0|0,0,0]=1 6440 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CO3 34a_100000185828_102125554688 [0,0,0,1,0,0|1,0,0]=2 6441 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CO3 7a_100000185828_102125554688 [0,0,0,1,0,0|1,0,0]=2 6442 B17R3.648661 c1ccc2cc(ccc2c1)OCC3CS3 7a_100000185828_100000031435 [0,0,0,1,0,0|1,0,0]=2 6443 B17R3.648661 c1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000185828_100000745022 [0,0,0,1,0,0|1,0,0]=2 6444 B17R3.648661 c1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100000233703 [0,0,0,1,0,0|0,1,0]=2 6445 B17R3.648661 c1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100000233703 [0,0,0,1,0,0|1,1,0]=3 6446 B17R3.648661 c1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100000233703 [0,0,0,1,0,0|1,1,0]=3 6447 B17R3.648661 c1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100000233703 [0,0,0,1,0,0|1,1,0]=3 6448 B17R3.648661 c1ccc2cc(ncc2c1)CNC3CC3 34a_100000212008_100009869231 [0,0,0,1,0,0|3,0,0]=4 6449 B17R3.648661 c1ccc2cc(ncc2c1)CSC3CC3 62a_100009869231_100000211595 [0,0,0,1,0,0|3,0,0]=4 6450 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CC3 62a_100000756562_100000047361 [0,0,0,1,0,0|1,1,0]=3 6451 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CC3 62a_100009816522_100000742324 [0,0,0,1,0,0|1,1,0]=3 6452 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CO3 62a_100009816522_102125554688 [0,0,0,1,0,0|2,1,0]=4 6453 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CO3 62a_102125554688_100000047361 [0,0,0,1,0,0|2,1,0]=4 6454 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CS3 62a_100000031435_100000047361 [0,0,0,1,0,0|2,1,0]=4 6455 B17R3.648661 c1ccc2cc(ncc2c1)SCC3CS3 62a_100009816522_100000031435 [0,0,0,1,0,0|2,1,0]=4 6456 B17R3.648661 c1ccc2cc(ncc2c1)SC[C@@H]3CO3 62a_100000745022_100000047361 [0,0,0,1,0,0|2,1,0]=4 6457 B17R3.648661 c1ccc2cc(ncc2c1)SC[C@@H]3CO3 62a_100009816522_100000745022 [0,0,0,1,0,0|2,1,0]=4 6458 B17R3.648661 c1ccc2nc(ccc2c1)CNC3CC3 34a_100000212008_100000737579 [0,0,0,1,0,0|3,0,0]=4 6459 B17R3.648661 c1ccc2nc(ccc2c1)CSC3CC3 62a_100000737579_100000211595 [0,0,0,1,0,0|3,0,0]=4 6460 B17R3.648661 c1ccc2nc(ccc2c1)NCC3CC3 27a_100000735609_100011291633 [0,0,0,1,0,0|2,0,0]=3 6461 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100011291633 [0,0,0,1,0,0|1,1,0]=3 6462 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CC3 62a_100011291633_100000742324 [0,0,0,1,0,0|1,1,0]=3 6463 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CO3 62a_100011291633_102125554688 [0,0,0,1,0,0|2,1,0]=4 6464 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CO3 62a_102125554688_100011291633 [0,0,0,1,0,0|2,1,0]=4 6465 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CS3 62a_100000031435_100011291633 [0,0,0,1,0,0|2,1,0]=4 6466 B17R3.648661 c1ccc2nc(ccc2c1)SCC3CS3 62a_100011291633_100000031435 [0,0,0,1,0,0|2,1,0]=4 6467 B17R3.648661 c1ccc2nc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100011291633 [0,0,0,1,0,0|2,1,0]=4 6468 B17R3.648661 c1ccc2nc(ccc2c1)SC[C@@H]3CO3 62a_100011291633_100000745022 [0,0,0,1,0,0|2,1,0]=4 6469 B17R3.648661 c1ccc2nc(cnc2c1)NCC3CC3 27a_100000735609_100000756483 [0,0,0,1,0,0|3,0,0]=4 6470 B17R3.648661 c1ccc2nc(cnc2c1)SCC3CC3 62a_100000756483_100000742324 [0,0,0,1,0,0|2,1,0]=4 6471 B17R3.648661 c1ccc2nc(cnc2c1)SCC3CC3 62a_100000756562_100000756483 [0,0,0,1,0,0|2,1,0]=4 6472 B17R3.648661 c1ccc2nc(ncc2c1)NCC3CC3 27a_100000735609_100000097389 [0,0,0,1,0,0|3,0,0]=4 6473 B17R3.648661 c1ccc2nc(ncc2c1)SCC3CC3 62a_100000756562_100000097389 [0,0,0,1,0,0|2,1,0]=4 6474 B17R3.648661 c1ccc2ncc(cc2c1)CNC3CC3 34a_100000742225_100000211595 [0,0,0,1,0,0|3,0,0]=4 6475 B17R3.648661 c1ccc2ncc(cc2c1)COC3CC3 34a_100011258773_100000211595 [0,0,0,1,0,0|3,0,0]=4 6476 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CC3 34a_100011934006_100000742324 [0,0,0,1,0,0|1,0,0]=2 6477 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CC3 7a_100011934006_100000742324 [0,0,0,1,0,0|1,0,0]=2 6478 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CO3 34a_100011934006_102125554688 [0,0,0,1,0,0|2,0,0]=3 6479 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CO3 7a_100011934006_102125554688 [0,0,0,1,0,0|2,0,0]=3 6480 B17R3.648661 c1ccc2ncc(cc2c1)OCC3CS3 7a_100011934006_100000031435 [0,0,0,1,0,0|2,0,0]=3 6481 B17R3.648661 c1ccc2ncc(cc2c1)OC[C@@H]3CO3 7a_100011934006_100000745022 [0,0,0,1,0,0|2,0,0]=3 6482 B17R3.648661 c1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100000737414 [0,0,0,1,0,0|1,1,0]=3 6483 B17R3.648661 c1ccc2ncc(cc2c1)SCC3CO3 62a_102125554688_100000737414 [0,0,0,1,0,0|2,1,0]=4 6484 B17R3.648661 c1ccc2ncc(cc2c1)SCC3CS3 62a_100000031435_100000737414 [0,0,0,1,0,0|2,1,0]=4 6485 B17R3.648661 c1ccc2ncc(cc2c1)SC[C@@H]3CO3 62a_100000745022_100000737414 [0,0,0,1,0,0|2,1,0]=4 6486 B17R3.648661 c1cnc2cc(ccc2c1)NCC3CC3 34a_100102887122_100000742324 [0,0,0,1,0,0|2,0,0]=3 6487 B17R3.648661 c1cnc2cc(ccc2c1)NCC3CO3 34a_100102887122_102125554688 [0,0,0,1,0,0|3,0,0]=4 6488 B17R3.648661 c1cnc2cc(ccc2c1)OCC3CC3 34a_100011216045_100000742324 [0,0,0,1,0,0|1,0,0]=2 6489 B17R3.648661 c1cnc2cc(ccc2c1)OCC3CO3 34a_100011216045_102125554688 [0,0,0,1,0,0|2,0,0]=3 6490 B17R3.648661 c1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_100009816655 [0,0,0,1,0,0|1,1,0]=3 6491 B17R3.648661 c1cnc2cc(ccc2c1)SCC3CO3 62a_102125554688_100009816655 [0,0,0,1,0,0|2,1,0]=4 6492 B17R3.648661 c1cnc2cc(ccc2c1)SCC3CS3 62a_100000031435_100009816655 [0,0,0,1,0,0|2,1,0]=4 6493 B17R3.648661 c1cnc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100009816655 [0,0,0,1,0,0|2,1,0]=4 6494 B17R3.648661 c1cnc2cc(ccc2n1)NCC3CC3 27a_100000735609_100011219451 [0,0,0,1,0,0|3,0,0]=4 6495 B17R3.648661 c1cnc2cc(ccc2n1)NCC3CC3 34a_100011219565_100000742324 [0,0,0,1,0,0|3,0,0]=4 6496 B17R3.648661 c1cnc2cc(ccc2n1)OCC3CC3 34a_100000694412_100000742324 [0,0,0,1,0,0|2,0,0]=3 6497 B17R3.648661 c1cnc2cc(ccc2n1)OCC3CO3 34a_100000694412_102125554688 [0,0,0,1,0,0|3,0,0]=4 6498 B17R3.648661 c1cnc2cc(ccc2n1)SCC3CC3 62a_100000756562_100011219451 [0,0,0,1,0,0|2,1,0]=4 6499 B17R3.648661 c1cnc2cc(ccc2n1)SCC3CC3 62a_100011219451_100000742324 [0,0,0,1,0,0|2,1,0]=4 6500 B17R3.648661 c1cnc2cc(cnc2c1)SCC3CC3 62a_100000756562_100010246316 [0,0,0,1,0,0|2,1,0]=4 6501 B17R3.648661 c1cnc2cc(cnc2c1)SCC3CC3 62a_100010246316_100000742324 [0,0,0,1,0,0|2,1,0]=4 6502 B17R3.648661 c1cnc2ccc(cc2c1)CNC3CC3 34a_100000212008_100000703657 [0,0,0,1,0,0|3,0,0]=4 6503 B17R3.648661 c1cnc2ccc(cc2c1)CNC3CC3 34a_100000238500_100000211595 [0,0,0,1,0,0|3,0,0]=4 6504 B17R3.648661 c1cnc2ccc(cc2c1)COC3CC3 34a_100011315636_100000211595 [0,0,0,1,0,0|3,0,0]=4 6505 B17R3.648661 c1cnc2ccc(cc2c1)CSC3CC3 62a_100000703657_100000211595 [0,0,0,1,0,0|3,0,0]=4 6506 B17R3.648661 c1cnc2ccc(cc2c1)NCC3CC3 34a_100011198106_100000742324 [0,0,0,1,0,0|2,0,0]=3 6507 B17R3.648661 c1cnc2ccc(cc2c1)NCC3CO3 34a_100011198106_102125554688 [0,0,0,1,0,0|3,0,0]=4 6508 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CC3 34a_100011215586_100000742324 [0,0,0,1,0,0|1,0,0]=2 6509 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CC3 7a_100011215586_100000742324 [0,0,0,1,0,0|1,0,0]=2 6510 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CO3 34a_100011215586_102125554688 [0,0,0,1,0,0|2,0,0]=3 6511 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CO3 7a_100011215586_102125554688 [0,0,0,1,0,0|2,0,0]=3 6512 B17R3.648661 c1cnc2ccc(cc2c1)OCC3CS3 7a_100011215586_100000031435 [0,0,0,1,0,0|2,0,0]=3 6513 B17R3.648661 c1cnc2ccc(cc2c1)OC[C@@H]3CO3 7a_100011215586_100000745022 [0,0,0,1,0,0|2,0,0]=3 6514 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CC3 62a_100000756562_100011215947 [0,0,0,1,0,0|1,1,0]=3 6515 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CC3 62a_100011215947_100000742324 [0,0,0,1,0,0|1,1,0]=3 6516 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CO3 62a_100011215947_102125554688 [0,0,0,1,0,0|2,1,0]=4 6517 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CO3 62a_102125554688_100011215947 [0,0,0,1,0,0|2,1,0]=4 6518 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CS3 62a_100000031435_100011215947 [0,0,0,1,0,0|2,1,0]=4 6519 B17R3.648661 c1cnc2ccc(cc2c1)SCC3CS3 62a_100011215947_100000031435 [0,0,0,1,0,0|2,1,0]=4 6520 B17R3.648661 c1cnc2ccc(cc2c1)SC[C@@H]3CO3 62a_100000745022_100011215947 [0,0,0,1,0,0|2,1,0]=4 6521 B17R3.648661 c1cnc2ccc(cc2c1)SC[C@@H]3CO3 62a_100011215947_100000745022 [0,0,0,1,0,0|2,1,0]=4 6522 B17R3.648661 c1cnc2ccc(nc2c1)NCC3CC3 27a_100000735609_100000073381 [0,0,0,1,0,0|3,0,0]=4 6523 B17R3.648661 c1cnc2ccc(nc2c1)SCC3CC3 62a_100000756562_100000073381 [0,0,0,1,0,0|2,1,0]=4 6524 B17R3.648661 c1cnc2nc(ccc2c1)NCC3CC3 27a_100000735609_100000075685 [0,0,0,1,0,0|3,0,0]=4 6525 B17R3.648661 c1cnc2nc(ccc2c1)SCC3CC3 62a_100000075685_100000742324 [0,0,0,1,0,0|2,1,0]=4 6526 B17R3.648661 c1cnc2nc(ccc2c1)SCC3CC3 62a_100000756562_100000075685 [0,0,0,1,0,0|2,1,0]=4 6527 B17R3.648661 c1ncc2cc(ccc2n1)SCC3CC3 62a_100000756562_100009989443 [0,0,0,1,0,0|2,1,0]=4 6528 B17R3.648661 c1ncc2cc(ccc2n1)SCC3CC3 62a_100009989443_100000742324 [0,0,0,1,0,0|2,1,0]=4 6529 B17R3.648661 c1ncc2ccc(cc2n1)NCC3CC3 27a_100000735609_100010185614 [0,0,0,1,0,0|3,0,0]=4 6530 B17R3.648661 c1ncc2ccc(cc2n1)SCC3CC3 62a_100000756562_100010185614 [0,0,0,1,0,0|2,1,0]=4 6531 B17R3.648661 c1ncc2ccc(cc2n1)SCC3CC3 62a_100010185614_100000742324 [0,0,0,1,0,0|2,1,0]=4 6532 B15R2.5 C#CCCOc1csc2c1cccc2 34a_100000077758_100000688953 [0,0,0,0,1,0|1,0,2]=4 6533 B15R2.5 C#CCCOc1csc2c1cccc2 7a_100000077758_100000688953 [0,0,0,0,1,0|1,0,2]=4 6534 B15R2.5 C/C=C/COc1csc2c1cccc2 34a_100000077758_100102629194 [0,0,0,0,1,0|1,0,2]=4 6535 B15R2.5 C/C=C/COc1csc2c1cccc2 7a_100000077758_100102629194 [0,0,0,0,1,0|1,0,2]=4 6536 B15R2.5 C=CCCOc1csc2c1cccc2 34a_100000077758_100000754431 [0,0,0,0,1,0|1,0,2]=4 6537 B15R2.5 C=CCCOc1csc2c1cccc2 7a_100000077758_100000754431 [0,0,0,0,1,0|1,0,2]=4 6538 B15R2.5 CC#CCOc1csc2c1cccc2 34a_100000077758_100000748600 [0,0,0,0,1,0|1,0,2]=4 6539 B15R2.5 CC#CCOc1csc2c1cccc2 7a_100000077758_100000748600 [0,0,0,0,1,0|1,0,2]=4 6540 B15R2.5 CC=CCOc1csc2c1cccc2 34a_100000077758_100000070051 [0,0,0,0,1,0|1,0,2]=4 6541 B15R2.5 CC=CCOc1csc2c1cccc2 7a_100000077758_100000070051 [0,0,0,0,1,0|1,0,2]=4 6542 B15R2.5 CCCC=Cc1coc2c1cccc2 271570a_100016258520_100009812202 [0,0,0,0,1,0|2,0,1]=4 6543 B15R2.5 CCCC=Cc1csc2c1cccc2 271570a_100016258520_100009813928 [0,0,0,0,1,0|2,0,1]=4 6544 B15R2.5 CCCCOC1CCc2c1cccc2 34a_100000212247_100000210210 [0,0,0,0,1,0|0,0,3]=4 6545 B15R2.5 CCCCOC1CCc2c1cccc2 7a_100000212247_100000210211 [0,0,0,0,1,0|0,0,3]=4 6546 B15R2.5 CCCCOc1csc2c1cccc2 34a_100000077758_100000210210 [0,0,0,0,1,0|1,0,0]=2 6547 B15R2.5 CCCCOc1csc2c1cccc2 7a_100000077758_100000210211 [0,0,0,0,1,0|1,0,0]=2 6548 B15R2.5 CCCCSc1c[nH]c2c1cccn2 62a_100000210211_100011934613 [0,0,0,0,1,0|2,1,0]=4 6549 B15R2.5 CCCCSc1c[nH]c2c1ccnc2 62a_100000210211_100010232032 [0,0,0,0,1,0|2,1,0]=4 6550 B15R2.5 CCCCSc1c[nH]c2c1cncc2 62a_100000210211_100000753697 [0,0,0,0,1,0|2,1,0]=4 6551 B15R2.5 CCCCSc1c[nH]c2c1nccc2 62a_100000210211_100009817151 [0,0,0,0,1,0|2,1,0]=4 6552 B15R2.5 CCCCSc1cnc2n1cccc2 62a_100000210211_100011219245 [0,0,0,0,1,0|2,1,0]=4 6553 B15R2.5 CCCCSc1cnn2c1cccc2 62a_100000210211_100009817726 [0,0,0,0,1,0|2,1,0]=4 6554 B15R2.5 CCCCSc1coc2c1cccc2 62a_100000210211_100009812202 [0,0,0,0,1,0|1,1,0]=3 6555 B15R2.5 CCCCSc1coc2c1nccc2 62a_100000210211_100009889148 [0,0,0,0,1,0|2,1,0]=4 6556 B15R2.5 CCCCSc1csc2c1cccc2 62a_100000210211_100009813928 [0,0,0,0,1,0|1,1,0]=3 6557 B15R2.5 CCCCSc1csc2c1cccn2 62a_100000210211_100009830249 [0,0,0,0,1,0|2,1,0]=4 6558 B15R2.5 CCCCSc1csc2c1cccn2 62a_100009830249_100000210210 [0,0,0,0,1,0|2,1,0]=4 6559 B15R2.5 CCCCSc1csc2c1ccnc2 62a_100000210211_100009817111 [0,0,0,0,1,0|2,1,0]=4 6560 B15R2.5 CCCCSc1csc2c1ccnc2 62a_100009817111_100000210210 [0,0,0,0,1,0|2,1,0]=4 6561 B15R2.5 CCCCSc1csc2c1cncc2 62a_100000210211_100010247091 [0,0,0,0,1,0|2,1,0]=4 6562 B15R2.5 CCCCSc1csc2c1cncc2 62a_100010247091_100000210210 [0,0,0,0,1,0|2,1,0]=4 6563 B15R2.5 CCCCSc1csc2c1nccc2 62a_100000210211_100010247092 [0,0,0,0,1,0|2,1,0]=4 6564 B15R2.5 CCCCSc1n[nH]c2c1cccc2 62a_100000210211_100000050141 [0,0,0,0,1,0|2,1,0]=4 6565 B15R2.5 CCCCSc1ncn2c1cccc2 62a_100000210211_100010892795 [0,0,0,0,1,0|2,1,0]=4 6566 B15R2.5 CCCCSc1noc2c1cccc2 62a_100000210211_200000703156 [0,0,0,0,1,0|2,1,0]=4 6567 B15R2.5 CCCCSc1noc2c1cccc2 62a_200000703156_100000210210 [0,0,0,0,1,0|2,1,0]=4 6568 B15R2.5 CCCNCc1coc2c1cccc2 207a_100020643023_100000688544 [0,0,0,0,1,0|3,0,0]=4 6569 B15R2.5 CCCNCc1coc2c1cccc2 270004a_100020643023_100000688544 [0,0,0,0,1,0|3,0,0]=4 6570 B15R2.5 CCCNCc1csc2c1cccc2 207a_100020643023_100000239721 [0,0,0,0,1,0|3,0,0]=4 6571 B15R2.5 CCCNCc1csc2c1cccc2 270004a_100020643023_100000239721 [0,0,0,0,1,0|3,0,0]=4 6572 B15R2.5 CCCNCc1csc2c1cccc2 34a_100000744611_100000210303 [0,0,0,0,1,0|3,0,0]=4 6573 B15R2.5 CCCOCc1csc2c1cccc2 34a_100000210258_200000742921 [0,0,0,0,1,0|3,0,0]=4 6574 B15R2.5 CCCOCc1csc2c1cccc2 34a_100011219454_100000210303 [0,0,0,0,1,0|3,0,0]=4 6575 B15R2.5 CCCSCc1csc2c1cccc2 62a_100000210303_200000742921 [0,0,0,0,1,0|3,0,0]=4 6576 B15R2.5 CCCSCc1csc2c1cccc2 62a_200000742921_100000210303 [0,0,0,0,1,0|3,0,0]=4 6577 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210202 [0,0,0,0,1,0|3,0,0]=4 6578 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100015525214_100011218569 [0,0,0,0,1,0|3,0,0]=4 6579 B15R2.5 CCNCCc1coc2c1cccc2 2230a_100011934666_100000210202 [0,0,0,0,1,0|3,0,0]=4 6580 B15R2.5 CCNCCc1coc2c1cccc2 34a_100011934666_100000210202 [0,0,0,0,1,0|3,0,0]=4 6581 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000210202 [0,0,0,0,1,0|3,0,0]=4 6582 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100121572206_100011218569 [0,0,0,0,1,0|3,0,0]=4 6583 B15R2.5 CCOCCn1ccc2c1cccc2 34a_100011926976_100000210202 [0,0,0,0,1,0|3,0,0]=4 6584 B15R2.5 CCOCSc1coc2c1cccc2 62a_100000739092_100009812202 [0,0,0,0,1,0|2,1,0]=4 6585 B15R2.5 CCOCSc1csc2c1cccc2 62a_100000739092_100009813928 [0,0,0,0,1,0|2,1,0]=4 6586 B15R2.5 CCSCCc1c[nH]c2c1cccc2 62a_100000210202_100011218569 [0,0,0,0,1,0|3,0,0]=4 6587 B15R2.5 CNCCCn1ccc2c1cccc2 34a_100000185030_200000210301 [0,0,0,0,1,0|3,0,0]=4 6588 B15R2.5 COCCCc1c[nH]c2c1cccc2 34a_100102524900_200000210301 [0,0,0,0,1,0|3,0,0]=4 6589 B15R2.5 COCCOc1csc2c1cccc2 34a_100000077758_100011201679 [0,0,0,0,1,0|2,0,0]=3 6590 B15R2.5 COCCOc1csc2c1cccc2 7a_100000077758_100000233755 [0,0,0,0,1,0|2,0,0]=3 6591 B15R2.5 COCCSc1coc2c1cccc2 62a_100000233755_100009812202 [0,0,0,0,1,0|2,1,0]=4 6592 B15R2.5 COCCSc1csc2c1cccc2 62a_100000233755_100009813928 [0,0,0,0,1,0|2,1,0]=4 6593 B15R2.5 CSCCOc1csc2c1cccc2 34a_100000077758_100000212216 [0,0,0,0,1,0|2,0,0]=3 6594 B15R2.5 CSCCOc1csc2c1cccc2 7a_100000077758_100000212216 [0,0,0,0,1,0|2,0,0]=3 6595 B15R2.5 CSCCSc1coc2c1cccc2 62a_100000212216_100009812202 [0,0,0,0,1,0|2,1,0]=4 6596 B15R2.5 CSCCSc1csc2c1cccc2 62a_100000212216_100009813928 [0,0,0,0,1,0|2,1,0]=4 6597 B15R2.5 FCCCOc1csc2c1cccc2 34a_100000077758_100011934791 [0,0,0,0,1,0|2,0,0]=3 6598 B15R2.5 FCCCOc1csc2c1cccc2 7a_100000077758_100011934791 [0,0,0,0,1,0|2,0,0]=3 6599 B15R2.5 FCCCSc1coc2c1cccc2 62a_100011934791_100009812202 [0,0,0,0,1,0|2,1,0]=4 6600 B15R2.5 FCCCSc1csc2c1cccc2 62a_100011934791_100009813928 [0,0,0,0,1,0|2,1,0]=4 6601 B15R2.5 N#CCCOc1csc2c1cccc2 7a_100000077758_100000184422 [0,0,0,0,1,0|2,0,1]=4 6602 B15R2.5 OCCCOc1csc2c1cccc2 34a_100000077758_100000230001 [0,0,0,0,1,0|2,0,0]=3 6603 B15R2.5 OCCCOc1csc2c1cccc2 7a_100000077758_100011215043 [0,0,0,0,1,0|2,0,0]=3 6604 B15R2.5 OCCCSc1coc2c1cccc2 62a_100011215043_100009812202 [0,0,0,0,1,0|2,1,0]=4 6605 B15R2.5 OCCCSc1csc2c1cccc2 62a_100011215043_100009813928 [0,0,0,0,1,0|2,1,0]=4 6606 B15R2.5 [13CH3]NCCCn1ccc2c1cccc2 34a_100000185030_200025704644 [0,0,0,0,1,0|3,0,0]=4 6607 B15R2.5 [13CH3]OCCCc1c[nH]c2c1cccc2 34a_100102524900_200025704644 [0,0,0,0,1,0|3,0,0]=4 6608 B15R2.2123 C#CCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000688953 [0,0,0,0,1,0|1,0,2]=4 6609 B15R2.2123 C#CCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000688953 [0,0,0,0,1,0|1,0,2]=4 6610 B15R2.2123 C#CCCOc1ccc2ccoc2c1 34a_100000089557_100000688953 [0,0,0,0,1,0|1,0,2]=4 6611 B15R2.2123 C#CCCOc1ccc2ccoc2c1 7a_100000089557_100000688953 [0,0,0,0,1,0|1,0,2]=4 6612 B15R2.2123 C#CCCOc1ccc2occc2c1 34a_100000070125_100000688953 [0,0,0,0,1,0|1,0,2]=4 6613 B15R2.2123 C#CCCOc1ccc2occc2c1 7a_100000070125_100000688953 [0,0,0,0,1,0|1,0,2]=4 6614 B15R2.2123 C#CCCOc1ccc2sccc2c1 34a_100012180905_100000688953 [0,0,0,0,1,0|1,0,2]=4 6615 B15R2.2123 C#CCCOc1ccc2sccc2c1 7a_100012180905_100000688953 [0,0,0,0,1,0|1,0,2]=4 6616 B15R2.2123 C/C=C/COc1ccc2[nH]ccc2c1 34a_100000756620_100102629194 [0,0,0,0,1,0|1,0,2]=4 6617 B15R2.2123 C/C=C/COc1ccc2cc[nH]c2c1 34a_100000036713_100102629194 [0,0,0,0,1,0|1,0,2]=4 6618 B15R2.2123 C/C=C/COc1ccc2ccoc2c1 34a_100000089557_100102629194 [0,0,0,0,1,0|1,0,2]=4 6619 B15R2.2123 C/C=C/COc1ccc2ccoc2c1 7a_100000089557_100102629194 [0,0,0,0,1,0|1,0,2]=4 6620 B15R2.2123 C/C=C/COc1ccc2occc2c1 34a_100000070125_100102629194 [0,0,0,0,1,0|1,0,2]=4 6621 B15R2.2123 C/C=C/COc1ccc2occc2c1 7a_100000070125_100102629194 [0,0,0,0,1,0|1,0,2]=4 6622 B15R2.2123 C/C=C/COc1ccc2sccc2c1 34a_100012180905_100102629194 [0,0,0,0,1,0|1,0,2]=4 6623 B15R2.2123 C/C=C/COc1ccc2sccc2c1 7a_100012180905_100102629194 [0,0,0,0,1,0|1,0,2]=4 6624 B15R2.2123 C=CCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000754431 [0,0,0,0,1,0|1,0,2]=4 6625 B15R2.2123 C=CCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000754431 [0,0,0,0,1,0|1,0,2]=4 6626 B15R2.2123 C=CCCOc1ccc2ccoc2c1 34a_100000089557_100000754431 [0,0,0,0,1,0|1,0,2]=4 6627 B15R2.2123 C=CCCOc1ccc2ccoc2c1 7a_100000089557_100000754431 [0,0,0,0,1,0|1,0,2]=4 6628 B15R2.2123 C=CCCOc1ccc2occc2c1 34a_100000070125_100000754431 [0,0,0,0,1,0|1,0,2]=4 6629 B15R2.2123 C=CCCOc1ccc2occc2c1 7a_100000070125_100000754431 [0,0,0,0,1,0|1,0,2]=4 6630 B15R2.2123 C=CCCOc1ccc2sccc2c1 34a_100012180905_100000754431 [0,0,0,0,1,0|1,0,2]=4 6631 B15R2.2123 C=CCCOc1ccc2sccc2c1 7a_100012180905_100000754431 [0,0,0,0,1,0|1,0,2]=4 6632 B15R2.2123 CC#CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000748600 [0,0,0,0,1,0|1,0,2]=4 6633 B15R2.2123 CC#CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000748600 [0,0,0,0,1,0|1,0,2]=4 6634 B15R2.2123 CC#CCOc1ccc2ccoc2c1 34a_100000089557_100000748600 [0,0,0,0,1,0|1,0,2]=4 6635 B15R2.2123 CC#CCOc1ccc2ccoc2c1 7a_100000089557_100000748600 [0,0,0,0,1,0|1,0,2]=4 6636 B15R2.2123 CC#CCOc1ccc2occc2c1 34a_100000070125_100000748600 [0,0,0,0,1,0|1,0,2]=4 6637 B15R2.2123 CC#CCOc1ccc2occc2c1 7a_100000070125_100000748600 [0,0,0,0,1,0|1,0,2]=4 6638 B15R2.2123 CC#CCOc1ccc2sccc2c1 34a_100012180905_100000748600 [0,0,0,0,1,0|1,0,2]=4 6639 B15R2.2123 CC#CCOc1ccc2sccc2c1 7a_100012180905_100000748600 [0,0,0,0,1,0|1,0,2]=4 6640 B15R2.2123 CC=CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000070051 [0,0,0,0,1,0|1,0,2]=4 6641 B15R2.2123 CC=CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000070051 [0,0,0,0,1,0|1,0,2]=4 6642 B15R2.2123 CC=CCOc1ccc2ccoc2c1 34a_100000089557_100000070051 [0,0,0,0,1,0|1,0,2]=4 6643 B15R2.2123 CC=CCOc1ccc2ccoc2c1 7a_100000089557_100000070051 [0,0,0,0,1,0|1,0,2]=4 6644 B15R2.2123 CC=CCOc1ccc2occc2c1 34a_100000070125_100000070051 [0,0,0,0,1,0|1,0,2]=4 6645 B15R2.2123 CC=CCOc1ccc2occc2c1 7a_100000070125_100000070051 [0,0,0,0,1,0|1,0,2]=4 6646 B15R2.2123 CC=CCOc1ccc2sccc2c1 34a_100012180905_100000070051 [0,0,0,0,1,0|1,0,2]=4 6647 B15R2.2123 CC=CCOc1ccc2sccc2c1 7a_100012180905_100000070051 [0,0,0,0,1,0|1,0,2]=4 6648 B15R2.2123 CCCC=Cc1ccc2[nH]ccc2c1 271570a_100016258520_100000211741 [0,0,0,0,1,0|2,0,1]=4 6649 B15R2.2123 CCCC=Cc1ccc2c(c1)C=CC2 271570a_100016258520_100009814306 [0,0,0,0,1,0|1,0,2]=4 6650 B15R2.2123 CCCC=Cc1ccc2c(c1)CC=C2 271570a_100016258520_200009818231 [0,0,0,0,1,0|1,0,2]=4 6651 B15R2.2123 CCCC=Cc1ccc2cc[nH]c2c1 271570a_100016258520_100000743809 [0,0,0,0,1,0|2,0,1]=4 6652 B15R2.2123 CCCC=Cc1ccc2ccoc2c1 271570a_100016258520_100000759542 [0,0,0,0,1,0|2,0,1]=4 6653 B15R2.2123 CCCC=Cc1ccc2ccsc2c1 271570a_100016258520_100009888917 [0,0,0,0,1,0|2,0,1]=4 6654 B15R2.2123 CCCC=Cc1ccc2cscc2c1 271570a_100016258520_200010760811 [0,0,0,0,1,0|2,0,1]=4 6655 B15R2.2123 CCCC=Cc1ccc2occc2c1 271570a_100016258520_100012343831 [0,0,0,0,1,0|2,0,1]=4 6656 B15R2.2123 CCCC=Cc1ccc2sccc2c1 271570a_100016258520_100009814439 [0,0,0,0,1,0|2,0,1]=4 6657 B15R2.2123 CCCCNc1ccc2ccoc2c1 34a_100000102395_100000210210 [0,0,0,0,1,0|2,0,0]=3 6658 B15R2.2123 CCCCNc1ccc2cnoc2c1 34a_100000084182_100000210210 [0,0,0,0,1,0|3,0,0]=4 6659 B15R2.2123 CCCCNc1ccc2ncoc2c1 34a_100011248239_100000210210 [0,0,0,0,1,0|3,0,0]=4 6660 B15R2.2123 CCCCNc1ccc2ncsc2c1 34a_100011215093_100000210210 [0,0,0,0,1,0|3,0,0]=4 6661 B15R2.2123 CCCCNc1ccc2occc2c1 34a_106430523501_100000210210 [0,0,0,0,1,0|2,0,0]=3 6662 B15R2.2123 CCCCNc1ccc2ocnc2c1 34a_100011219863_100000210210 [0,0,0,0,1,0|3,0,0]=4 6663 B15R2.2123 CCCCNc1ccc2oncc2c1 34a_100000037595_100000210210 [0,0,0,0,1,0|3,0,0]=4 6664 B15R2.2123 CCCCNc1ccc2sccc2c1 34a_100000681076_100000210210 [0,0,0,0,1,0|2,0,0]=3 6665 B15R2.2123 CCCCNc1ccc2sccc2n1 27a_100000102301_100012000956 [0,0,0,0,1,0|3,0,0]=4 6666 B15R2.2123 CCCCNc1ccc2scnc2c1 34a_100000047738_100000210210 [0,0,0,0,1,0|3,0,0]=4 6667 B15R2.2123 CCCCNc1ccc2sncc2c1 34a_100000077742_100000210210 [0,0,0,0,1,0|3,0,0]=4 6668 B15R2.2123 CCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210210 [0,0,0,0,1,0|1,0,0]=2 6669 B15R2.2123 CCCCOc1ccc2c(c1)CCC2 34a_100000209987_100000210210 [0,0,0,0,1,0|0,0,3]=4 6670 B15R2.2123 CCCCOc1ccc2c(c1)CCC2 7a_100000209987_100000210211 [0,0,0,0,1,0|0,0,3]=4 6671 B15R2.2123 CCCCOc1ccc2c(c1)CCN2 34a_100020636429_100000210210 [0,0,0,0,1,0|1,0,2]=4 6672 B15R2.2123 CCCCOc1ccc2c(c1)CNC2 34a_100015195982_100000210210 [0,0,0,0,1,0|1,0,2]=4 6673 B15R2.2123 CCCCOc1ccc2c(c1)NCC2 34a_100020636427_100000210210 [0,0,0,0,1,0|1,0,2]=4 6674 B15R2.2123 CCCCOc1ccc2c(c1)OCO2 34a_100000210298_100000210210 [0,0,0,0,1,0|2,0,1]=4 6675 B15R2.2123 CCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210210 [0,0,0,0,1,0|1,0,0]=2 6676 B15R2.2123 CCCCOc1ccc2ccoc2c1 34a_100000089557_100000210210 [0,0,0,0,1,0|1,0,0]=2 6677 B15R2.2123 CCCCOc1ccc2ccoc2c1 7a_100000089557_100000210211 [0,0,0,0,1,0|1,0,0]=2 6678 B15R2.2123 CCCCOc1ccc2cnoc2c1 34a_100000098417_100000210210 [0,0,0,0,1,0|2,0,0]=3 6679 B15R2.2123 CCCCOc1ccc2cnoc2c1 7a_100000098417_100000210211 [0,0,0,0,1,0|2,0,0]=3 6680 B15R2.2123 CCCCOc1ccc2ncsc2c1 34a_100011995850_100000210210 [0,0,0,0,1,0|2,0,0]=3 6681 B15R2.2123 CCCCOc1ccc2ncsc2c1 7a_100011995850_100000210211 [0,0,0,0,1,0|2,0,0]=3 6682 B15R2.2123 CCCCOc1ccc2nonc2c1 34a_100000036933_100000210210 [0,0,0,0,1,0|3,0,0]=4 6683 B15R2.2123 CCCCOc1ccc2occc2c1 34a_100000070125_100000210210 [0,0,0,0,1,0|1,0,0]=2 6684 B15R2.2123 CCCCOc1ccc2occc2c1 7a_100000070125_100000210211 [0,0,0,0,1,0|1,0,0]=2 6685 B15R2.2123 CCCCOc1ccc2sccc2c1 34a_100012180905_100000210210 [0,0,0,0,1,0|1,0,0]=2 6686 B15R2.2123 CCCCOc1ccc2sccc2c1 7a_100012180905_100000210211 [0,0,0,0,1,0|1,0,0]=2 6687 B15R2.2123 CCCCOc1ccc2scnc2c1 34a_200009850626_100000210210 [0,0,0,0,1,0|2,0,0]=3 6688 B15R2.2123 CCCCOc1ccc2scnc2c1 7a_200009850626_100000210211 [0,0,0,0,1,0|2,0,0]=3 6689 B15R2.2123 CCCCOc1ccn2ccnc2c1 34a_100009863278_100000210210 [0,0,0,0,1,0|2,0,0]=3 6690 B15R2.2123 CCCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210210 [0,0,0,0,1,0|2,0,0]=3 6691 B15R2.2123 CCCCSc1cc2[nH]ccc2cn1 62a_100000210211_100000089685 [0,0,0,0,1,0|2,1,0]=4 6692 B15R2.2123 CCCCSc1cc2cc[nH]c2cn1 62a_100000210211_100009864809 [0,0,0,0,1,0|2,1,0]=4 6693 B15R2.2123 CCCCSc1cc2sccc2cn1 62a_100000210211_200016184645 [0,0,0,0,1,0|2,1,0]=4 6694 B15R2.2123 CCCCSc1ccc2[nH]ccc2c1 62a_100000210211_100000035808 [0,0,0,0,1,0|1,1,0]=3 6695 B15R2.2123 CCCCSc1ccc2[nH]ccc2n1 62a_100000210211_100000087148 [0,0,0,0,1,0|2,1,0]=4 6696 B15R2.2123 CCCCSc1ccc2[nH]cnc2c1 62a_100000210211_100011265325 [0,0,0,0,1,0|2,1,0]=4 6697 B15R2.2123 CCCCSc1ccc2[nH]ncc2c1 62a_100000210211_100000049815 [0,0,0,0,1,0|2,1,0]=4 6698 B15R2.2123 CCCCSc1ccc2c(c1)C=CC2 62a_100000210211_100009814306 [0,0,0,0,1,0|0,1,1]=3 6699 B15R2.2123 CCCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210210 [0,0,0,0,1,0|0,1,1]=3 6700 B15R2.2123 CCCCSc1ccc2c(c1)CC=C2 62a_100000210211_200009818231 [0,0,0,0,1,0|0,1,1]=3 6701 B15R2.2123 CCCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210210 [0,0,0,0,1,0|0,1,1]=3 6702 B15R2.2123 CCCCSc1ccc2cc[nH]c2c1 62a_100000210211_100000743809 [0,0,0,0,1,0|1,1,0]=3 6703 B15R2.2123 CCCCSc1ccc2cc[nH]c2n1 62a_100000210211_100009814870 [0,0,0,0,1,0|2,1,0]=4 6704 B15R2.2123 CCCCSc1ccc2ccnn2c1 62a_100000210211_100009820231 [0,0,0,0,1,0|2,1,0]=4 6705 B15R2.2123 CCCCSc1ccc2ccoc2c1 62a_100000210211_100000759542 [0,0,0,0,1,0|1,1,0]=3 6706 B15R2.2123 CCCCSc1ccc2ccsc2c1 62a_100000210211_100009888917 [0,0,0,0,1,0|1,1,0]=3 6707 B15R2.2123 CCCCSc1ccc2cn[nH]c2c1 62a_100000210211_100000049514 [0,0,0,0,1,0|2,1,0]=4 6708 B15R2.2123 CCCCSc1ccc2cncn2c1 62a_100000210211_100009887162 [0,0,0,0,1,0|2,1,0]=4 6709 B15R2.2123 CCCCSc1ccc2cnoc2c1 62a_100000210211_100009817722 [0,0,0,0,1,0|2,1,0]=4 6710 B15R2.2123 CCCCSc1ccc2cscc2c1 62a_100000210211_200010760811 [0,0,0,0,1,0|1,1,0]=3 6711 B15R2.2123 CCCCSc1ccc2csnc2c1 62a_100000210211_100010170880 [0,0,0,0,1,0|2,1,0]=4 6712 B15R2.2123 CCCCSc1ccc2nccn2c1 62a_100000210211_100000746083 [0,0,0,0,1,0|2,1,0]=4 6713 B15R2.2123 CCCCSc1ccc2nccn2c1 62a_100000746083_100000210210 [0,0,0,0,1,0|2,1,0]=4 6714 B15R2.2123 CCCCSc1ccc2ncoc2c1 62a_100000210211_100009817590 [0,0,0,0,1,0|2,1,0]=4 6715 B15R2.2123 CCCCSc1ccc2ncsc2c1 62a_100000210211_100009816678 [0,0,0,0,1,0|2,1,0]=4 6716 B15R2.2123 CCCCSc1ccc2ncsc2c1 62a_100009816678_100000210210 [0,0,0,0,1,0|2,1,0]=4 6717 B15R2.2123 CCCCSc1ccc2occc2c1 62a_100000210211_100000691453 [0,0,0,0,1,0|1,1,0]=3 6718 B15R2.2123 CCCCSc1ccc2occc2n1 62a_100000210211_100009851292 [0,0,0,0,1,0|2,1,0]=4 6719 B15R2.2123 CCCCSc1ccc2ocnc2c1 62a_100000210211_100009816175 [0,0,0,0,1,0|2,1,0]=4 6720 B15R2.2123 CCCCSc1ccc2oncc2c1 62a_100000210211_100009817723 [0,0,0,0,1,0|2,1,0]=4 6721 B15R2.2123 CCCCSc1ccc2sccc2c1 62a_100000210211_100009814439 [0,0,0,0,1,0|1,1,0]=3 6722 B15R2.2123 CCCCSc1ccc2sccc2n1 62a_100000210211_100012000956 [0,0,0,0,1,0|2,1,0]=4 6723 B15R2.2123 CCCCSc1ccc2scnc2c1 62a_100000210211_100010005895 [0,0,0,0,1,0|2,1,0]=4 6724 B15R2.2123 CCCCSc1ccn2ccnc2c1 62a_100000210211_100000087792 [0,0,0,0,1,0|2,1,0]=4 6725 B15R2.2123 CCCCSc1ccn2nccc2c1 62a_100000210211_100000763084 [0,0,0,0,1,0|2,1,0]=4 6726 B15R2.2123 CCCCSc1cnc2[nH]ccc2c1 62a_100000210211_100000760471 [0,0,0,0,1,0|2,1,0]=4 6727 B15R2.2123 CCCCSc1cnc2cc[nH]c2c1 62a_100000210211_100009818992 [0,0,0,0,1,0|2,1,0]=4 6728 B15R2.2123 CCCCSc1cnc2sccc2c1 62a_100000210211_100010135160 [0,0,0,0,1,0|2,1,0]=4 6729 B15R2.2123 CCCNCc1ccc2[nH]ccc2c1 207a_100020643023_100011197475 [0,0,0,0,1,0|3,0,0]=4 6730 B15R2.2123 CCCNCc1ccc2[nH]ccc2c1 270004a_100020643023_100011197475 [0,0,0,0,1,0|3,0,0]=4 6731 B15R2.2123 CCCNCc1ccc2cc[nH]c2c1 207a_100020643023_100011218920 [0,0,0,0,1,0|3,0,0]=4 6732 B15R2.2123 CCCNCc1ccc2cc[nH]c2c1 270004a_100020643023_100011218920 [0,0,0,0,1,0|3,0,0]=4 6733 B15R2.2123 CCCNCc1ccc2ccsc2c1 207a_100020643023_100000112508 [0,0,0,0,1,0|3,0,0]=4 6734 B15R2.2123 CCCNCc1ccc2ccsc2c1 270004a_100020643023_100000112508 [0,0,0,0,1,0|3,0,0]=4 6735 B15R2.2123 CCCNCc1ccc2occc2c1 207a_100020643023_100000040644 [0,0,0,0,1,0|3,0,0]=4 6736 B15R2.2123 CCCNCc1ccc2occc2c1 2230a_100020591328_100000210303 [0,0,0,0,1,0|3,0,0]=4 6737 B15R2.2123 CCCNCc1ccc2occc2c1 270004a_100020643023_100000040644 [0,0,0,0,1,0|3,0,0]=4 6738 B15R2.2123 CCCNCc1ccc2occc2c1 34a_100020591328_100000210303 [0,0,0,0,1,0|3,0,0]=4 6739 B15R2.2123 CCCNCc1ccc2sccc2c1 207a_100020643023_100000050658 [0,0,0,0,1,0|3,0,0]=4 6740 B15R2.2123 CCCNCc1ccc2sccc2c1 2230a_100000732457_100000210303 [0,0,0,0,1,0|3,0,0]=4 6741 B15R2.2123 CCCNCc1ccc2sccc2c1 270004a_100020643023_100000050658 [0,0,0,0,1,0|3,0,0]=4 6742 B15R2.2123 CCCNCc1ccc2sccc2c1 34a_100000732457_100000210303 [0,0,0,0,1,0|3,0,0]=4 6743 B15R2.2123 CCCOCc1ccc2ccoc2c1 34a_200009859634_100000210303 [0,0,0,0,1,0|3,0,0]=4 6744 B15R2.2123 CCCOCc1ccc2ccoc2c1 7a_200009859634_100000210303 [0,0,0,0,1,0|3,0,0]=4 6745 B15R2.2123 CCCOCc1ccc2ccsc2c1 34a_100010262773_100000210303 [0,0,0,0,1,0|3,0,0]=4 6746 B15R2.2123 CCCOCc1ccc2ccsc2c1 7a_100010262773_100000210303 [0,0,0,0,1,0|3,0,0]=4 6747 B15R2.2123 CCCOCc1ccc2occc2c1 34a_100000067418_100000210303 [0,0,0,0,1,0|3,0,0]=4 6748 B15R2.2123 CCCOCc1ccc2occc2c1 7a_100000067418_100000210303 [0,0,0,0,1,0|3,0,0]=4 6749 B15R2.2123 CCCOCc1ccc2sccc2c1 34a_100000068000_100000210303 [0,0,0,0,1,0|3,0,0]=4 6750 B15R2.2123 CCCOCc1ccc2sccc2c1 7a_100000068000_100000210303 [0,0,0,0,1,0|3,0,0]=4 6751 B15R2.2123 CCOCCc1ccc2sccc2c1 34a_100000087132_100000210202 [0,0,0,0,1,0|3,0,0]=4 6752 B15R2.2123 CCOCCc1ccc2sccc2c1 7a_100000087132_100000210202 [0,0,0,0,1,0|3,0,0]=4 6753 B15R2.2123 CCOCSc1ccc2[nH]ccc2c1 62a_100000739092_100000035808 [0,0,0,0,1,0|2,1,0]=4 6754 B15R2.2123 CCOCSc1ccc2c(c1)C=CC2 62a_100000739092_100009814306 [0,0,0,0,1,0|1,1,1]=4 6755 B15R2.2123 CCOCSc1ccc2c(c1)C=CC2 62a_100009814306_100000739092 [0,0,0,0,1,0|1,1,1]=4 6756 B15R2.2123 CCOCSc1ccc2c(c1)CC=C2 62a_100000739092_200009818231 [0,0,0,0,1,0|1,1,1]=4 6757 B15R2.2123 CCOCSc1ccc2c(c1)CC=C2 62a_200009818231_100000739092 [0,0,0,0,1,0|1,1,1]=4 6758 B15R2.2123 CCOCSc1ccc2cc[nH]c2c1 62a_100000739092_100000743809 [0,0,0,0,1,0|2,1,0]=4 6759 B15R2.2123 CCOCSc1ccc2ccoc2c1 62a_100000739092_100000759542 [0,0,0,0,1,0|2,1,0]=4 6760 B15R2.2123 CCOCSc1ccc2ccsc2c1 62a_100000739092_100009888917 [0,0,0,0,1,0|2,1,0]=4 6761 B15R2.2123 CCOCSc1ccc2cscc2c1 62a_100000739092_200010760811 [0,0,0,0,1,0|2,1,0]=4 6762 B15R2.2123 CCOCSc1ccc2occc2c1 62a_100000739092_100000691453 [0,0,0,0,1,0|2,1,0]=4 6763 B15R2.2123 CCOCSc1ccc2sccc2c1 62a_100000739092_100009814439 [0,0,0,0,1,0|2,1,0]=4 6764 B15R2.2123 COCCNc1ccc2ccoc2c1 34a_100000102395_100011201679 [0,0,0,0,1,0|3,0,0]=4 6765 B15R2.2123 COCCNc1ccc2occc2c1 34a_106430523501_100011201679 [0,0,0,0,1,0|3,0,0]=4 6766 B15R2.2123 COCCNc1ccc2sccc2c1 34a_100000681076_100011201679 [0,0,0,0,1,0|3,0,0]=4 6767 B15R2.2123 COCCOc1ccc2[nH]ccc2c1 34a_100000756620_100011201679 [0,0,0,0,1,0|2,0,0]=3 6768 B15R2.2123 COCCOc1ccc2cc[nH]c2c1 34a_100000036713_100011201679 [0,0,0,0,1,0|2,0,0]=3 6769 B15R2.2123 COCCOc1ccc2ccoc2c1 34a_100000089557_100011201679 [0,0,0,0,1,0|2,0,0]=3 6770 B15R2.2123 COCCOc1ccc2ccoc2c1 7a_100000089557_100000233755 [0,0,0,0,1,0|2,0,0]=3 6771 B15R2.2123 COCCOc1ccc2cnoc2c1 34a_100000098417_100011201679 [0,0,0,0,1,0|3,0,0]=4 6772 B15R2.2123 COCCOc1ccc2cnoc2c1 7a_100000098417_100000233755 [0,0,0,0,1,0|3,0,0]=4 6773 B15R2.2123 COCCOc1ccc2ncsc2c1 34a_100011995850_100011201679 [0,0,0,0,1,0|3,0,0]=4 6774 B15R2.2123 COCCOc1ccc2ncsc2c1 7a_100011995850_100000233755 [0,0,0,0,1,0|3,0,0]=4 6775 B15R2.2123 COCCOc1ccc2occc2c1 34a_100000070125_100011201679 [0,0,0,0,1,0|2,0,0]=3 6776 B15R2.2123 COCCOc1ccc2occc2c1 7a_100000070125_100000233755 [0,0,0,0,1,0|2,0,0]=3 6777 B15R2.2123 COCCOc1ccc2sccc2c1 34a_100012180905_100011201679 [0,0,0,0,1,0|2,0,0]=3 6778 B15R2.2123 COCCOc1ccc2sccc2c1 7a_100012180905_100000233755 [0,0,0,0,1,0|2,0,0]=3 6779 B15R2.2123 COCCOc1ccc2scnc2c1 34a_200009850626_100011201679 [0,0,0,0,1,0|3,0,0]=4 6780 B15R2.2123 COCCOc1ccc2scnc2c1 7a_200009850626_100000233755 [0,0,0,0,1,0|3,0,0]=4 6781 B15R2.2123 COCCOc1ccn2ccnc2c1 34a_100009863278_100011201679 [0,0,0,0,1,0|3,0,0]=4 6782 B15R2.2123 COCCOc1cnc2[nH]ccc2c1 34a_100000087691_100011201679 [0,0,0,0,1,0|3,0,0]=4 6783 B15R2.2123 COCCSc1ccc2[nH]ccc2c1 62a_100000233755_100000035808 [0,0,0,0,1,0|2,1,0]=4 6784 B15R2.2123 COCCSc1ccc2c(c1)C=CC2 62a_100000233755_100009814306 [0,0,0,0,1,0|1,1,1]=4 6785 B15R2.2123 COCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000233755 [0,0,0,0,1,0|1,1,1]=4 6786 B15R2.2123 COCCSc1ccc2c(c1)CC=C2 62a_100000233755_200009818231 [0,0,0,0,1,0|1,1,1]=4 6787 B15R2.2123 COCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000233755 [0,0,0,0,1,0|1,1,1]=4 6788 B15R2.2123 COCCSc1ccc2cc[nH]c2c1 62a_100000233755_100000743809 [0,0,0,0,1,0|2,1,0]=4 6789 B15R2.2123 COCCSc1ccc2ccoc2c1 62a_100000233755_100000759542 [0,0,0,0,1,0|2,1,0]=4 6790 B15R2.2123 COCCSc1ccc2ccsc2c1 62a_100000233755_100009888917 [0,0,0,0,1,0|2,1,0]=4 6791 B15R2.2123 COCCSc1ccc2cscc2c1 62a_100000233755_200010760811 [0,0,0,0,1,0|2,1,0]=4 6792 B15R2.2123 COCCSc1ccc2occc2c1 62a_100000233755_100000691453 [0,0,0,0,1,0|2,1,0]=4 6793 B15R2.2123 COCCSc1ccc2sccc2c1 62a_100000233755_100009814439 [0,0,0,0,1,0|2,1,0]=4 6794 B15R2.2123 CSCCNc1ccc2ccoc2c1 34a_100000102395_100000212216 [0,0,0,0,1,0|3,0,0]=4 6795 B15R2.2123 CSCCNc1ccc2occc2c1 34a_106430523501_100000212216 [0,0,0,0,1,0|3,0,0]=4 6796 B15R2.2123 CSCCNc1ccc2sccc2c1 34a_100000681076_100000212216 [0,0,0,0,1,0|3,0,0]=4 6797 B15R2.2123 CSCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000212216 [0,0,0,0,1,0|2,0,0]=3 6798 B15R2.2123 CSCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000212216 [0,0,0,0,1,0|2,0,0]=3 6799 B15R2.2123 CSCCOc1ccc2ccoc2c1 34a_100000089557_100000212216 [0,0,0,0,1,0|2,0,0]=3 6800 B15R2.2123 CSCCOc1ccc2ccoc2c1 7a_100000089557_100000212216 [0,0,0,0,1,0|2,0,0]=3 6801 B15R2.2123 CSCCOc1ccc2cnoc2c1 34a_100000098417_100000212216 [0,0,0,0,1,0|3,0,0]=4 6802 B15R2.2123 CSCCOc1ccc2cnoc2c1 7a_100000098417_100000212216 [0,0,0,0,1,0|3,0,0]=4 6803 B15R2.2123 CSCCOc1ccc2ncsc2c1 34a_100011995850_100000212216 [0,0,0,0,1,0|3,0,0]=4 6804 B15R2.2123 CSCCOc1ccc2ncsc2c1 7a_100011995850_100000212216 [0,0,0,0,1,0|3,0,0]=4 6805 B15R2.2123 CSCCOc1ccc2occc2c1 34a_100000070125_100000212216 [0,0,0,0,1,0|2,0,0]=3 6806 B15R2.2123 CSCCOc1ccc2occc2c1 7a_100000070125_100000212216 [0,0,0,0,1,0|2,0,0]=3 6807 B15R2.2123 CSCCOc1ccc2sccc2c1 34a_100012180905_100000212216 [0,0,0,0,1,0|2,0,0]=3 6808 B15R2.2123 CSCCOc1ccc2sccc2c1 7a_100012180905_100000212216 [0,0,0,0,1,0|2,0,0]=3 6809 B15R2.2123 CSCCOc1ccc2scnc2c1 34a_200009850626_100000212216 [0,0,0,0,1,0|3,0,0]=4 6810 B15R2.2123 CSCCOc1ccc2scnc2c1 7a_200009850626_100000212216 [0,0,0,0,1,0|3,0,0]=4 6811 B15R2.2123 CSCCOc1ccn2ccnc2c1 34a_100009863278_100000212216 [0,0,0,0,1,0|3,0,0]=4 6812 B15R2.2123 CSCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000212216 [0,0,0,0,1,0|3,0,0]=4 6813 B15R2.2123 CSCCSc1ccc2[nH]ccc2c1 62a_100000212216_100000035808 [0,0,0,0,1,0|2,1,0]=4 6814 B15R2.2123 CSCCSc1ccc2c(c1)C=CC2 62a_100000212216_100009814306 [0,0,0,0,1,0|1,1,1]=4 6815 B15R2.2123 CSCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000751147 [0,0,0,0,1,0|1,1,1]=4 6816 B15R2.2123 CSCCSc1ccc2c(c1)CC=C2 62a_100000212216_200009818231 [0,0,0,0,1,0|1,1,1]=4 6817 B15R2.2123 CSCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000751147 [0,0,0,0,1,0|1,1,1]=4 6818 B15R2.2123 CSCCSc1ccc2cc[nH]c2c1 62a_100000212216_100000743809 [0,0,0,0,1,0|2,1,0]=4 6819 B15R2.2123 CSCCSc1ccc2ccoc2c1 62a_100000212216_100000759542 [0,0,0,0,1,0|2,1,0]=4 6820 B15R2.2123 CSCCSc1ccc2ccsc2c1 62a_100000212216_100009888917 [0,0,0,0,1,0|2,1,0]=4 6821 B15R2.2123 CSCCSc1ccc2cscc2c1 62a_100000212216_200010760811 [0,0,0,0,1,0|2,1,0]=4 6822 B15R2.2123 CSCCSc1ccc2occc2c1 62a_100000212216_100000691453 [0,0,0,0,1,0|2,1,0]=4 6823 B15R2.2123 CSCCSc1ccc2sccc2c1 62a_100000212216_100009814439 [0,0,0,0,1,0|2,1,0]=4 6824 B15R2.2123 FCCCNc1ccc2ccoc2c1 34a_100000102395_100011934791 [0,0,0,0,1,0|3,0,0]=4 6825 B15R2.2123 FCCCNc1ccc2occc2c1 34a_106430523501_100011934791 [0,0,0,0,1,0|3,0,0]=4 6826 B15R2.2123 FCCCNc1ccc2sccc2c1 34a_100000681076_100011934791 [0,0,0,0,1,0|3,0,0]=4 6827 B15R2.2123 FCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100011934791 [0,0,0,0,1,0|2,0,0]=3 6828 B15R2.2123 FCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100011934791 [0,0,0,0,1,0|2,0,0]=3 6829 B15R2.2123 FCCCOc1ccc2ccoc2c1 34a_100000089557_100011934791 [0,0,0,0,1,0|2,0,0]=3 6830 B15R2.2123 FCCCOc1ccc2ccoc2c1 7a_100000089557_100011934791 [0,0,0,0,1,0|2,0,0]=3 6831 B15R2.2123 FCCCOc1ccc2cnoc2c1 34a_100000098417_100011934791 [0,0,0,0,1,0|3,0,0]=4 6832 B15R2.2123 FCCCOc1ccc2cnoc2c1 7a_100000098417_100011934791 [0,0,0,0,1,0|3,0,0]=4 6833 B15R2.2123 FCCCOc1ccc2ncsc2c1 34a_100011995850_100011934791 [0,0,0,0,1,0|3,0,0]=4 6834 B15R2.2123 FCCCOc1ccc2ncsc2c1 7a_100011995850_100011934791 [0,0,0,0,1,0|3,0,0]=4 6835 B15R2.2123 FCCCOc1ccc2occc2c1 34a_100000070125_100011934791 [0,0,0,0,1,0|2,0,0]=3 6836 B15R2.2123 FCCCOc1ccc2occc2c1 7a_100000070125_100011934791 [0,0,0,0,1,0|2,0,0]=3 6837 B15R2.2123 FCCCOc1ccc2sccc2c1 34a_100012180905_100011934791 [0,0,0,0,1,0|2,0,0]=3 6838 B15R2.2123 FCCCOc1ccc2sccc2c1 7a_100012180905_100011934791 [0,0,0,0,1,0|2,0,0]=3 6839 B15R2.2123 FCCCOc1ccc2scnc2c1 34a_200009850626_100011934791 [0,0,0,0,1,0|3,0,0]=4 6840 B15R2.2123 FCCCOc1ccc2scnc2c1 7a_200009850626_100011934791 [0,0,0,0,1,0|3,0,0]=4 6841 B15R2.2123 FCCCOc1ccn2ccnc2c1 34a_100009863278_100011934791 [0,0,0,0,1,0|3,0,0]=4 6842 B15R2.2123 FCCCOc1cnc2[nH]ccc2c1 34a_100000087691_100011934791 [0,0,0,0,1,0|3,0,0]=4 6843 B15R2.2123 FCCCSc1ccc2[nH]ccc2c1 62a_100011934791_100000035808 [0,0,0,0,1,0|2,1,0]=4 6844 B15R2.2123 FCCCSc1ccc2c(c1)C=CC2 62a_100009814306_100011934791 [0,0,0,0,1,0|1,1,1]=4 6845 B15R2.2123 FCCCSc1ccc2c(c1)C=CC2 62a_100011934791_100009814306 [0,0,0,0,1,0|1,1,1]=4 6846 B15R2.2123 FCCCSc1ccc2c(c1)CC=C2 62a_100011934791_200009818231 [0,0,0,0,1,0|1,1,1]=4 6847 B15R2.2123 FCCCSc1ccc2c(c1)CC=C2 62a_200009818231_100011934791 [0,0,0,0,1,0|1,1,1]=4 6848 B15R2.2123 FCCCSc1ccc2cc[nH]c2c1 62a_100011934791_100000743809 [0,0,0,0,1,0|2,1,0]=4 6849 B15R2.2123 FCCCSc1ccc2ccoc2c1 62a_100011934791_100000759542 [0,0,0,0,1,0|2,1,0]=4 6850 B15R2.2123 FCCCSc1ccc2ccsc2c1 62a_100011934791_100009888917 [0,0,0,0,1,0|2,1,0]=4 6851 B15R2.2123 FCCCSc1ccc2cscc2c1 62a_100011934791_200010760811 [0,0,0,0,1,0|2,1,0]=4 6852 B15R2.2123 FCCCSc1ccc2occc2c1 62a_100011934791_100000691453 [0,0,0,0,1,0|2,1,0]=4 6853 B15R2.2123 FCCCSc1ccc2sccc2c1 62a_100011934791_100009814439 [0,0,0,0,1,0|2,1,0]=4 6854 B15R2.2123 N#CCCOc1ccc2ccoc2c1 7a_100000089557_100000184422 [0,0,0,0,1,0|2,0,1]=4 6855 B15R2.2123 N#CCCOc1ccc2occc2c1 7a_100000070125_100000184422 [0,0,0,0,1,0|2,0,1]=4 6856 B15R2.2123 N#CCCOc1ccc2sccc2c1 7a_100012180905_100000184422 [0,0,0,0,1,0|2,0,1]=4 6857 B15R2.2123 OCCCNc1ccc2ccoc2c1 34a_100000102395_100000230001 [0,0,0,0,1,0|3,0,0]=4 6858 B15R2.2123 OCCCNc1ccc2occc2c1 34a_106430523501_100000230001 [0,0,0,0,1,0|3,0,0]=4 6859 B15R2.2123 OCCCNc1ccc2sccc2c1 34a_100000681076_100000230001 [0,0,0,0,1,0|3,0,0]=4 6860 B15R2.2123 OCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000230001 [0,0,0,0,1,0|2,0,0]=3 6861 B15R2.2123 OCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000230001 [0,0,0,0,1,0|2,0,0]=3 6862 B15R2.2123 OCCCOc1ccc2ccoc2c1 34a_100000089557_100000230001 [0,0,0,0,1,0|2,0,0]=3 6863 B15R2.2123 OCCCOc1ccc2ccoc2c1 7a_100000089557_100011215043 [0,0,0,0,1,0|2,0,0]=3 6864 B15R2.2123 OCCCOc1ccc2cnoc2c1 34a_100000098417_100000230001 [0,0,0,0,1,0|3,0,0]=4 6865 B15R2.2123 OCCCOc1ccc2cnoc2c1 7a_100000098417_100011215043 [0,0,0,0,1,0|3,0,0]=4 6866 B15R2.2123 OCCCOc1ccc2ncsc2c1 34a_100011995850_100000230001 [0,0,0,0,1,0|3,0,0]=4 6867 B15R2.2123 OCCCOc1ccc2ncsc2c1 7a_100011995850_100011215043 [0,0,0,0,1,0|3,0,0]=4 6868 B15R2.2123 OCCCOc1ccc2occc2c1 34a_100000070125_100000230001 [0,0,0,0,1,0|2,0,0]=3 6869 B15R2.2123 OCCCOc1ccc2occc2c1 7a_100000070125_100011215043 [0,0,0,0,1,0|2,0,0]=3 6870 B15R2.2123 OCCCOc1ccc2sccc2c1 34a_100012180905_100000230001 [0,0,0,0,1,0|2,0,0]=3 6871 B15R2.2123 OCCCOc1ccc2sccc2c1 7a_100012180905_100011215043 [0,0,0,0,1,0|2,0,0]=3 6872 B15R2.2123 OCCCOc1ccc2scnc2c1 34a_200009850626_100000230001 [0,0,0,0,1,0|3,0,0]=4 6873 B15R2.2123 OCCCOc1ccc2scnc2c1 7a_200009850626_100011215043 [0,0,0,0,1,0|3,0,0]=4 6874 B15R2.2123 OCCCOc1ccn2ccnc2c1 34a_100009863278_100000230001 [0,0,0,0,1,0|3,0,0]=4 6875 B15R2.2123 OCCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000230001 [0,0,0,0,1,0|3,0,0]=4 6876 B15R2.2123 OCCCSc1ccc2[nH]ccc2c1 62a_100011215043_100000035808 [0,0,0,0,1,0|2,1,0]=4 6877 B15R2.2123 OCCCSc1ccc2c(c1)C=CC2 62a_100009814306_100011215043 [0,0,0,0,1,0|1,1,1]=4 6878 B15R2.2123 OCCCSc1ccc2c(c1)C=CC2 62a_100011215043_100009814306 [0,0,0,0,1,0|1,1,1]=4 6879 B15R2.2123 OCCCSc1ccc2c(c1)CC=C2 62a_100011215043_200009818231 [0,0,0,0,1,0|1,1,1]=4 6880 B15R2.2123 OCCCSc1ccc2c(c1)CC=C2 62a_200009818231_100011215043 [0,0,0,0,1,0|1,1,1]=4 6881 B15R2.2123 OCCCSc1ccc2cc[nH]c2c1 62a_100011215043_100000743809 [0,0,0,0,1,0|2,1,0]=4 6882 B15R2.2123 OCCCSc1ccc2ccoc2c1 62a_100011215043_100000759542 [0,0,0,0,1,0|2,1,0]=4 6883 B15R2.2123 OCCCSc1ccc2ccsc2c1 62a_100011215043_100009888917 [0,0,0,0,1,0|2,1,0]=4 6884 B15R2.2123 OCCCSc1ccc2cscc2c1 62a_100011215043_200010760811 [0,0,0,0,1,0|2,1,0]=4 6885 B15R2.2123 OCCCSc1ccc2occc2c1 62a_100011215043_100000691453 [0,0,0,0,1,0|2,1,0]=4 6886 B15R2.2123 OCCCSc1ccc2sccc2c1 62a_100011215043_100009814439 [0,0,0,0,1,0|2,1,0]=4 6887 B15R2.2203 CCCC=Cc1cc2ccccc2[nH]1 271570a_100016258520_100010232065 [0,0,0,0,1,0|2,0,1]=4 6888 B15R2.2203 CCCC=Cc1cc2ccccc2o1 271570a_100016258520_100010159458 [0,0,0,0,1,0|2,0,1]=4 6889 B15R2.2203 CCCC=Cc1cc2ccccc2s1 271570a_100016258520_100009816949 [0,0,0,0,1,0|2,0,1]=4 6890 B15R2.2203 CCCCNc1nc2ccccc2[nH]1 27a_100000102301_100009814255 [0,0,0,0,1,0|3,0,0]=4 6891 B15R2.2203 CCCCNc1nc2ccccc2s1 27a_100000102301_100000751744 [0,0,0,0,1,0|3,0,0]=4 6892 B15R2.2203 CCCCOC1Cc2ccccc2C1 34a_100000210227_100000753484 [0,0,0,0,1,0|0,0,3]=4 6893 B15R2.2203 CCCCOC1Cc2ccccc2C1 34a_100011215286_100000210210 [0,0,0,0,1,0|0,0,3]=4 6894 B15R2.2203 CCCCOC1Cc2ccccc2C1 7a_100000210227_100000753484 [0,0,0,0,1,0|0,0,3]=4 6895 B15R2.2203 CCCCSc1cc2ccccc2[nH]1 62a_100000210211_100010232065 [0,0,0,0,1,0|1,1,0]=3 6896 B15R2.2203 CCCCSc1cc2ccccc2o1 62a_100000210211_100010159458 [0,0,0,0,1,0|1,1,0]=3 6897 B15R2.2203 CCCCSc1cc2ccccc2s1 62a_100000210211_100009816949 [0,0,0,0,1,0|1,1,0]=3 6898 B15R2.2203 CCCCSc1cc2cccnc2[nH]1 62a_100000210211_100010079843 [0,0,0,0,1,0|2,1,0]=4 6899 B15R2.2203 CCCCSc1cn2ccccc2n1 62a_100000210211_100009819586 [0,0,0,0,1,0|2,1,0]=4 6900 B15R2.2203 CCCCSc1nc2ccccc2[nH]1 62a_100000210211_100009814255 [0,0,0,0,1,0|2,1,0]=4 6901 B15R2.2203 CCCCSc1nc2ccccc2s1 62a_100000210211_100000751744 [0,0,0,0,1,0|2,1,0]=4 6902 B15R2.2203 CCCNCc1cc2ccccc2[nH]1 270004a_100020643023_100000051030 [0,0,0,0,1,0|3,0,0]=4 6903 B15R2.2203 CCCNCc1cc2ccccc2o1 207a_100020643023_100000229944 [0,0,0,0,1,0|3,0,0]=4 6904 B15R2.2203 CCCNCc1cc2ccccc2o1 270004a_100020643023_100000229944 [0,0,0,0,1,0|3,0,0]=4 6905 B15R2.2203 CCCNCc1cc2ccccc2s1 207a_100020643023_100000686906 [0,0,0,0,1,0|3,0,0]=4 6906 B15R2.2203 CCCNCc1cc2ccccc2s1 2230a_100015187092_100000210303 [0,0,0,0,1,0|3,0,0]=4 6907 B15R2.2203 CCCNCc1cc2ccccc2s1 270004a_100020643023_100000686906 [0,0,0,0,1,0|3,0,0]=4 6908 B15R2.2203 CCCOCc1cc2ccccc2o1 34a_100000233474_100000210303 [0,0,0,0,1,0|3,0,0]=4 6909 B15R2.2203 CCCOCc1cc2ccccc2o1 7a_100000233474_100000210303 [0,0,0,0,1,0|3,0,0]=4 6910 B15R2.2203 CCOCCc1cc2ccccc2o1 34a_100011996023_100000210202 [0,0,0,0,1,0|3,0,0]=4 6911 B15R2.2203 CCOCCc1cc2ccccc2o1 7a_100011996023_100000210202 [0,0,0,0,1,0|3,0,0]=4 6912 B15R2.2203 CCOCSc1cc2ccccc2[nH]1 62a_100000739092_100010232065 [0,0,0,0,1,0|2,1,0]=4 6913 B15R2.2203 CCOCSc1cc2ccccc2o1 62a_100000739092_100010159458 [0,0,0,0,1,0|2,1,0]=4 6914 B15R2.2203 CCOCSc1cc2ccccc2s1 62a_100000739092_100009816949 [0,0,0,0,1,0|2,1,0]=4 6915 B15R2.2203 COCCSc1cc2ccccc2[nH]1 62a_100000233755_100010232065 [0,0,0,0,1,0|2,1,0]=4 6916 B15R2.2203 COCCSc1cc2ccccc2o1 62a_100000233755_100010159458 [0,0,0,0,1,0|2,1,0]=4 6917 B15R2.2203 COCCSc1cc2ccccc2s1 62a_100000233755_100009816949 [0,0,0,0,1,0|2,1,0]=4 6918 B15R2.2203 CSCCSc1cc2ccccc2[nH]1 62a_100000212216_100010232065 [0,0,0,0,1,0|2,1,0]=4 6919 B15R2.2203 CSCCSc1cc2ccccc2o1 62a_100000212216_100010159458 [0,0,0,0,1,0|2,1,0]=4 6920 B15R2.2203 CSCCSc1cc2ccccc2s1 62a_100000212216_100009816949 [0,0,0,0,1,0|2,1,0]=4 6921 B15R2.2203 FCCCSc1cc2ccccc2[nH]1 62a_100011934791_100010232065 [0,0,0,0,1,0|2,1,0]=4 6922 B15R2.2203 FCCCSc1cc2ccccc2o1 62a_100011934791_100010159458 [0,0,0,0,1,0|2,1,0]=4 6923 B15R2.2203 FCCCSc1cc2ccccc2s1 62a_100011934791_100009816949 [0,0,0,0,1,0|2,1,0]=4 6924 B15R2.2203 OCCCSc1cc2ccccc2[nH]1 62a_100011215043_100010232065 [0,0,0,0,1,0|2,1,0]=4 6925 B15R2.2203 OCCCSc1cc2ccccc2o1 62a_100011215043_100010159458 [0,0,0,0,1,0|2,1,0]=4 6926 B15R2.2203 OCCCSc1cc2ccccc2s1 62a_100011215043_100009816949 [0,0,0,0,1,0|2,1,0]=4 6927 B14R1.123 BrCCCOC/C=C/c1ccccc1 34a_100011217188_100016265936 [1,0,1,0,0,0|1,0,1]=4 6928 B14R1.123 CCCCCCC=Cc1ccccc1 271570a_200015348155_100000210277 [1,0,1,0,0,0|1,0,1]=4 6929 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100000102301_100016265936 [1,0,1,0,0,0|1,0,1]=4 6930 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210211 [1,0,1,0,0,0|1,0,1]=4 6931 B14R1.123 CCCCNC/C=C/c1ccccc1 34a_100020603302_100000210210 [1,0,1,0,0,0|1,0,1]=4 6932 B14R1.123 CCCCNC/C=C/c1ccccc1 7a_106832991798_100016265936 [1,0,1,0,0,0|1,0,1]=4 6933 B14R1.123 CCCCNCC=Cc1ccccc1 270004a_100000102301_100000210105 [1,0,1,0,0,0|1,0,1]=4 6934 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210227_100016265936 [1,0,1,0,0,0|0,0,1]=3 6935 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210256_100000210210 [1,0,1,0,0,0|0,0,1]=3 6936 B14R1.123 CCCCOC/C=C/c1ccccc1 7a_100000210227_100016265936 [1,0,1,0,0,0|0,0,1]=3 6937 B14R1.123 CCCCOC/C=C/c1cccnc1 34a_200102594124_100000210210 [1,0,1,0,0,0|1,0,1]=4 6938 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100000210211_100016265936 [1,0,1,0,0,0|0,1,1]=4 6939 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100016265936_100000210210 [1,0,1,0,0,0|0,1,1]=4 6940 B14R1.123 CCCNN=CC=Cc1ccccc1 4a_100000740057_100000210105 [1,0,1,0,0,0|2,0,0]=4 6941 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210237_100016265936 [1,0,1,0,0,0|1,0,1]=4 6942 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210256_100011201679 [1,0,1,0,0,0|1,0,1]=4 6943 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000210256_100000212216 [1,0,1,0,0,0|1,0,1]=4 6944 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000230434_100016265936 [1,0,1,0,0,0|1,0,1]=4 6945 B14R1.123 CSCCOC/C=C/c1ccccc1 7a_100000230434_100016265936 [1,0,1,0,0,0|1,0,1]=4 6946 B14R1.123 ClCCCOC/C=C/c1ccccc1 34a_100000230001_100016265936 [1,0,1,0,0,0|1,0,1]=4 6947 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000210256_100011934791 [1,0,1,0,0,0|1,0,1]=4 6948 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000759539_100016265936 [1,0,1,0,0,0|1,0,1]=4 6949 B14R1.123 NCCCOC/C=C/c1ccccc1 34a_100000182051_100016265936 [1,0,1,0,0,0|1,0,1]=4 6950 B14R1.123 OCCCOC/C=C/c1ccccc1 34a_100000210256_100000230001 [1,0,1,0,0,0|1,0,1]=4 6951 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [1,0,1,0,0,0|1,0,0]=3 6952 B14R1.156 CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210211 [1,0,1,0,0,0|2,0,0]=4 6953 B14R1.156 CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210211 [1,0,1,0,0,0|2,0,0]=4 6954 B14R1.156 CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210211 [1,0,1,0,0,0|2,0,0]=4 6955 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [1,0,1,0,0,0|2,0,0]=4 6956 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [1,0,1,0,0,0|2,0,0]=4 6957 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [1,0,1,0,0,0|2,0,0]=4 6958 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [1,0,1,0,0,0|2,0,0]=4 6959 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [1,0,1,0,0,0|2,0,0]=4 6960 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [1,0,1,0,0,0|2,0,0]=4 6961 B14R1.882 CCCCCC=Cc1ccccc1C 271570a_100000062253_100000210755 [1,0,1,0,0,0|0,0,2]=4 6962 B14R1.882 CCCCCC=Cc1ccccc1Cl 271570a_100000062253_100000764095 [1,0,1,0,0,0|1,0,1]=4 6963 B14R1.882 CCCCCC=Cc1ccccc1F 271570a_100000062253_100011215700 [1,0,1,0,0,0|1,0,1]=4 6964 B14R1.882 CCCCCC=Cc1ccccc1N 271570a_100000062253_100000210017 [1,0,1,0,0,0|1,0,1]=4 6965 B14R1.882 CCCCCC=Cc1ccccc1O 271570a_100000062253_100000739446 [1,0,1,0,0,0|1,0,1]=4 6966 B14R1.70 C=CCNc1ccc(cc1)CCCC 2230a_100000210628_100000210623 [1,0,1,0,0,0|1,0,1]=4 6967 B14R1.70 C=CCNc1ccc(cc1)CCCC 34a_100000210628_100015514636 [1,0,1,0,0,0|1,0,1]=4 6968 B14R1.70 C=CCNc1ccc(cc1)OCCC 34a_100000748631_100015514636 [1,0,1,0,0,0|1,0,1]=4 6969 B14R1.70 C=CCOc1ccc(cc1)CCCC 271570a_100020621405_100000172055 [1,0,1,0,0,0|1,0,1]=4 6970 B14R1.70 C=CCOc1ccc(cc1)CCCC 34a_100011216022_100015514636 [1,0,1,0,0,0|1,0,1]=4 6971 B14R1.70 C=CCOc1ccc(cc1)CCCC 7a_100011216022_100015514636 [1,0,1,0,0,0|1,0,1]=4 6972 B14R1.70 C=CCOc1ccc(cc1)OCCC 34a_100000185468_100015514636 [1,0,1,0,0,0|1,0,1]=4 6973 B14R1.70 C=CCOc1ccc(cc1)OCCC 7a_100000185468_100015514636 [1,0,1,0,0,0|1,0,1]=4 6974 B14R1.70 C=CCSc1ccc(cc1)CCCC 62a_100000210623_100011218101 [1,0,1,0,0,0|1,0,1]=4 6975 B14R1.70 C=CCSc1ccc(cc1)CCCC 62a_100011218101_100000210623 [1,0,1,0,0,0|1,0,1]=4 6976 B14R1.70 C=CCSc1ccc(cc1)OCCC 62a_100000169948_100000210623 [1,0,1,0,0,0|1,0,1]=4 6977 B14R1.70 C=CCSc1ccc(cc1)OCCC 62a_100000210623_100000169948 [1,0,1,0,0,0|1,0,1]=4 6978 B14R1.70 CCCCc1ccc(cc1)C=COC 271570a_100020621405_100020630460 [1,0,1,0,0,0|1,0,1]=4 6979 B14R1.70 CCCSc1ccc(cc1)/C=C/C=O 62a_100000210303_100016291818 [1,0,1,0,0,0|1,1,0]=4 6980 B14R1.70 CCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210303 [1,0,1,0,0,0|1,1,0]=4 6981 B14R1.465 C/C=C/c1ccc(cc1)SCCCC 62a_100000210211_100016259036 [1,0,1,0,0,0|0,1,1]=4 6982 B14R1.465 C/C=C/c1ccc(cc1)SCCCC 62a_100016259036_100000210210 [1,0,1,0,0,0|0,1,1]=4 6983 B14R1.465 C=C=Cc1ccc(cc1)CCCCC 271570a_100015277604_100009813665 [1,0,1,0,0,0|1,0,1]=4 6984 B14R1.465 C=C=Cc1ccc(cc1)OCCCC 271570a_100015277604_100000230682 [1,0,1,0,0,0|0,0,1]=3 6985 B14R1.465 C=C=Cc1ccc(cc1)OCCCO 271570a_100015277604_100000756186 [1,0,1,0,0,0|1,0,1]=4 6986 B14R1.465 C=C=Cc1ccc(cc1)OCCOC 271570a_100015277604_100000234135 [1,0,1,0,0,0|1,0,1]=4 6987 B14R1.465 C=CCc1ccc(cc1)OCCCC 34a_100000078792_100000210210 [1,0,1,0,0,0|0,0,1]=3 6988 B14R1.465 C=CCc1ccc(cc1)OCCCC 7a_100000078792_100000210211 [1,0,1,0,0,0|0,0,1]=3 6989 B14R1.465 C=CCc1ccc(cc1)OCCCF 34a_100000078792_100011934791 [1,0,1,0,0,0|1,0,1]=4 6990 B14R1.465 C=CCc1ccc(cc1)OCCCF 7a_100000078792_100011934791 [1,0,1,0,0,0|1,0,1]=4 6991 B14R1.465 C=CCc1ccc(cc1)OCCCO 34a_100000078792_100000230001 [1,0,1,0,0,0|1,0,1]=4 6992 B14R1.465 C=CCc1ccc(cc1)OCCCO 7a_100000078792_100011215043 [1,0,1,0,0,0|1,0,1]=4 6993 B14R1.465 C=CCc1ccc(cc1)OCCOC 34a_100000078792_100011201679 [1,0,1,0,0,0|1,0,1]=4 6994 B14R1.465 C=CCc1ccc(cc1)OCCOC 7a_100000078792_100000233755 [1,0,1,0,0,0|1,0,1]=4 6995 B14R1.465 C=CCc1ccc(cc1)OCCSC 34a_100000078792_100000212216 [1,0,1,0,0,0|1,0,1]=4 6996 B14R1.465 C=CCc1ccc(cc1)OCCSC 7a_100000078792_100000212216 [1,0,1,0,0,0|1,0,1]=4 6997 B14R1.465 C=COc1ccc(cc1)SCCCC 62a_100000210211_100000704263 [1,0,1,0,0,0|1,1,0]=4 6998 B14R1.465 C=COc1ccc(cc1)SCCCC 62a_100000704263_100000210210 [1,0,1,0,0,0|1,1,0]=4 6999 B14R1.465 CC=Cc1ccc(cc1)CCCCC 271570a_100016259895_100009813665 [1,0,1,0,0,0|1,0,1]=4 7000 B14R1.465 CC=Cc1ccc(cc1)OCCCC 271570a_100016259895_100000230682 [1,0,1,0,0,0|0,0,1]=3 7001 B14R1.465 CC=Cc1ccc(cc1)OCCCO 271570a_100016259895_100000756186 [1,0,1,0,0,0|1,0,1]=4 7002 B14R1.465 CC=Cc1ccc(cc1)OCCOC 271570a_100016259895_100000234135 [1,0,1,0,0,0|1,0,1]=4 7003 B14R1.465 CCCCSc1ccc(cc1)/C=C/Br 62a_100000210211_200016255901 [1,0,1,0,0,0|1,1,0]=4 7004 B14R1.465 CCCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210210 [1,0,1,0,0,0|1,1,0]=4 7005 B14R1.476 C=Cc1ccccc1C=NNCCC 4a_100000740057_200011996377 [1,0,1,0,0,0|2,0,0]=4 7006 B14R1.476 C=Cc1ccccc1COCCCC 34a_200010883148_100000210210 [1,0,1,0,0,0|0,0,1]=3 7007 B14R1.476 C=Cc1ccccc1COCCCC 7a_200010883148_100000210211 [1,0,1,0,0,0|0,0,1]=3 7008 B14R1.476 C=Cc1ccccc1COCCCF 34a_200010883148_100011934791 [1,0,1,0,0,0|1,0,1]=4 7009 B14R1.476 C=Cc1ccccc1COCCCF 7a_200010883148_100011934791 [1,0,1,0,0,0|1,0,1]=4 7010 B14R1.476 C=Cc1ccccc1COCCCO 34a_200010883148_100000230001 [1,0,1,0,0,0|1,0,1]=4 7011 B14R1.476 C=Cc1ccccc1COCCCO 7a_200010883148_100011215043 [1,0,1,0,0,0|1,0,1]=4 7012 B14R1.476 C=Cc1ccccc1COCCOC 34a_200010883148_100011201679 [1,0,1,0,0,0|1,0,1]=4 7013 B14R1.476 C=Cc1ccccc1COCCOC 7a_200010883148_100000233755 [1,0,1,0,0,0|1,0,1]=4 7014 B14R1.476 C=Cc1ccccc1COCCSC 34a_200010883148_100000212216 [1,0,1,0,0,0|1,0,1]=4 7015 B14R1.476 C=Cc1ccccc1COCCSC 7a_200010883148_100000212216 [1,0,1,0,0,0|1,0,1]=4 7016 B14R1.476 C=Cc1ccccc1CSCCCC 271570a_100011290941_200011870348 [1,0,1,0,0,0|0,1,1]=4 7017 B14R1.476 C=Cc1ccccc1NCCCCC 34a_100012022501_100000718602 [1,0,1,0,0,0|1,0,1]=4 7018 B14R1.476 C=Cc1ccccc1SCCCCC 62a_100000210326_100011218376 [1,0,1,0,0,0|1,0,1]=4 7019 B14R1.476 C=Cc1ccccc1SCCCCC 62a_100011218376_100000210326 [1,0,1,0,0,0|1,0,1]=4 7020 B14R1.476 CCCCC=Cc1ccccc1C#N 271570a_100016275911_100000188569 [1,0,1,0,0,0|1,0,1]=4 7021 B14R1.476 CCCCC=Cc1ccccc1C=O 271570a_100016275911_100000211189 [1,0,1,0,0,0|1,0,0]=3 7022 B14R1.476 CCCCC=Cc1ccccc1CC 271570a_100016275911_100011215823 [1,0,1,0,0,0|0,0,2]=4 7023 B14R1.476 CCCCC=Cc1ccccc1CN 271570a_100016275911_100000689332 [1,0,1,0,0,0|1,0,1]=4 7024 B14R1.476 CCCCC=Cc1ccccc1CO 271570a_100016275911_100000187465 [1,0,1,0,0,0|1,0,1]=4 7025 B14R1.476 CCCCC=Cc1ccccc1NC 271570a_100016275911_100020606079 [1,0,1,0,0,0|1,0,1]=4 7026 B14R1.476 CCCCC=Cc1ccccc1NN 271570a_100016275911_100000241748 [1,0,1,0,0,0|2,0,0]=4 7027 B14R1.476 CCCCC=Cc1ccccc1OC 271570a_100016275911_100000174000 [1,0,1,0,0,0|1,0,1]=4 7028 B14R1.476 CCCCC=Cc1ccccc1SC 271570a_100016275911_100011217816 [1,0,1,0,0,0|1,0,1]=4 7029 B14R1.476 CCCCC=Cc1cccnc1C=O 271570a_100016275911_100011934733 [1,0,1,0,0,0|2,0,0]=4 7030 B14R1.476 CCCCC=Cc1ccncc1C=O 271570a_100016275911_100000050567 [1,0,1,0,0,0|2,0,0]=4 7031 B14R1.476 CCCCC=Cc1cnccc1C=O 271570a_100016275911_100011934409 [1,0,1,0,0,0|2,0,0]=4 7032 B14R1.476 CCCCC=Cc1ncccc1C=O 271570a_100016275911_100009816751 [1,0,1,0,0,0|2,0,0]=4 7033 B14R1.476 CCCCOCc1ccccc1C=O 34a_100000210227_200009853537 [1,0,1,0,0,0|1,0,1]=4 7034 B14R1.476 CCCCOCc1ccccc1C=O 7a_100000210227_200009853537 [1,0,1,0,0,0|1,0,1]=4 7035 B14R1.779 C=CCNc1cccc(c1)CCCC 2230a_200012017287_100000210623 [1,0,1,0,0,0|1,0,1]=4 7036 B14R1.779 C=CCNc1cccc(c1)CCCC 34a_200012017287_100015514636 [1,0,1,0,0,0|1,0,1]=4 7037 B14R1.779 C=CCNc1cccc(c1)CCCC 7a_200012017287_100015514636 [1,0,1,0,0,0|1,0,1]=4 7038 B14R1.779 C=CCOc1cccc(c1)OCCC 34a_100000748497_100015514636 [1,0,1,0,0,0|1,0,1]=4 7039 B14R1.779 C=CCOc1cccc(c1)OCCC 7a_100000748497_100015514636 [1,0,1,0,0,0|1,0,1]=4 7040 B14R1.779 C=CCSc1cccc(c1)CCCC 62a_100000210623_200010244551 [1,0,1,0,0,0|1,0,1]=4 7041 B14R1.779 C=CCSc1cccc(c1)CCCC 62a_200010244551_100000210623 [1,0,1,0,0,0|1,0,1]=4 7042 B14R1.779 C=CCSc1cccc(c1)OCCC 62a_100000170004_100000210623 [1,0,1,0,0,0|1,0,1]=4 7043 B14R1.779 C=CCSc1cccc(c1)OCCC 62a_100000210623_100000170004 [1,0,1,0,0,0|1,0,1]=4 7044 B14R1.898 C=C=Cc1cccc(c1)OCCCC 271570a_100015277604_200011212284 [1,0,1,0,0,0|0,0,1]=3 7045 B14R1.898 C=C=Cc1cccc(c1)OCCNC 271570a_100015277604_200000225663 [1,0,1,0,0,0|1,0,1]=4 7046 B14R1.898 C=C=Cc1cccc(c1)OCCOC 271570a_100015277604_100000742273 [1,0,1,0,0,0|1,0,1]=4 7047 B14R1.898 C=C=Cc1cccc(c1)SCCCC 271570a_100015277604_100010128134 [1,0,1,0,0,0|0,1,1]=4 7048 B14R1.898 C=C=Cc1cccc(n1)OCCCC 271570a_100015277604_200011960251 [1,0,1,0,0,0|1,0,1]=4 7049 B14R1.898 C=CCc1cccc(c1)SCCCC 62a_100000210211_100009816576 [1,0,1,0,0,0|0,1,1]=4 7050 B14R1.898 C=CCc1cccc(c1)SCCCC 62a_100009816576_100000210210 [1,0,1,0,0,0|0,1,1]=4 7051 B14R1.898 CC=Cc1cccc(c1)OCCCC 271570a_100016259895_200011212284 [1,0,1,0,0,0|0,0,1]=3 7052 B14R1.898 CC=Cc1cccc(c1)OCCNC 271570a_100016259895_200000225663 [1,0,1,0,0,0|1,0,1]=4 7053 B14R1.898 CC=Cc1cccc(c1)OCCOC 271570a_100016259895_100000742273 [1,0,1,0,0,0|1,0,1]=4 7054 B14R1.898 CC=Cc1cccc(c1)SCCCC 271570a_100016259895_100010128134 [1,0,1,0,0,0|0,1,1]=4 7055 B14R1.898 CC=Cc1cccc(n1)OCCCC 271570a_100016259895_200011960251 [1,0,1,0,0,0|1,0,1]=4 7056 B14R1.907 C=Cc1cc(ccc1F)SCCCC 62a_100000210211_100000688377 [1,0,1,0,0,0|1,1,0]=4 7057 B14R1.907 C=Cc1cc(ccc1F)SCCCC 62a_100000688377_100000210210 [1,0,1,0,0,0|1,1,0]=4 7058 B14R1.793 CCCCc1ccc(c(c1)C=O)C=O 271570a_100020621405_200010077131 [1,0,1,0,0,0|2,0,0]=4 7059 B14R1.909 C=Cc1ccc(cc1C)OCCCC 271570a_100011290941_200012350294 [1,0,1,0,0,0|0,0,1]=3 7060 B14R1.909 C=Cc1ccc(cc1F)OCCCC 271570a_100011290941_200012236941 [1,0,1,0,0,0|1,0,0]=3 7061 B14R1.909 C=Cc1ccc(cc1F)SCCCC 62a_100000210211_100011935271 [1,0,1,0,0,0|1,1,0]=4 7062 B14R1.909 C=Cc1ccc(cc1F)SCCCC 62a_100011935271_100000210210 [1,0,1,0,0,0|1,1,0]=4 7063 B14R1.909 C=Cc1cnc(cc1C)OCCCC 271570a_100011290941_200013759037 [1,0,1,0,0,0|1,0,1]=4 7064 B14R1.795 C=C=Cc1ccc(cc1C)OCCC 271570a_100015277604_200012361509 [1,0,1,0,0,0|0,0,2]=4 7065 B14R1.795 C=C=Cc1ccc(cc1F)OCCC 271570a_100015277604_200012236930 [1,0,1,0,0,0|1,0,1]=4 7066 B14R1.795 CC=Cc1ccc(cc1C)OCCC 271570a_100016259895_200012361509 [1,0,1,0,0,0|0,0,2]=4 7067 B14R1.795 CC=Cc1ccc(cc1F)OCCC 271570a_100016259895_200012236930 [1,0,1,0,0,0|1,0,1]=4 7068 B14R1.946 CCCCC(=Cc1ccccc1C)Br 271570a_206741709834_100000210755 [1,0,1,0,0,0|1,0,1]=4 7069 B14R1.946 CCCCC(=Cc1ccccc1F)Br 271570a_206741709834_100011215700 [1,0,1,0,0,0|2,0,0]=4 7070 B14R1.946 CCCCC(=Cc1ccccc1N)Br 271570a_206741709834_100000210017 [1,0,1,0,0,0|2,0,0]=4 7071 B14R1.946 CCCCC(=Cc1ccccc1O)Br 271570a_206741709834_100000739446 [1,0,1,0,0,0|2,0,0]=4 7072 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [2,0,0,0,0,0|0,0,2]=4 7073 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [2,0,0,0,0,0|1,0,0]=3 7074 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [2,0,0,0,0,0|1,0,0]=3 7075 B14R2.112 CCNc1ccc2ccccc2n1 27a_100015525214_100011291633 [2,0,0,0,0,0|2,0,0]=4 7076 B14R2.112 CCNc1ccc2cccnc2c1 34a_100102887122_100000210202 [2,0,0,0,0,0|2,0,0]=4 7077 B14R2.112 CCNc1ccc2cnccc2c1 34a_100000039641_100000210202 [2,0,0,0,0,0|2,0,0]=4 7078 B14R2.112 CCNc1ccc2ncccc2c1 34a_100011198106_100000210202 [2,0,0,0,0,0|2,0,0]=4 7079 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [2,0,0,0,0,0|0,0,0]=2 7080 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [2,0,0,0,0,0|0,0,0]=2 7081 B14R2.112 CCOc1ccc2cccnc2c1 34a_100011216045_100000210202 [2,0,0,0,0,0|1,0,0]=3 7082 B14R2.112 CCOc1ccc2ccncc2c1 7a_100000752006_100000210202 [2,0,0,0,0,0|1,0,0]=3 7083 B14R2.112 CCOc1ccc2cnccc2c1 34a_100000046372_100000210202 [2,0,0,0,0,0|1,0,0]=3 7084 B14R2.112 CCOc1ccc2cnccc2c1 7a_100000046372_100000210202 [2,0,0,0,0,0|1,0,0]=3 7085 B14R2.112 CCOc1ccc2ncccc2c1 34a_100011215586_100000210202 [2,0,0,0,0,0|1,0,0]=3 7086 B14R2.112 CCOc1ccc2ncccc2c1 7a_100011215586_100000210202 [2,0,0,0,0,0|1,0,0]=3 7087 B14R2.112 CCOc1ccc2nccnc2c1 34a_100000694412_100000210202 [2,0,0,0,0,0|2,0,0]=4 7088 B14R2.112 CCOc1cnc2ccccc2c1 34a_100011934006_100000210202 [2,0,0,0,0,0|1,0,0]=3 7089 B14R2.112 CCOc1cnc2ccccc2c1 7a_100011934006_100000210202 [2,0,0,0,0,0|1,0,0]=3 7090 B14R2.112 CCSc1cc2ccccc2cn1 62a_100000210202_100000047361 [2,0,0,0,0,0|1,1,0]=4 7091 B14R2.112 CCSc1cc2ccccc2cn1 62a_100009816522_100000210202 [2,0,0,0,0,0|1,1,0]=4 7092 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [2,0,0,0,0,0|0,1,0]=3 7093 B14R2.112 CCSc1ccc2ccccc2n1 62a_100000210202_100011291633 [2,0,0,0,0,0|1,1,0]=4 7094 B14R2.112 CCSc1ccc2ccccc2n1 62a_100011291633_100000210202 [2,0,0,0,0,0|1,1,0]=4 7095 B14R2.112 CCSc1ccc2cccnc2c1 62a_100000210202_100009816655 [2,0,0,0,0,0|1,1,0]=4 7096 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000210202_100000686496 [2,0,0,0,0,0|1,1,0]=4 7097 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000686496_100000210202 [2,0,0,0,0,0|1,1,0]=4 7098 B14R2.112 CCSc1ccc2cnccc2c1 62a_100000210202_100009816743 [2,0,0,0,0,0|1,1,0]=4 7099 B14R2.112 CCSc1ccc2cnccc2c1 62a_100009816743_100000210202 [2,0,0,0,0,0|1,1,0]=4 7100 B14R2.112 CCSc1ccc2ncccc2c1 62a_100000210202_100011215947 [2,0,0,0,0,0|1,1,0]=4 7101 B14R2.112 CCSc1ccc2ncccc2c1 62a_100011215947_100000210202 [2,0,0,0,0,0|1,1,0]=4 7102 B14R2.112 CCSc1cnc2ccccc2c1 62a_100000210202_100000737414 [2,0,0,0,0,0|1,1,0]=4 7103 B14R2.112 CNCc1cc2ccccc2cn1 207a_100102657272_100000059776 [2,0,0,0,0,0|2,0,0]=4 7104 B14R2.112 CNCc1cc2ccccc2cn1 2230a_106832991635_100009869231 [2,0,0,0,0,0|2,0,0]=4 7105 B14R2.112 CNCc1cc2ccccc2cn1 270004a_106832991635_100000059776 [2,0,0,0,0,0|2,0,0]=4 7106 B14R2.112 CNCc1cc2ccccc2cn1 34a_100102657272_100009869231 [2,0,0,0,0,0|2,0,0]=4 7107 B14R2.112 CNCc1cc2ccccc2cn1 7a_106832991635_100009869231 [2,0,0,0,0,0|2,0,0]=4 7108 B14R2.112 CNCc1ccc2ccccc2c1 207a_100102657272_100000211584 [2,0,0,0,0,0|1,0,0]=3 7109 B14R2.112 CNCc1ccc2ccccc2c1 2230a_100000739491_200000210301 [2,0,0,0,0,0|1,0,0]=3 7110 B14R2.112 CNCc1ccc2ccccc2c1 2230a_106832991635_100011216711 [2,0,0,0,0,0|1,0,0]=3 7111 B14R2.112 CNCc1ccc2ccccc2c1 270004a_106832991635_100000211584 [2,0,0,0,0,0|1,0,0]=3 7112 B14R2.112 CNCc1ccc2ccccc2c1 34a_100000739491_200000210301 [2,0,0,0,0,0|1,0,0]=3 7113 B14R2.112 CNCc1ccc2ccccc2c1 34a_100102657272_100011216711 [2,0,0,0,0,0|1,0,0]=3 7114 B14R2.112 CNCc1ccc2ccccc2c1 7a_106832991635_100011216711 [2,0,0,0,0,0|1,0,0]=3 7115 B14R2.112 CNCc1ccc2ccccc2n1 207a_100102657272_100000759686 [2,0,0,0,0,0|2,0,0]=4 7116 B14R2.112 CNCc1ccc2ccccc2n1 2230a_106832991635_100000737579 [2,0,0,0,0,0|2,0,0]=4 7117 B14R2.112 CNCc1ccc2ccccc2n1 270004a_106832991635_100000759686 [2,0,0,0,0,0|2,0,0]=4 7118 B14R2.112 CNCc1ccc2ccccc2n1 34a_100102657272_100000737579 [2,0,0,0,0,0|2,0,0]=4 7119 B14R2.112 CNCc1ccc2ccccc2n1 7a_106832991635_100000737579 [2,0,0,0,0,0|2,0,0]=4 7120 B14R2.112 CNCc1ccc2cccnc2c1 207a_100102657272_100011784159 [2,0,0,0,0,0|2,0,0]=4 7121 B14R2.112 CNCc1ccc2cccnc2c1 270004a_106832991635_100011784159 [2,0,0,0,0,0|2,0,0]=4 7122 B14R2.112 CNCc1ccc2cnccc2c1 207a_100102657272_100000068276 [2,0,0,0,0,0|2,0,0]=4 7123 B14R2.112 CNCc1ccc2cnccc2c1 2230a_106832991635_100020605334 [2,0,0,0,0,0|2,0,0]=4 7124 B14R2.112 CNCc1ccc2cnccc2c1 270004a_106832991635_100000068276 [2,0,0,0,0,0|2,0,0]=4 7125 B14R2.112 CNCc1ccc2cnccc2c1 34a_100102657272_100020605334 [2,0,0,0,0,0|2,0,0]=4 7126 B14R2.112 CNCc1ccc2cnccc2c1 7a_106832991635_100020605334 [2,0,0,0,0,0|2,0,0]=4 7127 B14R2.112 CNCc1ccc2ncccc2c1 207a_100102657272_100000211315 [2,0,0,0,0,0|2,0,0]=4 7128 B14R2.112 CNCc1ccc2ncccc2c1 2230a_106832991635_100000703657 [2,0,0,0,0,0|2,0,0]=4 7129 B14R2.112 CNCc1ccc2ncccc2c1 270004a_106832991635_100000211315 [2,0,0,0,0,0|2,0,0]=4 7130 B14R2.112 CNCc1ccc2ncccc2c1 34a_100000238500_200000210301 [2,0,0,0,0,0|2,0,0]=4 7131 B14R2.112 CNCc1ccc2ncccc2c1 34a_100102657272_100000703657 [2,0,0,0,0,0|2,0,0]=4 7132 B14R2.112 CNCc1ccc2ncccc2c1 7a_106832991635_100000703657 [2,0,0,0,0,0|2,0,0]=4 7133 B14R2.112 CNCc1cnc2ccccc2c1 207a_100102657272_100000750898 [2,0,0,0,0,0|2,0,0]=4 7134 B14R2.112 CNCc1cnc2ccccc2c1 270004a_106832991635_100000750898 [2,0,0,0,0,0|2,0,0]=4 7135 B14R2.112 CNCc1cnc2ccccc2c1 34a_100000742225_200000210301 [2,0,0,0,0,0|2,0,0]=4 7136 B14R2.112 COCc1cc2ccccc2cn1 34a_100138415774_100009869231 [2,0,0,0,0,0|2,0,0]=4 7137 B14R2.112 COCc1ccc2ccccc2c1 34a_100011215330_200000210301 [2,0,0,0,0,0|1,0,0]=3 7138 B14R2.112 COCc1ccc2ccccc2c1 34a_100138415774_100011216711 [2,0,0,0,0,0|1,0,0]=3 7139 B14R2.112 COCc1ccc2ccccc2c1 7a_100011215330_200000210301 [2,0,0,0,0,0|1,0,0]=3 7140 B14R2.112 COCc1ccc2ccccc2n1 34a_100138415774_100000737579 [2,0,0,0,0,0|2,0,0]=4 7141 B14R2.112 COCc1ccc2cnccc2c1 34a_100138415774_100020605334 [2,0,0,0,0,0|2,0,0]=4 7142 B14R2.112 COCc1ccc2ncccc2c1 34a_100011315636_200000210301 [2,0,0,0,0,0|2,0,0]=4 7143 B14R2.112 COCc1ccc2ncccc2c1 34a_100138415774_100000703657 [2,0,0,0,0,0|2,0,0]=4 7144 B14R2.112 COCc1cnc2ccccc2c1 34a_100011258773_200000210301 [2,0,0,0,0,0|2,0,0]=4 7145 B14R2.112 CSCc1cc2ccccc2cn1 62a_100009869231_200000210301 [2,0,0,0,0,0|2,0,0]=4 7146 B14R2.112 CSCc1cc2ccccc2cn1 62a_200000210301_100009869231 [2,0,0,0,0,0|2,0,0]=4 7147 B14R2.112 CSCc1ccc2ccccc2c1 62a_100011216711_200000210301 [2,0,0,0,0,0|1,0,0]=3 7148 B14R2.112 CSCc1ccc2ccccc2c1 62a_200000210301_100011216711 [2,0,0,0,0,0|1,0,0]=3 7149 B14R2.112 CSCc1ccc2ccccc2n1 62a_100000737579_200000210301 [2,0,0,0,0,0|2,0,0]=4 7150 B14R2.112 CSCc1ccc2ccccc2n1 62a_200000210301_100000737579 [2,0,0,0,0,0|2,0,0]=4 7151 B14R2.112 CSCc1ccc2cnccc2c1 62a_100020605334_200000210301 [2,0,0,0,0,0|2,0,0]=4 7152 B14R2.112 CSCc1ccc2cnccc2c1 62a_200000210301_100020605334 [2,0,0,0,0,0|2,0,0]=4 7153 B14R2.112 CSCc1ccc2ncccc2c1 62a_100000703657_200000210301 [2,0,0,0,0,0|2,0,0]=4 7154 B14R2.112 CSCc1ccc2ncccc2c1 62a_200000210301_100000703657 [2,0,0,0,0,0|2,0,0]=4 7155 B14R2.112 FCNc1ccc2ccccc2c1 34a_100000211940_100015361967 [2,0,0,0,0,0|2,0,0]=4 7156 B14R2.112 FCNc1ccc2ccccc2c1 7a_100000211940_100015361967 [2,0,0,0,0,0|2,0,0]=4 7157 B14R2.112 FCOc1ccc2ccccc2c1 34a_100000185828_100015361967 [2,0,0,0,0,0|1,0,0]=3 7158 B14R2.112 FCOc1ccc2ccccc2c1 7a_100000185828_100015361967 [2,0,0,0,0,0|1,0,0]=3 7159 B14R2.112 FCOc1ccc2cccnc2c1 34a_100011216045_100015361967 [2,0,0,0,0,0|2,0,0]=4 7160 B14R2.112 FCOc1ccc2ccncc2c1 7a_100000752006_100015361967 [2,0,0,0,0,0|2,0,0]=4 7161 B14R2.112 FCOc1ccc2cnccc2c1 34a_100000046372_100015361967 [2,0,0,0,0,0|2,0,0]=4 7162 B14R2.112 FCOc1ccc2cnccc2c1 7a_100000046372_100015361967 [2,0,0,0,0,0|2,0,0]=4 7163 B14R2.112 FCOc1ccc2ncccc2c1 34a_100011215586_100015361967 [2,0,0,0,0,0|2,0,0]=4 7164 B14R2.112 FCOc1ccc2ncccc2c1 7a_100011215586_100015361967 [2,0,0,0,0,0|2,0,0]=4 7165 B14R2.112 FCOc1cnc2ccccc2c1 34a_100011934006_100015361967 [2,0,0,0,0,0|2,0,0]=4 7166 B14R2.112 FCOc1cnc2ccccc2c1 7a_100011934006_100015361967 [2,0,0,0,0,0|2,0,0]=4 7167 B14R2.112 FCSc1ccc2ccccc2c1 62a_100015361967_100000233703 [2,0,0,0,0,0|1,1,0]=4 7168 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 2230a_100000739491_200025704644 [2,0,0,0,0,0|1,0,0]=3 7169 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 34a_100000739491_200025704644 [2,0,0,0,0,0|1,0,0]=3 7170 B14R2.112 [13CH3]NCc1ccc2ncccc2c1 34a_100000238500_200025704644 [2,0,0,0,0,0|2,0,0]=4 7171 B14R2.112 [13CH3]NCc1cnc2ccccc2c1 34a_100000742225_200025704644 [2,0,0,0,0,0|2,0,0]=4 7172 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 34a_100011215330_200025704644 [2,0,0,0,0,0|1,0,0]=3 7173 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 7a_100011215330_200025704644 [2,0,0,0,0,0|1,0,0]=3 7174 B14R2.112 [13CH3]OCc1ccc2ncccc2c1 34a_100011315636_200025704644 [2,0,0,0,0,0|2,0,0]=4 7175 B14R2.112 [13CH3]OCc1cnc2ccccc2c1 34a_100011258773_200025704644 [2,0,0,0,0,0|2,0,0]=4 7176 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_100009869231_200025704644 [2,0,0,0,0,0|2,0,0]=4 7177 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_200025704644_100009869231 [2,0,0,0,0,0|2,0,0]=4 7178 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_100011216711_200025704644 [2,0,0,0,0,0|1,0,0]=3 7179 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_200025704644_100011216711 [2,0,0,0,0,0|1,0,0]=3 7180 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_100000737579_200025704644 [2,0,0,0,0,0|2,0,0]=4 7181 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_200025704644_100000737579 [2,0,0,0,0,0|2,0,0]=4 7182 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_100020605334_200025704644 [2,0,0,0,0,0|2,0,0]=4 7183 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_200025704644_100020605334 [2,0,0,0,0,0|2,0,0]=4 7184 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_100000703657_200025704644 [2,0,0,0,0,0|2,0,0]=4 7185 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_200025704644_100000703657 [2,0,0,0,0,0|2,0,0]=4 7186 B16R1.35 CCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210326 [0,1,1,0,0,0|2,0,0]=4 7187 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 11a_100000102301_100000743005 [0,1,1,0,0,0|2,0,0]=4 7188 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 1626a_100000102301_100000743005 [0,1,1,0,0,0|2,0,0]=4 7189 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 240690a_100000102301_100000743005 [0,1,1,0,0,0|2,0,0]=4 7190 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 527a_100000102301_100000743005 [0,1,1,0,0,0|2,0,0]=4 7191 B16R1.35 CCCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000211628 [0,1,1,0,0,0|1,0,1]=4 7192 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210326 [0,1,1,0,0,0|2,0,0]=4 7193 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215151 [0,1,1,0,0,0|2,0,0]=4 7194 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210326 [0,1,1,0,0,0|2,0,0]=4 7195 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210326 [0,1,1,0,0,0|2,0,0]=4 7196 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210326 [0,1,1,0,0,0|2,0,0]=4 7197 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215151 [0,1,1,0,0,0|2,0,0]=4 7198 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210326 [0,1,1,0,0,0|2,0,0]=4 7199 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215151 [0,1,1,0,0,0|2,0,0]=4 7200 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000102301_100016267368 [0,1,1,0,0,0|2,0,0]=4 7201 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000102301_100016267368 [0,1,1,0,0,0|2,0,0]=4 7202 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 11a_100000102301_100000716854 [0,1,1,0,0,0|2,0,0]=4 7203 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000102301_100000716854 [0,1,1,0,0,0|2,0,0]=4 7204 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000102301_100000716854 [0,1,1,0,0,0|2,0,0]=4 7205 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000102301_100000184863 [0,1,1,0,0,0|2,0,0]=4 7206 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000102301_100000184863 [0,1,1,0,0,0|2,0,0]=4 7207 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000102301_100000184863 [0,1,1,0,0,0|2,0,0]=4 7208 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 11a_100000102301_100000182136 [0,1,1,0,0,0|2,0,0]=4 7209 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000102301_100000182136 [0,1,1,0,0,0|2,0,0]=4 7210 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000102301_100000182136 [0,1,1,0,0,0|2,0,0]=4 7211 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 11a_100000102301_100102526154 [0,1,1,0,0,0|2,0,0]=4 7212 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000102301_100102526154 [0,1,1,0,0,0|2,0,0]=4 7213 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000102301_100102526154 [0,1,1,0,0,0|2,0,0]=4 7214 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000102301_100016269017 [0,1,1,0,0,0|2,0,0]=4 7215 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210326 [0,1,1,0,0,0|2,0,0]=4 7216 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215151 [0,1,1,0,0,0|2,0,0]=4 7217 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210326 [0,1,1,0,0,0|2,0,0]=4 7218 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210326 [0,1,1,0,0,0|2,0,0]=4 7219 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210326 [0,1,1,0,0,0|2,0,0]=4 7220 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215151 [0,1,1,0,0,0|2,0,0]=4 7221 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210326 [0,1,1,0,0,0|2,0,0]=4 7222 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215151 [0,1,1,0,0,0|2,0,0]=4 7223 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 11a_100000102301_100016258244 [0,1,1,0,0,0|2,0,0]=4 7224 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000102301_100016258244 [0,1,1,0,0,0|2,0,0]=4 7225 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000102301_100016258244 [0,1,1,0,0,0|2,0,0]=4 7226 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 11a_100000102301_100000690095 [0,1,1,0,0,0|2,0,0]=4 7227 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 1626a_100000102301_100000690095 [0,1,1,0,0,0|2,0,0]=4 7228 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 240690a_100000102301_100000690095 [0,1,1,0,0,0|2,0,0]=4 7229 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000102301_100000184502 [0,1,1,0,0,0|2,0,0]=4 7230 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000102301_100000184502 [0,1,1,0,0,0|2,0,0]=4 7231 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000102301_100000184502 [0,1,1,0,0,0|2,0,0]=4 7232 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 11a_100000102301_100000718793 [0,1,1,0,0,0|2,0,0]=4 7233 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 1626a_100000102301_100000718793 [0,1,1,0,0,0|2,0,0]=4 7234 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 240690a_100000102301_100000718793 [0,1,1,0,0,0|2,0,0]=4 7235 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 11a_100000102301_100020647043 [0,1,1,0,0,0|2,0,0]=4 7236 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 1626a_100000102301_100020647043 [0,1,1,0,0,0|2,0,0]=4 7237 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 240690a_100000102301_100020647043 [0,1,1,0,0,0|2,0,0]=4 7238 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214892 [0,1,1,0,0,0|2,0,0]=4 7239 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 11a_100000210545_100000210462 [0,1,1,0,0,0|2,0,0]=4 7240 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 1626a_100000210545_100000210462 [0,1,1,0,0,0|2,0,0]=4 7241 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000718107 [0,1,1,0,0,0|2,0,0]=4 7242 B16R1.688 CCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210757 [0,1,1,0,0,0|2,0,0]=4 7243 B16R1.688 CCCCCNC(=O)C=Cc1ccccc1 11a_100000209983_100000210462 [0,1,1,0,0,0|2,0,0]=4 7244 B16R1.688 CCCCCNC(=O)C=Cc1ccccc1 1626a_100000209983_100000210462 [0,1,1,0,0,0|2,0,0]=4 7245 B16R1.688 CCCCNN=C(C)C=Cc1ccccc1 4a_100025702795_100000204604 [0,1,1,0,0,0|1,0,1]=4 7246 B16R1.688 CCCCNNC(=O)C=Cc1ccccc1 22a_100025702795_100000210462 [0,1,1,0,0,0|2,0,0]=4 7247 B16R1.688 CCCCOCC(=O)C=Cc1ccccc1 1458a_100000210462_100011995733 [0,1,1,0,0,0|1,0,0]=3 7248 B16R1.688 CCCCOCC(=O)C=Cc1ccccn1 1458a_100000740811_100011995733 [0,1,1,0,0,0|2,0,0]=4 7249 B16R1.688 CCCCOCC(=O)C=Cc1cccnc1 1458a_100000735890_100011995733 [0,1,1,0,0,0|2,0,0]=4 7250 B16R1.688 CCCCOCC(=O)C=Cc1ccncc1 1458a_100000682801_100011995733 [0,1,1,0,0,0|2,0,0]=4 7251 B16R1.688 CCCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215938 [0,1,1,0,0,0|2,0,0]=4 7252 B16R1.688 CCOCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100012232248 [0,1,1,0,0,0|2,0,0]=4 7253 B16R1.688 CCOCCNC(=O)C=Cc1ccccc1 11a_100011200944_100000210462 [0,1,1,0,0,0|2,0,0]=4 7254 B16R1.688 CCOCCNC(=O)C=Cc1ccccc1 1626a_102516460346_100000210462 [0,1,1,0,0,0|2,0,0]=4 7255 B16R1.688 CCSCCNC(=O)C=Cc1ccccc1 11a_100000106463_100000210462 [0,1,1,0,0,0|2,0,0]=4 7256 B16R1.688 CCSCCNC(=O)C=Cc1ccccc1 1626a_100000106463_100000210462 [0,1,1,0,0,0|2,0,0]=4 7257 B16R1.688 COCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000755781 [0,1,1,0,0,0|2,0,0]=4 7258 B16R1.688 COCCCNC(=O)C=Cc1ccccc1 1626a_100150723488_100000210462 [0,1,1,0,0,0|2,0,0]=4 7259 B16R1.688 CSCCCNC(=O)C=Cc1ccccc1 11a_100000749238_100000210462 [0,1,1,0,0,0|2,0,0]=4 7260 B16R1.688 CSCCCNC(=O)C=Cc1ccccc1 1626a_100000749238_100000210462 [0,1,1,0,0,0|2,0,0]=4 7261 B16R1.688 O=C(C=Cc1ccccc1)CCCCCF 1458a_100000210462_100000729378 [0,1,1,0,0,0|2,0,0]=4 7262 B16R1.688 O=C(C=Cc1ccccc1)CCCCCO 1458a_100000210462_100000746330 [0,1,1,0,0,0|2,0,0]=4 7263 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210326 [0,1,1,0,0,0|2,0,0]=4 7264 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210326 [0,1,1,0,0,0|2,0,0]=4 7265 B16R1.1216 CCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210326 [0,1,1,0,0,0|2,0,0]=4 7266 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000102301_100016990649 [0,1,1,0,0,0|2,0,0]=4 7267 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000102301_100016990649 [0,1,1,0,0,0|2,0,0]=4 7268 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000102301_100016990649 [0,1,1,0,0,0|2,0,0]=4 7269 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000102301_200020598536 [0,1,1,0,0,0|2,0,0]=4 7270 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000102301_200020598536 [0,1,1,0,0,0|2,0,0]=4 7271 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000102301_200020598536 [0,1,1,0,0,0|2,0,0]=4 7272 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000102301_200020598536 [0,1,1,0,0,0|2,0,0]=4 7273 B16R1.1216 CCCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000102301_100020889036 [0,1,1,0,0,0|2,0,0]=4 7274 B16R1.1216 CCCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000102301_100020889036 [0,1,1,0,0,0|2,0,0]=4 7275 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 11a_100020588543_100000210462 [0,1,1,0,0,0|2,0,0]=4 7276 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 1626a_100020588543_100000210462 [0,1,1,0,0,0|2,0,0]=4 7277 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccc1 11a_100011218483_100000210462 [0,1,1,0,0,0|2,0,0]=4 7278 B16R1.1516 CCCCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_200011215066 [0,1,1,0,0,0|2,0,0]=4 7279 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccc1 11a_100000207549_100000210462 [0,1,1,0,0,0|2,0,0]=4 7280 B16R1.1516 CCCCN(C)C(=O)C=Cc1ccccc1 1626a_100000207549_100000210462 [0,1,1,0,0,0|2,0,0]=4 7281 B16R1.1570 CCCC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011216630 [0,1,1,0,0,0|2,0,0]=4 7282 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccc1 11a_100000741246_100000210462 [0,1,1,0,0,0|2,0,0]=4 7283 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccc1 1626a_100000741246_100000210462 [0,1,1,0,0,0|2,0,0]=4 7284 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210326 [0,1,1,0,0,0|2,0,0]=4 7285 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210326 [0,1,1,0,0,0|2,0,0]=4 7286 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210326 [0,1,1,0,0,0|2,0,0]=4 7287 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210326 [0,1,1,0,0,0|2,0,0]=4 7288 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 11a_100000102301_100000719032 [0,1,1,0,0,0|2,0,0]=4 7289 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 1626a_100000102301_100000719032 [0,1,1,0,0,0|2,0,0]=4 7290 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 240690a_100000102301_100000719032 [0,1,1,0,0,0|2,0,0]=4 7291 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1C 1626a_100000102301_100016266485 [0,1,1,0,0,0|2,0,0]=4 7292 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 11a_100000102301_100000720304 [0,1,1,0,0,0|2,0,0]=4 7293 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 1626a_100000102301_100000720304 [0,1,1,0,0,0|2,0,0]=4 7294 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 240690a_100000102301_100000720304 [0,1,1,0,0,0|2,0,0]=4 7295 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 11a_100000102301_100016256065 [0,1,1,0,0,0|2,0,0]=4 7296 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 1626a_100000102301_100016256065 [0,1,1,0,0,0|2,0,0]=4 7297 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 240690a_100000102301_100016256065 [0,1,1,0,0,0|2,0,0]=4 7298 B16R1.1218 CCCCNN=CC=Cc1ccccc1Br 4a_100025702795_200016268969 [0,1,1,0,0,0|2,0,0]=4 7299 B16R1.1218 CCCCNN=CC=Cc1ccccc1Cl 4a_100025702795_200102525841 [0,1,1,0,0,0|2,0,0]=4 7300 B16R1.1218 CCCCNN=CC=Cc1ccccc1F 4a_100025702795_200102525844 [0,1,1,0,0,0|2,0,0]=4 7301 B16R1.1418 CCCCCCC=Cc1ccccc1C=O 271570a_200015348155_100000211189 [0,1,1,0,0,0|1,0,1]=4 7302 B16R1.23 C/C=C/CNc1ccc(cc1)OCCCC 34a_100011194258_100102629194 [0,1,1,0,0,0|0,0,2]=4 7303 B16R1.23 C/C=C/COc1ccc(cc1)OCCCC 34a_100011215020_100102629194 [0,1,1,0,0,0|0,0,2]=4 7304 B16R1.23 C/C=C/COc1ccc(cc1)OCCCC 7a_100011215020_100102629194 [0,1,1,0,0,0|0,0,2]=4 7305 B16R1.23 C/C=C/CSc1ccc(cc1)OCCCC 62a_100102629194_100000230682 [0,1,1,0,0,0|0,0,2]=4 7306 B16R1.23 C=CCCNc1ccc(cc1)OCCCC 2230a_100011194258_100000754431 [0,1,1,0,0,0|0,0,2]=4 7307 B16R1.23 C=CCCNc1ccc(cc1)OCCCC 34a_100011194258_100000754431 [0,1,1,0,0,0|0,0,2]=4 7308 B16R1.23 C=CCCOc1ccc(cc1)OCCCC 34a_100011215020_100000754431 [0,1,1,0,0,0|0,0,2]=4 7309 B16R1.23 C=CCCOc1ccc(cc1)OCCCC 7a_100011215020_100000754431 [0,1,1,0,0,0|0,0,2]=4 7310 B16R1.23 C=CCCSc1ccc(cc1)OCCCC 62a_100000754431_100000230682 [0,1,1,0,0,0|0,0,2]=4 7311 B16R1.23 C=CCNCc1ccc(cc1)OCCCC 2230a_100000102300_100000210623 [0,1,1,0,0,0|0,0,2]=4 7312 B16R1.23 C=CCNCc1ccc(cc1)OCCCC 270004a_100020586998_100000188518 [0,1,1,0,0,0|0,0,2]=4 7313 B16R1.23 C=CCNCc1ccc(cc1)OCCCC 34a_100000102300_100015514636 [0,1,1,0,0,0|0,0,2]=4 7314 B16R1.23 C=CCOCc1ccc(cc1)OCCCC 34a_100011205736_100015514636 [0,1,1,0,0,0|0,0,2]=4 7315 B16R1.23 C=CCOCc1ccc(cc1)OCCCC 7a_100011205736_100015514636 [0,1,1,0,0,0|0,0,2]=4 7316 B16R1.23 CC=CCNc1ccc(cc1)OCCCC 2230a_100011194258_100000070051 [0,1,1,0,0,0|0,0,2]=4 7317 B16R1.23 CC=CCNc1ccc(cc1)OCCCC 34a_100011194258_100000070051 [0,1,1,0,0,0|0,0,2]=4 7318 B16R1.23 CC=CCOc1ccc(cc1)OCCCC 34a_100011215020_100000070051 [0,1,1,0,0,0|0,0,2]=4 7319 B16R1.23 CC=CCOc1ccc(cc1)OCCCC 7a_100011215020_100000070051 [0,1,1,0,0,0|0,0,2]=4 7320 B16R1.23 CC=CCSc1ccc(cc1)OCCCC 62a_100000070051_100000230682 [0,1,1,0,0,0|0,0,2]=4 7321 B16R1.23 CCCC=Cc1ccc(cc1)OCCCC 271570a_100016258520_100000230682 [0,1,1,0,0,0|0,0,2]=4 7322 B16R1.23 CCCCOc1ccc(cc1)C=CCOC 271570a_100016286323_100000230682 [0,1,1,0,0,0|0,0,2]=4 7323 B16R1.23 CCCCOc1ccc(cc1)C=COCC 271570a_100016256518_100000230682 [0,1,1,0,0,0|0,0,2]=4 7324 B16R1.25 C=CC(=O)Cc1ccc(cc1)OCCOC 1458a_100000185746_100011242488 [0,1,1,0,0,0|1,0,1]=4 7325 B16R1.25 C=CC(=O)Nc1ccc(cc1)CCCCC 1626a_100000211775_100000185746 [0,1,1,0,0,0|2,0,0]=4 7326 B16R1.25 C=CC(=O)Nc1ccc(cc1)CCCCC 22a_100000211775_100000185746 [0,1,1,0,0,0|2,0,0]=4 7327 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCCC 1626a_100011194258_100000185746 [0,1,1,0,0,0|1,0,0]=3 7328 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCCC 22a_100011194258_100000185746 [0,1,1,0,0,0|1,0,0]=3 7329 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCCC 34a_100011235904_100000210210 [0,1,1,0,0,0|1,0,0]=3 7330 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCCF 34a_100011235904_100011934791 [0,1,1,0,0,0|2,0,0]=4 7331 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCCO 22a_100000730458_100000185746 [0,1,1,0,0,0|2,0,0]=4 7332 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCCO 34a_100011235904_100000230001 [0,1,1,0,0,0|2,0,0]=4 7333 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCOC 1626a_100000739146_100000185746 [0,1,1,0,0,0|2,0,0]=4 7334 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCOC 22a_100000739146_100000185746 [0,1,1,0,0,0|2,0,0]=4 7335 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCOC 34a_100011235904_100011201679 [0,1,1,0,0,0|2,0,0]=4 7336 B16R1.25 C=CC(=O)Nc1ccc(cc1)OCCSC 34a_100011235904_100000212216 [0,1,1,0,0,0|2,0,0]=4 7337 B16R1.25 C=CC(C)Sc1ccc(cc1)OCCCC 62a_100011215867_100000230682 [0,1,1,0,0,0|1,0,1]=4 7338 B16R1.26 C=CCC(=O)c1ccc(cc1)CCCCC 1458a_100000037971_100000210623 [0,1,1,0,0,0|1,0,1]=4 7339 B16R1.26 C=CCC(=O)c1ccc(cc1)OCCCC 1458a_100000182901_100000210623 [0,1,1,0,0,0|0,0,1]=3 7340 B16R1.26 C=CCC(=O)c1ccc(cc1)OCCOC 1458a_100000243733_100000210623 [0,1,1,0,0,0|1,0,1]=4 7341 B16R1.26 CCCCSc1ccc(cc1)/C(=C\C=O)/Cl 62a_100000210211_200020603514 [0,1,1,0,0,0|1,1,0]=4 7342 B16R1.26 CCCCSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_100000210210 [0,1,1,0,0,0|1,1,0]=4 7343 B16R1.70 CC(C)CCSc1ccc(cc1)/C=C/C=O 62a_100000210312_100016291818 [0,1,1,0,0,0|1,1,0]=4 7344 B16R1.70 CC(C)CCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210312 [0,1,1,0,0,0|1,1,0]=4 7345 B16R1.70 CC(O)CCSc1ccc(cc1)/C=C/C=O 62a_100012276601_100016291818 [0,1,1,0,0,0|1,1,0]=4 7346 B16R1.70 CC(O)CCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100012276601 [0,1,1,0,0,0|1,1,0]=4 7347 B16R1.71 CCC(C)CSc1ccc(cc1)/C=C/C=O 62a_100000748023_100016291818 [0,1,1,0,0,0|1,1,0]=4 7348 B16R1.71 CCC(C)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000748023 [0,1,1,0,0,0|1,1,0]=4 7349 B16R1.71 CCC(O)CSc1ccc(cc1)/C=C/C=O 62a_100011218378_100016291818 [0,1,1,0,0,0|1,1,0]=4 7350 B16R1.71 CCC(O)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100011218378 [0,1,1,0,0,0|1,1,0]=4 7351 B16R1.71 CC[C@H](C)CSc1ccc(cc1)/C=C/C=O 62a_100009816398_100016291818 [0,1,1,0,0,0|1,1,0]=4 7352 B16R1.71 CC[C@H](C)CSc1ccc(cc1)/C=C/C=O 62a_100016291818_100009816398 [0,1,1,0,0,0|1,1,0]=4 7353 B16R1.666 C=C(C)CNc1ccc(cc1)OCCCC 2230a_100011194258_100000748629 [0,1,1,0,0,0|1,0,1]=4 7354 B16R1.666 C=C(C)CNc1ccc(cc1)OCCCC 34a_100011194258_100000748629 [0,1,1,0,0,0|1,0,1]=4 7355 B16R1.666 C=C(C)COc1ccc(cc1)OCCCC 34a_100011215020_100000748629 [0,1,1,0,0,0|1,0,1]=4 7356 B16R1.666 C=C(C)COc1ccc(cc1)OCCCC 7a_100011215020_100000748629 [0,1,1,0,0,0|1,0,1]=4 7357 B16R1.666 C=C(C)CSc1ccc(cc1)OCCCC 62a_100000748629_100000230682 [0,1,1,0,0,0|1,0,1]=4 7358 B16R1.666 C=C(F)CNc1ccc(cc1)OCCCC 2230a_100011194258_100009893438 [0,1,1,0,0,0|1,0,1]=4 7359 B16R1.666 C=C(F)CNc1ccc(cc1)OCCCC 34a_100011194258_100009893438 [0,1,1,0,0,0|1,0,1]=4 7360 B16R1.666 C=C(F)COc1ccc(cc1)OCCCC 34a_100011215020_100009893438 [0,1,1,0,0,0|1,0,1]=4 7361 B16R1.666 C=C(F)COc1ccc(cc1)OCCCC 7a_100011215020_100000042424 [0,1,1,0,0,0|1,0,1]=4 7362 B16R1.666 C=C(F)CSc1ccc(cc1)OCCCC 62a_100000042424_100000230682 [0,1,1,0,0,0|1,0,1]=4 7363 B16R1.666 CC(=O)/C=C/c1ccc(cc1)OCCCF 34a_100000189429_100011934791 [0,1,1,0,0,0|1,0,1]=4 7364 B16R1.666 CC(=O)/C=C/c1ccc(cc1)OCCCO 34a_100000189429_100000230001 [0,1,1,0,0,0|1,0,1]=4 7365 B16R1.666 CCCCOc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_100000210210 [0,1,1,0,0,0|0,0,1]=3 7366 B16R1.666 CCCCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000210210 [0,1,1,0,0,0|2,0,0]=4 7367 B16R1.666 CCCCOc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000230682 [0,1,1,0,0,0|0,0,2]=4 7368 B16R1.666 CCCCOc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000230682 [0,1,1,0,0,0|0,0,2]=4 7369 B16R1.666 CCCCSc1ccc(cc1)/C=C/C(=O)C 62a_100000210211_200016259395 [0,1,1,0,0,0|0,1,1]=4 7370 B16R1.666 CCCCSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_100000210210 [0,1,1,0,0,0|0,1,1]=4 7371 B16R1.666 COCCOc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_100011201679 [0,1,1,0,0,0|1,0,1]=4 7372 B16R1.666 CSCCOc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_100000212216 [0,1,1,0,0,0|1,0,1]=4 7373 B16R1.1228 C=CCNc1ccc(cc1)OCCCCC 2230a_103437854202_100000210623 [0,1,1,0,0,0|1,0,1]=4 7374 B16R1.1228 C=CCNc1ccc(cc1)OCCCCC 34a_103437854202_100015514636 [0,1,1,0,0,0|1,0,1]=4 7375 B16R1.1228 C=CCOc1ccc(cc1)OCCCCC 34a_100000183632_100015514636 [0,1,1,0,0,0|1,0,1]=4 7376 B16R1.1228 C=CCOc1ccc(cc1)OCCCCC 7a_100000183632_100015514636 [0,1,1,0,0,0|1,0,1]=4 7377 B16R1.1228 C=CCSc1ccc(cc1)OCCCCC 62a_100000210623_200011214818 [0,1,1,0,0,0|1,0,1]=4 7378 B16R1.1228 C=CCSc1ccc(cc1)OCCCNC 62a_100000210623_100102699777 [0,1,1,0,0,0|1,0,1]=4 7379 B16R1.1228 C=CCSc1ccc(cc1)OCCCNC 62a_100102699777_100000210623 [0,1,1,0,0,0|1,0,1]=4 7380 B16R1.1228 C=CCSc1ccc(cc1)OCCCOC 62a_100000210623_200011326559 [0,1,1,0,0,0|1,0,1]=4 7381 B16R1.1228 C=CCSc1ccc(cc1)OCCCOC 62a_200011326559_100000210623 [0,1,1,0,0,0|1,0,1]=4 7382 B16R1.1228 C=CCSc1ccc(cc1)OCCNCC 62a_100000210623_100000762749 [0,1,1,0,0,0|1,0,1]=4 7383 B16R1.1228 C=CCSc1ccc(cc1)OCCNCC 62a_100000762749_100000210623 [0,1,1,0,0,0|1,0,1]=4 7384 B16R1.1228 C=CCSc1ccc(cc1)OCCOCC 62a_100000210623_200000169944 [0,1,1,0,0,0|1,0,1]=4 7385 B16R1.1228 C=CCSc1ccc(cc1)OCCOCC 62a_200000169944_100000210623 [0,1,1,0,0,0|1,0,1]=4 7386 B16R1.1228 CCCCCSc1ccc(cc1)/C=C/C=O 62a_100000210326_100016291818 [0,1,1,0,0,0|1,1,0]=4 7387 B16R1.1228 CCCCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210326 [0,1,1,0,0,0|1,1,0]=4 7388 B16R1.1228 CCOCCSc1ccc(cc1)/C=C/C=O 62a_100000210147_100016291818 [0,1,1,0,0,0|1,1,0]=4 7389 B16R1.1228 CCOCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100011215890 [0,1,1,0,0,0|1,1,0]=4 7390 B16R1.1228 CCSCCSc1ccc(cc1)/C=C/C=O 62a_100000757381_100016291818 [0,1,1,0,0,0|1,1,0]=4 7391 B16R1.1228 CCSCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000757381 [0,1,1,0,0,0|1,1,0]=4 7392 B16R1.1228 COCCCSc1ccc(cc1)/C=C/C=O 62a_100000709357_100016291818 [0,1,1,0,0,0|1,1,0]=4 7393 B16R1.1228 COCCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000709357 [0,1,1,0,0,0|1,1,0]=4 7394 B16R1.1228 O=C/C=C/c1ccc(cc1)SCCCCF 62a_100000729493_100016291818 [0,1,1,0,0,0|1,1,0]=4 7395 B16R1.1228 O=C/C=C/c1ccc(cc1)SCCCCF 62a_100016291818_100000729493 [0,1,1,0,0,0|1,1,0]=4 7396 B16R1.1228 O=C/C=C/c1ccc(cc1)SCCCCO 62a_100000210776_100016291818 [0,1,1,0,0,0|1,1,0]=4 7397 B16R1.1228 O=C/C=C/c1ccc(cc1)SCCCCO 62a_100016291818_100000210776 [0,1,1,0,0,0|1,1,0]=4 7398 B16R1.1435 C=CCNc1ccc(cc1C)OCCCC 2230a_100000743721_100000210623 [0,1,1,0,0,0|1,0,1]=4 7399 B16R1.1435 C=CCNc1ccc(cc1C)OCCCC 34a_100000743721_100015514636 [0,1,1,0,0,0|1,0,1]=4 7400 B16R1.1435 C=CCNc1ccc(cc1C)OCCCC 7a_100000743721_100015514636 [0,1,1,0,0,0|1,0,1]=4 7401 B16R1.1435 C=CCSc1ccc(cc1C)OCCCC 62a_100000210623_200012350294 [0,1,1,0,0,0|1,0,1]=4 7402 B16R1.1435 C=CCSc1ccc(cc1C)OCCCC 62a_200012350294_100000210623 [0,1,1,0,0,0|1,0,1]=4 7403 B16R1.1435 C=CCSc1ccc(cc1F)OCCCC 62a_100000210623_200012236941 [0,1,1,0,0,0|1,0,1]=4 7404 B16R1.1435 C=CCSc1ccc(cc1F)OCCCC 62a_200012236941_100000210623 [0,1,1,0,0,0|1,0,1]=4 7405 B16R1.5197 CCCC(C)Sc1ccc(cc1)/C=C/C=O 62a_100000766640_100016291818 [0,1,1,0,0,0|1,1,0]=4 7406 B16R1.5197 CCCC(C)Sc1ccc(cc1)/C=C/C=O 62a_100016291818_100000766640 [0,1,1,0,0,0|1,1,0]=4 7407 B16R1.1401 C=Cc1cc(ccc1SCOCCCC)F 62a_100011995733_100012356183 [0,1,1,0,0,0|1,0,1]=4 7408 B16R1.1401 C=Cc1cc(ccc1SCOCCCC)F 62a_100012356183_100011995733 [0,1,1,0,0,0|1,0,1]=4 7409 B16R1.1401 CCCCCC=Cc1ccc(cc1C=O)Br 271570a_100000062253_100010185651 [0,1,1,0,0,0|2,0,0]=4 7410 B16R1.1401 CCCCCC=Cc1ccc(cc1C=O)C 271570a_100000062253_100011551863 [0,1,1,0,0,0|2,0,0]=4 7411 B16R1.1401 CCCCCC=Cc1ccc(cc1C=O)Cl 271570a_100000062253_100010254386 [0,1,1,0,0,0|2,0,0]=4 7412 B16R1.1401 CCCCCC=Cc1ccc(cc1C=O)F 271570a_100000062253_100011218309 [0,1,1,0,0,0|2,0,0]=4 7413 B16R1.1401 CCCCCC=Cc1ccc(cc1C=O)O 271570a_100000062253_100000690577 [0,1,1,0,0,0|2,0,0]=4 7414 B16R1.3887 C=Cc1ccc(cc1SCOCCCC)F 62a_100011995733_100012354420 [0,1,1,0,0,0|1,0,1]=4 7415 B16R1.3887 C=Cc1ccc(cc1SCOCCCC)F 62a_100012354420_100011995733 [0,1,1,0,0,0|1,0,1]=4 7416 B16R1.3887 CCCCCC=Cc1cc(ccc1C=O)Br 271570a_100000062253_100010146562 [0,1,1,0,0,0|2,0,0]=4 7417 B16R1.3887 CCCCCC=Cc1cc(ccc1C=O)C 271570a_100000062253_100000692596 [0,1,1,0,0,0|2,0,0]=4 7418 B16R1.3887 CCCCCC=Cc1cc(ccc1C=O)F 271570a_100000062253_100000752949 [0,1,1,0,0,0|2,0,0]=4 7419 B16R1.3887 CCCCCC=Cc1cc(ccc1C=O)O 271570a_100000062253_100011236494 [0,1,1,0,0,0|2,0,0]=4 7420 B16R1.3900 C=C(C)c1ccccc1NCOCCCC 34a_100000037685_100011995733 [0,1,1,0,0,0|1,0,1]=4 7421 B16R1.3900 CCCCCC=Cc1ccccc1C(=O)C 271570a_100000062253_100000751169 [0,1,1,0,0,0|1,0,1]=4 7422 B16R1.3900 CCCCCC=Cc1ccccc1C(=O)N 271570a_100000062253_100000162227 [0,1,1,0,0,0|2,0,0]=4 7423 B16R1.3910 C=Cc1ccccc1C=NNCC(O)CC 4a_100015206393_200011996377 [0,1,1,0,0,0|2,0,0]=4 7424 B16R1.4614 C=Cc1ccccc1C(=O)CCCCCC 1458a_100011830265_100000210757 [0,1,1,0,0,0|1,0,1]=4 7425 B16R1.4614 C=Cc1ccccc1C(=O)COCCCC 1458a_100011830265_100011995733 [0,1,1,0,0,0|0,0,1]=3 7426 B16R1.4614 C=Cc1ccccc1C(=O)NCCCCC 1626a_100000209983_100011830265 [0,1,1,0,0,0|2,0,0]=4 7427 B16R1.4614 C=Cc1ccccc1C(=O)NCCCCC 271570a_100011290941_200000152840 [0,1,1,0,0,0|2,0,0]=4 7428 B16R1.4614 C=Cc1ccccc1C(=O)NNCCCC 22a_100025702795_100011830265 [0,1,1,0,0,0|2,0,0]=4 7429 B16R1.7391 C=Cc1ccccc1NC(=O)CCCCC 11a_100012022501_100000212188 [0,1,1,0,0,0|2,0,0]=4 7430 B16R1.7391 C=Cc1ccccc1NC(=O)CCCCC 1626a_100012022501_100000212188 [0,1,1,0,0,0|2,0,0]=4 7431 B16R1.7391 C=Cc1ccccc1NC(=O)CCCCC 22a_100012022501_100000212188 [0,1,1,0,0,0|2,0,0]=4 7432 B16R1.7391 C=Cc1ccccc1NC(=O)NCCCC 2430a_100012022501_100000102301 [0,1,1,0,0,0|2,0,0]=4 7433 B16R1.17440 CCCCCC=Cc1c(cccc1C=O)F 271570a_100000062253_100011998484 [0,1,1,0,0,0|2,0,0]=4 7434 B16R1.17440 CCCCCC=Cc1c(cccc1C=O)O 271570a_100000062253_100009816417 [0,1,1,0,0,0|2,0,0]=4 7435 B16R1.17792 CCCCCC=Cc1cccc(c1C=O)C 271570a_100000062253_100000041122 [0,1,1,0,0,0|2,0,0]=4 7436 B16R1.17792 CCCCCC=Cc1cccc(c1C=O)Cl 271570a_100000062253_100010147682 [0,1,1,0,0,0|2,0,0]=4 7437 B16R1.17792 CCCCCC=Cc1cccc(c1C=O)F 271570a_100000062253_100000210083 [0,1,1,0,0,0|2,0,0]=4 7438 B16R1.17792 CCCCCC=Cc1cccc(c1C=O)N 271570a_100000062253_100010232536 [0,1,1,0,0,0|2,0,0]=4 7439 B16R1.17792 CCCCCC=Cc1cccc(c1C=O)O 271570a_100000062253_100009814793 [0,1,1,0,0,0|2,0,0]=4 7440 B16R1.20288 C/C=C/c1ccccc1OCOCCCC 34a_200000189419_100011995733 [0,1,1,0,0,0|1,0,1]=4 7441 B16R1.20288 C=CCc1ccccc1C=NNCCCC 4a_100025702795_100010619294 [0,1,1,0,0,0|2,0,0]=4 7442 B16R1.20288 C=CCc1ccccc1NCOCCCC 2230a_200138433279_100011995733 [0,1,1,0,0,0|1,0,1]=4 7443 B16R1.20288 C=CCc1ccccc1NCOCCCC 34a_200138433279_100011995733 [0,1,1,0,0,0|1,0,1]=4 7444 B16R1.20288 C=CCc1ccccc1OCOCCCC 34a_100000211836_100011995733 [0,1,1,0,0,0|1,0,1]=4 7445 B16R1.20288 C=CCc1ccccc1SCOCCCC 62a_100009828059_100011995733 [0,1,1,0,0,0|1,0,1]=4 7446 B16R1.20288 C=CCc1ccccc1SCOCCCC 62a_100011995733_100009828059 [0,1,1,0,0,0|1,0,1]=4 7447 B16R1.1234 C=CCNc1cccc(c1)OCCC(C)C 34a_100000745618_100015514636 [0,1,1,0,0,0|1,0,1]=4 7448 B16R1.1234 C=CCNc1cccc(c1)OCCC(C)C 7a_100000745618_100015514636 [0,1,1,0,0,0|1,0,1]=4 7449 B16R1.1408 C=C(C)CNc1cccc(c1)OCCCC 2230a_100000744072_100000748629 [0,1,1,0,0,0|1,0,1]=4 7450 B16R1.1408 C=C(C)CNc1cccc(c1)OCCCC 34a_100000744072_100000748629 [0,1,1,0,0,0|1,0,1]=4 7451 B16R1.1408 C=C(C)CNc1cccc(c1)OCCCC 7a_100000744072_100000748629 [0,1,1,0,0,0|1,0,1]=4 7452 B16R1.1408 C=C(C)COc1cccc(c1)OCCCC 34a_100011216386_100000748629 [0,1,1,0,0,0|1,0,1]=4 7453 B16R1.1408 C=C(C)COc1cccc(c1)OCCCC 7a_100011216386_100000748629 [0,1,1,0,0,0|1,0,1]=4 7454 B16R1.1408 C=C(C)CSc1cccc(c1)OCCCC 62a_100000748629_200011212284 [0,1,1,0,0,0|1,0,1]=4 7455 B16R1.1408 C=C(F)CNc1cccc(c1)OCCCC 2230a_100000744072_100009893438 [0,1,1,0,0,0|1,0,1]=4 7456 B16R1.1408 C=C(F)CNc1cccc(c1)OCCCC 34a_100000744072_100009893438 [0,1,1,0,0,0|1,0,1]=4 7457 B16R1.1408 C=C(F)CNc1cccc(c1)OCCCC 7a_100000744072_100000042424 [0,1,1,0,0,0|1,0,1]=4 7458 B16R1.1408 C=C(F)COc1cccc(c1)OCCCC 34a_100011216386_100009893438 [0,1,1,0,0,0|1,0,1]=4 7459 B16R1.1408 C=C(F)COc1cccc(c1)OCCCC 7a_100011216386_100000042424 [0,1,1,0,0,0|1,0,1]=4 7460 B16R1.1408 C=C(F)CSc1cccc(c1)OCCCC 62a_100000042424_200011212284 [0,1,1,0,0,0|1,0,1]=4 7461 B16R1.1408 CCCCOc1cccc(c1)C=CC(C)C 271570a_100016257149_200011212284 [0,1,1,0,0,0|0,0,2]=4 7462 B16R1.1408 CCCCOc1cccc(c1)C=CC(C)O 271570a_200011019289_200011212284 [0,1,1,0,0,0|0,0,2]=4 7463 B16R1.1408 CCCCSc1cccc(c1)/C=C/C(=O)C 62a_100000210211_200016266566 [0,1,1,0,0,0|0,1,1]=4 7464 B16R1.1408 CCCCSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_100000210210 [0,1,1,0,0,0|0,1,1]=4 7465 B16R1.1409 C/C=C/CNc1cccc(c1)OCCCC 34a_100000744072_100102629194 [0,1,1,0,0,0|0,0,2]=4 7466 B16R1.1409 C/C=C/CNc1cccc(c1)OCCCC 7a_100000744072_100102629194 [0,1,1,0,0,0|0,0,2]=4 7467 B16R1.1409 C/C=C/COc1cccc(c1)OCCCC 34a_100011216386_100102629194 [0,1,1,0,0,0|0,0,2]=4 7468 B16R1.1409 C/C=C/COc1cccc(c1)OCCCC 7a_100011216386_100102629194 [0,1,1,0,0,0|0,0,2]=4 7469 B16R1.1409 C/C=C/CSc1cccc(c1)OCCCC 62a_100102629194_200011212284 [0,1,1,0,0,0|0,0,2]=4 7470 B16R1.1409 C=CCCNc1cccc(c1)OCCCC 2230a_100000744072_100000754431 [0,1,1,0,0,0|0,0,2]=4 7471 B16R1.1409 C=CCCNc1cccc(c1)OCCCC 34a_100000744072_100000754431 [0,1,1,0,0,0|0,0,2]=4 7472 B16R1.1409 C=CCCNc1cccc(c1)OCCCC 7a_100000744072_100000754431 [0,1,1,0,0,0|0,0,2]=4 7473 B16R1.1409 C=CCCOc1cccc(c1)OCCCC 34a_100011216386_100000754431 [0,1,1,0,0,0|0,0,2]=4 7474 B16R1.1409 C=CCCOc1cccc(c1)OCCCC 7a_100011216386_100000754431 [0,1,1,0,0,0|0,0,2]=4 7475 B16R1.1409 C=CCCSc1cccc(c1)OCCCC 62a_100000754431_200011212284 [0,1,1,0,0,0|0,0,2]=4 7476 B16R1.1409 C=CCNCc1cccc(c1)OCCCC 270004a_100020586998_200000188525 [0,1,1,0,0,0|0,0,2]=4 7477 B16R1.1409 CC=CCNc1cccc(c1)OCCCC 2230a_100000744072_100000070051 [0,1,1,0,0,0|0,0,2]=4 7478 B16R1.1409 CC=CCNc1cccc(c1)OCCCC 34a_100000744072_100000070051 [0,1,1,0,0,0|0,0,2]=4 7479 B16R1.1409 CC=CCNc1cccc(c1)OCCCC 7a_100000744072_100000070051 [0,1,1,0,0,0|0,0,2]=4 7480 B16R1.1409 CC=CCOc1cccc(c1)OCCCC 34a_100011216386_100000070051 [0,1,1,0,0,0|0,0,2]=4 7481 B16R1.1409 CC=CCOc1cccc(c1)OCCCC 7a_100011216386_100000070051 [0,1,1,0,0,0|0,0,2]=4 7482 B16R1.1409 CC=CCSc1cccc(c1)OCCCC 62a_100000070051_200011212284 [0,1,1,0,0,0|0,0,2]=4 7483 B16R1.1409 CCCC=Cc1cccc(c1)OCCCC 271570a_100016258520_200011212284 [0,1,1,0,0,0|0,0,2]=4 7484 B16R1.1409 CCCCOc1cccc(c1)C=CCOC 271570a_100016286323_200011212284 [0,1,1,0,0,0|0,0,2]=4 7485 B16R1.1409 CCCCOc1cccc(c1)C=COCC 271570a_100016256518_200011212284 [0,1,1,0,0,0|0,0,2]=4 7486 B16R1.1411 C=CC(=O)Nc1cccc(c1)NCCCC 34a_100012282147_100000210210 [0,1,1,0,0,0|2,0,0]=4 7487 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCCC 1626a_100000744072_100000185746 [0,1,1,0,0,0|1,0,0]=3 7488 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCCC 22a_100000744072_100000185746 [0,1,1,0,0,0|1,0,0]=3 7489 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCCC 34a_100011235909_100000210210 [0,1,1,0,0,0|1,0,0]=3 7490 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCCC 7a_100011235909_100000210211 [0,1,1,0,0,0|1,0,0]=3 7491 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCCF 34a_100011235909_100011934791 [0,1,1,0,0,0|2,0,0]=4 7492 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCCF 7a_100011235909_100011934791 [0,1,1,0,0,0|2,0,0]=4 7493 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCCO 34a_100011235909_100000230001 [0,1,1,0,0,0|2,0,0]=4 7494 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCCO 7a_100011235909_100011215043 [0,1,1,0,0,0|2,0,0]=4 7495 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCOC 1626a_100000742008_100000185746 [0,1,1,0,0,0|2,0,0]=4 7496 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCOC 22a_100000742008_100000185746 [0,1,1,0,0,0|2,0,0]=4 7497 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCOC 34a_100011235909_100011201679 [0,1,1,0,0,0|2,0,0]=4 7498 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCOC 7a_100011235909_100000233755 [0,1,1,0,0,0|2,0,0]=4 7499 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCSC 34a_100011235909_100000212216 [0,1,1,0,0,0|2,0,0]=4 7500 B16R1.1411 C=CC(=O)Nc1cccc(c1)OCCSC 7a_100011235909_100000212216 [0,1,1,0,0,0|2,0,0]=4 7501 B16R1.1411 C=CC(C)Sc1cccc(c1)OCCCC 62a_100011215867_200011212284 [0,1,1,0,0,0|1,0,1]=4 7502 B16R1.1412 C=CCC(=O)c1cccc(c1)OCCCC 1458a_100000216332_100000210623 [0,1,1,0,0,0|0,0,1]=3 7503 B16R1.1412 C=CCC(=O)c1cccc(c1)OCCOC 1458a_100000244674_100000210623 [0,1,1,0,0,0|1,0,1]=4 7504 B16R1.1412 C=CCC(=O)c1cccc(c1)SCCCC 1458a_100012017737_100000210623 [0,1,1,0,0,0|0,1,1]=4 7505 B16R1.1433 CCCCOc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_200012350294 [0,1,1,0,0,0|0,0,2]=4 7506 B16R1.1433 CCCCOc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_200012236941 [0,1,1,0,0,0|1,0,1]=4 7507 B16R1.29988 C=C=Cc1ccc(c(c1F)F)OCCCC 271570a_100015277604_100010177746 [0,1,1,0,0,0|1,0,1]=4 7508 B16R1.29988 CC=Cc1ccc(c(c1F)F)OCCCC 271570a_100016259895_100010177746 [0,1,1,0,0,0|1,0,1]=4 7509 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 34a_100000211940_100000748629 [1,1,0,0,0,0|1,0,1]=4 7510 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 7a_100000211940_100000748629 [1,1,0,0,0,0|1,0,1]=4 7511 B16R2.477 C=C(C)COc1ccc2ccccc2c1 34a_100000185828_100000748629 [1,1,0,0,0,0|0,0,1]=3 7512 B16R2.477 C=C(C)COc1ccc2ccccc2c1 7a_100000185828_100000748629 [1,1,0,0,0,0|0,0,1]=3 7513 B16R2.477 C=C(C)COc1ccc2cccnc2c1 34a_100011216045_100000748629 [1,1,0,0,0,0|1,0,1]=4 7514 B16R2.477 C=C(C)COc1ccc2ccncc2c1 7a_100000752006_100000748629 [1,1,0,0,0,0|1,0,1]=4 7515 B16R2.477 C=C(C)COc1ccc2cnccc2c1 34a_100000046372_100000748629 [1,1,0,0,0,0|1,0,1]=4 7516 B16R2.477 C=C(C)COc1ccc2cnccc2c1 7a_100000046372_100000748629 [1,1,0,0,0,0|1,0,1]=4 7517 B16R2.477 C=C(C)COc1ccc2ncccc2c1 34a_100011215586_100000748629 [1,1,0,0,0,0|1,0,1]=4 7518 B16R2.477 C=C(C)COc1ccc2ncccc2c1 7a_100011215586_100000748629 [1,1,0,0,0,0|1,0,1]=4 7519 B16R2.477 C=C(C)COc1cnc2ccccc2c1 34a_100011934006_100000748629 [1,1,0,0,0,0|1,0,1]=4 7520 B16R2.477 C=C(C)COc1cnc2ccccc2c1 7a_100011934006_100000748629 [1,1,0,0,0,0|1,0,1]=4 7521 B16R2.477 C=C(C)CSc1ccc2ccccc2c1 62a_100000748629_100000233703 [1,1,0,0,0,0|0,1,1]=4 7522 B16R2.477 C=C(F)COc1ccc2ccccc2c1 34a_100000185828_100009893438 [1,1,0,0,0,0|0,0,2]=4 7523 B16R2.477 C=C(F)COc1ccc2ccccc2c1 7a_100000185828_100000042424 [1,1,0,0,0,0|0,0,2]=4 7524 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200000210301 [1,1,0,0,0,0|0,0,1]=3 7525 B16R2.477 CC(=O)COc1ccc2ccccc2c1 1458a_100000185456_200000210301 [1,1,0,0,0,0|0,0,1]=3 7526 B16R2.477 CC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200000210301 [1,1,0,0,0,0|0,1,1]=4 7527 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 11a_100000739491_100015343762 [1,1,0,0,0,0|1,0,1]=4 7528 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100015343762 [1,1,0,0,0,0|1,0,1]=4 7529 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100015343762 [1,1,0,0,0,0|1,0,1]=4 7530 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 527a_100000739491_100103153847 [1,1,0,0,0,0|1,0,1]=4 7531 B16R2.477 CC(C)C=Cc1ccc2ccccc2c1 271570a_100016257149_100000233703 [1,1,0,0,0,0|0,0,2]=4 7532 B16R2.477 CC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000210624 [1,1,0,0,0,0|1,0,0]=3 7533 B16R2.477 CC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000210760 [1,1,0,0,0,0|1,0,0]=3 7534 B16R2.477 CC(C)CNc1ccc2ccccc2n1 27a_100000210953_100011291633 [1,1,0,0,0,0|2,0,0]=4 7535 B16R2.477 CC(C)CNc1ccc2cccnc2c1 34a_100102887122_100000210624 [1,1,0,0,0,0|2,0,0]=4 7536 B16R2.477 CC(C)CNc1ccc2cnccc2c1 34a_100000039641_100000210624 [1,1,0,0,0,0|2,0,0]=4 7537 B16R2.477 CC(C)CNc1ccc2ncccc2c1 34a_100011198106_100000210624 [1,1,0,0,0,0|2,0,0]=4 7538 B16R2.477 CC(C)COc1ccc2ccccc2c1 34a_100000185828_100000210624 [1,1,0,0,0,0|0,0,0]=2 7539 B16R2.477 CC(C)COc1ccc2ccccc2c1 7a_100000185828_100000210760 [1,1,0,0,0,0|0,0,0]=2 7540 B16R2.477 CC(C)COc1ccc2cccnc2c1 34a_100011216045_100000210624 [1,1,0,0,0,0|1,0,0]=3 7541 B16R2.477 CC(C)COc1ccc2ccncc2c1 7a_100000752006_100000210760 [1,1,0,0,0,0|1,0,0]=3 7542 B16R2.477 CC(C)COc1ccc2cnccc2c1 34a_100000046372_100000210624 [1,1,0,0,0,0|1,0,0]=3 7543 B16R2.477 CC(C)COc1ccc2cnccc2c1 7a_100000046372_100000210760 [1,1,0,0,0,0|1,0,0]=3 7544 B16R2.477 CC(C)COc1ccc2ncccc2c1 34a_100011215586_100000210624 [1,1,0,0,0,0|1,0,0]=3 7545 B16R2.477 CC(C)COc1ccc2ncccc2c1 7a_100011215586_100000210760 [1,1,0,0,0,0|1,0,0]=3 7546 B16R2.477 CC(C)COc1ccc2nccnc2c1 34a_100000694412_100000210624 [1,1,0,0,0,0|2,0,0]=4 7547 B16R2.477 CC(C)COc1cnc2ccccc2c1 34a_100011934006_100000210624 [1,1,0,0,0,0|1,0,0]=3 7548 B16R2.477 CC(C)COc1cnc2ccccc2c1 7a_100011934006_100000210760 [1,1,0,0,0,0|1,0,0]=3 7549 B16R2.477 CC(C)CSc1cc2ccccc2cn1 62a_100000210624_100000047361 [1,1,0,0,0,0|1,1,0]=4 7550 B16R2.477 CC(C)CSc1cc2ccccc2cn1 62a_100009816522_100000210760 [1,1,0,0,0,0|1,1,0]=4 7551 B16R2.477 CC(C)CSc1ccc2ccccc2c1 62a_100000210624_100000233703 [1,1,0,0,0,0|0,1,0]=3 7552 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100000210624_100011291633 [1,1,0,0,0,0|1,1,0]=4 7553 B16R2.477 CC(C)CSc1ccc2ccccc2n1 62a_100011291633_100000210760 [1,1,0,0,0,0|1,1,0]=4 7554 B16R2.477 CC(C)CSc1ccc2cccnc2c1 62a_100000210624_100009816655 [1,1,0,0,0,0|1,1,0]=4 7555 B16R2.477 CC(C)CSc1ccc2ccncc2c1 62a_100000210624_100000686496 [1,1,0,0,0,0|1,1,0]=4 7556 B16R2.477 CC(C)CSc1ccc2ccncc2c1 62a_100000686496_100000210760 [1,1,0,0,0,0|1,1,0]=4 7557 B16R2.477 CC(C)CSc1ccc2cnccc2c1 62a_100000210624_100009816743 [1,1,0,0,0,0|1,1,0]=4 7558 B16R2.477 CC(C)CSc1ccc2cnccc2c1 62a_100009816743_100000210760 [1,1,0,0,0,0|1,1,0]=4 7559 B16R2.477 CC(C)CSc1ccc2ncccc2c1 62a_100000210624_100011215947 [1,1,0,0,0,0|1,1,0]=4 7560 B16R2.477 CC(C)CSc1ccc2ncccc2c1 62a_100011215947_100000210760 [1,1,0,0,0,0|1,1,0]=4 7561 B16R2.477 CC(C)CSc1cnc2ccccc2c1 62a_100000210624_100000737414 [1,1,0,0,0,0|1,1,0]=4 7562 B16R2.477 CC(C)NCc1cc2ccccc2cn1 207a_100138425928_100000059776 [1,1,0,0,0,0|2,0,0]=4 7563 B16R2.477 CC(C)NCc1cc2ccccc2cn1 2230a_100138425928_100009869231 [1,1,0,0,0,0|2,0,0]=4 7564 B16R2.477 CC(C)NCc1cc2ccccc2cn1 34a_100138425928_100009869231 [1,1,0,0,0,0|2,0,0]=4 7565 B16R2.477 CC(C)NCc1ccc2ccccc2c1 207a_100138425928_100000211584 [1,1,0,0,0,0|1,0,0]=3 7566 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000210206 [1,1,0,0,0,0|1,0,0]=3 7567 B16R2.477 CC(C)NCc1ccc2ccccc2c1 2230a_100138425928_100011216711 [1,1,0,0,0,0|1,0,0]=3 7568 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000210206 [1,1,0,0,0,0|1,0,0]=3 7569 B16R2.477 CC(C)NCc1ccc2ccccc2c1 34a_100138425928_100011216711 [1,1,0,0,0,0|1,0,0]=3 7570 B16R2.477 CC(C)NCc1ccc2ccccc2n1 207a_100138425928_100000759686 [1,1,0,0,0,0|2,0,0]=4 7571 B16R2.477 CC(C)NCc1ccc2ccccc2n1 2230a_100138425928_100000737579 [1,1,0,0,0,0|2,0,0]=4 7572 B16R2.477 CC(C)NCc1ccc2ccccc2n1 34a_100138425928_100000737579 [1,1,0,0,0,0|2,0,0]=4 7573 B16R2.477 CC(C)NCc1ccc2cccnc2c1 207a_100138425928_100011784159 [1,1,0,0,0,0|2,0,0]=4 7574 B16R2.477 CC(C)NCc1ccc2cnccc2c1 207a_100138425928_100000068276 [1,1,0,0,0,0|2,0,0]=4 7575 B16R2.477 CC(C)NCc1ccc2cnccc2c1 2230a_100138425928_100020605334 [1,1,0,0,0,0|2,0,0]=4 7576 B16R2.477 CC(C)NCc1ccc2cnccc2c1 34a_100138425928_100020605334 [1,1,0,0,0,0|2,0,0]=4 7577 B16R2.477 CC(C)NCc1ccc2ncccc2c1 207a_100138425928_100000211315 [1,1,0,0,0,0|2,0,0]=4 7578 B16R2.477 CC(C)NCc1ccc2ncccc2c1 2230a_100138425928_100000703657 [1,1,0,0,0,0|2,0,0]=4 7579 B16R2.477 CC(C)NCc1ccc2ncccc2c1 34a_100000238500_100000210206 [1,1,0,0,0,0|2,0,0]=4 7580 B16R2.477 CC(C)NCc1ccc2ncccc2c1 34a_100138425928_100000703657 [1,1,0,0,0,0|2,0,0]=4 7581 B16R2.477 CC(C)NCc1cnc2ccccc2c1 207a_100138425928_100000750898 [1,1,0,0,0,0|2,0,0]=4 7582 B16R2.477 CC(C)NCc1cnc2ccccc2c1 34a_100000742225_100000210206 [1,1,0,0,0,0|2,0,0]=4 7583 B16R2.477 CC(C)OCc1cc2ccccc2cn1 34a_100000212225_100009869231 [1,1,0,0,0,0|2,0,0]=4 7584 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100000212225_100011216711 [1,1,0,0,0,0|1,0,0]=3 7585 B16R2.477 CC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000210206 [1,1,0,0,0,0|1,0,0]=3 7586 B16R2.477 CC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000210206 [1,1,0,0,0,0|1,0,0]=3 7587 B16R2.477 CC(C)OCc1ccc2ccccc2n1 34a_100000212225_100000737579 [1,1,0,0,0,0|2,0,0]=4 7588 B16R2.477 CC(C)OCc1ccc2cnccc2c1 34a_100000212225_100020605334 [1,1,0,0,0,0|2,0,0]=4 7589 B16R2.477 CC(C)OCc1ccc2ncccc2c1 34a_100000212225_100000703657 [1,1,0,0,0,0|2,0,0]=4 7590 B16R2.477 CC(C)OCc1ccc2ncccc2c1 34a_100011315636_100000210206 [1,1,0,0,0,0|2,0,0]=4 7591 B16R2.477 CC(C)OCc1cnc2ccccc2c1 34a_100011258773_100000210206 [1,1,0,0,0,0|2,0,0]=4 7592 B16R2.477 CC(C)SCc1cc2ccccc2cn1 62a_100000210206_100009869231 [1,1,0,0,0,0|2,0,0]=4 7593 B16R2.477 CC(C)SCc1cc2ccccc2cn1 62a_100009869231_100000210206 [1,1,0,0,0,0|2,0,0]=4 7594 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100000210206_100011216711 [1,1,0,0,0,0|1,0,0]=3 7595 B16R2.477 CC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000210206 [1,1,0,0,0,0|1,0,0]=3 7596 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000210206_100000737579 [1,1,0,0,0,0|2,0,0]=4 7597 B16R2.477 CC(C)SCc1ccc2ccccc2n1 62a_100000737579_100000210206 [1,1,0,0,0,0|2,0,0]=4 7598 B16R2.477 CC(C)SCc1ccc2cnccc2c1 62a_100000210206_100020605334 [1,1,0,0,0,0|2,0,0]=4 7599 B16R2.477 CC(C)SCc1ccc2cnccc2c1 62a_100020605334_100000210206 [1,1,0,0,0,0|2,0,0]=4 7600 B16R2.477 CC(C)SCc1ccc2ncccc2c1 62a_100000210206_100000703657 [1,1,0,0,0,0|2,0,0]=4 7601 B16R2.477 CC(C)SCc1ccc2ncccc2c1 62a_100000703657_100000210206 [1,1,0,0,0,0|2,0,0]=4 7602 B16R2.477 CC(O)C=Cc1ccc2ccccc2c1 271570a_200011019289_100000233703 [1,1,0,0,0,0|0,0,2]=4 7603 B16R2.477 CC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011218427 [1,1,0,0,0,0|1,0,0]=3 7604 B16R2.477 CC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011218427 [1,1,0,0,0,0|1,0,0]=3 7605 B16R2.477 CC(O)CNc1ccc2ccccc2n1 27a_100000210904_100011291633 [1,1,0,0,0,0|2,0,0]=4 7606 B16R2.477 CC(O)CNc1ccc2cccnc2c1 34a_100102887122_100011218427 [1,1,0,0,0,0|2,0,0]=4 7607 B16R2.477 CC(O)CNc1ccc2cnccc2c1 34a_100000039641_100011218427 [1,1,0,0,0,0|2,0,0]=4 7608 B16R2.477 CC(O)CNc1ccc2ncccc2c1 34a_100011198106_100011218427 [1,1,0,0,0,0|2,0,0]=4 7609 B16R2.477 CC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218427 [1,1,0,0,0,0|0,0,0]=2 7610 B16R2.477 CC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218427 [1,1,0,0,0,0|0,0,0]=2 7611 B16R2.477 CC(O)COc1ccc2cccnc2c1 34a_100011216045_100011218427 [1,1,0,0,0,0|1,0,0]=3 7612 B16R2.477 CC(O)COc1ccc2ccncc2c1 7a_100000752006_100011218427 [1,1,0,0,0,0|1,0,0]=3 7613 B16R2.477 CC(O)COc1ccc2cnccc2c1 34a_100000046372_100011218427 [1,1,0,0,0,0|1,0,0]=3 7614 B16R2.477 CC(O)COc1ccc2cnccc2c1 7a_100000046372_100011218427 [1,1,0,0,0,0|1,0,0]=3 7615 B16R2.477 CC(O)COc1ccc2ncccc2c1 34a_100011215586_100011218427 [1,1,0,0,0,0|1,0,0]=3 7616 B16R2.477 CC(O)COc1ccc2ncccc2c1 7a_100011215586_100011218427 [1,1,0,0,0,0|1,0,0]=3 7617 B16R2.477 CC(O)COc1ccc2nccnc2c1 34a_100000694412_100011218427 [1,1,0,0,0,0|2,0,0]=4 7618 B16R2.477 CC(O)COc1cnc2ccccc2c1 34a_100011934006_100011218427 [1,1,0,0,0,0|1,0,0]=3 7619 B16R2.477 CC(O)COc1cnc2ccccc2c1 7a_100011934006_100011218427 [1,1,0,0,0,0|1,0,0]=3 7620 B16R2.477 CC(O)CSc1cc2ccccc2cn1 62a_100009816522_100011218427 [1,1,0,0,0,0|1,1,0]=4 7621 B16R2.477 CC(O)CSc1cc2ccccc2cn1 62a_100011218427_100000047361 [1,1,0,0,0,0|1,1,0]=4 7622 B16R2.477 CC(O)CSc1ccc2ccccc2c1 62a_100011218427_100000233703 [1,1,0,0,0,0|0,1,0]=3 7623 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011218427_100011291633 [1,1,0,0,0,0|1,1,0]=4 7624 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011218427 [1,1,0,0,0,0|1,1,0]=4 7625 B16R2.477 CC(O)CSc1ccc2cccnc2c1 62a_100011218427_100009816655 [1,1,0,0,0,0|1,1,0]=4 7626 B16R2.477 CC(O)CSc1ccc2ccncc2c1 62a_100000686496_100011218427 [1,1,0,0,0,0|1,1,0]=4 7627 B16R2.477 CC(O)CSc1ccc2ccncc2c1 62a_100011218427_100000686496 [1,1,0,0,0,0|1,1,0]=4 7628 B16R2.477 CC(O)CSc1ccc2cnccc2c1 62a_100009816743_100011218427 [1,1,0,0,0,0|1,1,0]=4 7629 B16R2.477 CC(O)CSc1ccc2cnccc2c1 62a_100011218427_100009816743 [1,1,0,0,0,0|1,1,0]=4 7630 B16R2.477 CC(O)CSc1ccc2ncccc2c1 62a_100011215947_100011218427 [1,1,0,0,0,0|1,1,0]=4 7631 B16R2.477 CC(O)CSc1ccc2ncccc2c1 62a_100011218427_100011215947 [1,1,0,0,0,0|1,1,0]=4 7632 B16R2.477 CC(O)CSc1cnc2ccccc2c1 62a_100011218427_100000737414 [1,1,0,0,0,0|1,1,0]=4 7633 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 34a_100000211940_100009817552 [1,1,0,0,0,0|1,0,0]=3 7634 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100009817552 [1,1,0,0,0,0|1,0,0]=3 7635 B16R2.477 C[C@@H](O)CNc1ccc2cccnc2c1 34a_100102887122_100009817552 [1,1,0,0,0,0|2,0,0]=4 7636 B16R2.477 C[C@@H](O)CNc1ccc2cnccc2c1 34a_100000039641_100009817552 [1,1,0,0,0,0|2,0,0]=4 7637 B16R2.477 C[C@@H](O)CNc1ccc2ncccc2c1 34a_100011198106_100009817552 [1,1,0,0,0,0|2,0,0]=4 7638 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009817552 [1,1,0,0,0,0|0,0,0]=2 7639 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009817552 [1,1,0,0,0,0|0,0,0]=2 7640 B16R2.477 C[C@@H](O)COc1ccc2cccnc2c1 34a_100011216045_100009817552 [1,1,0,0,0,0|1,0,0]=3 7641 B16R2.477 C[C@@H](O)COc1ccc2ccncc2c1 7a_100000752006_100009817552 [1,1,0,0,0,0|1,0,0]=3 7642 B16R2.477 C[C@@H](O)COc1ccc2cnccc2c1 34a_100000046372_100009817552 [1,1,0,0,0,0|1,0,0]=3 7643 B16R2.477 C[C@@H](O)COc1ccc2cnccc2c1 7a_100000046372_100009817552 [1,1,0,0,0,0|1,0,0]=3 7644 B16R2.477 C[C@@H](O)COc1ccc2ncccc2c1 34a_100011215586_100009817552 [1,1,0,0,0,0|1,0,0]=3 7645 B16R2.477 C[C@@H](O)COc1ccc2ncccc2c1 7a_100011215586_100009817552 [1,1,0,0,0,0|1,0,0]=3 7646 B16R2.477 C[C@@H](O)COc1ccc2nccnc2c1 34a_100000694412_100009817552 [1,1,0,0,0,0|2,0,0]=4 7647 B16R2.477 C[C@@H](O)COc1cnc2ccccc2c1 34a_100011934006_100009817552 [1,1,0,0,0,0|1,0,0]=3 7648 B16R2.477 C[C@@H](O)COc1cnc2ccccc2c1 7a_100011934006_100009817552 [1,1,0,0,0,0|1,0,0]=3 7649 B16R2.477 C[C@@H](O)CSc1cc2ccccc2cn1 62a_100009816522_100009817552 [1,1,0,0,0,0|1,1,0]=4 7650 B16R2.477 C[C@@H](O)CSc1cc2ccccc2cn1 62a_100009817552_100000047361 [1,1,0,0,0,0|1,1,0]=4 7651 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2c1 62a_100009817552_100000233703 [1,1,0,0,0,0|0,1,0]=3 7652 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100009817552_100011291633 [1,1,0,0,0,0|1,1,0]=4 7653 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100011291633_100009817552 [1,1,0,0,0,0|1,1,0]=4 7654 B16R2.477 C[C@@H](O)CSc1ccc2cccnc2c1 62a_100009817552_100009816655 [1,1,0,0,0,0|1,1,0]=4 7655 B16R2.477 C[C@@H](O)CSc1ccc2ccncc2c1 62a_100000686496_100009817552 [1,1,0,0,0,0|1,1,0]=4 7656 B16R2.477 C[C@@H](O)CSc1ccc2ccncc2c1 62a_100009817552_100000686496 [1,1,0,0,0,0|1,1,0]=4 7657 B16R2.477 C[C@@H](O)CSc1ccc2cnccc2c1 62a_100009816743_100009817552 [1,1,0,0,0,0|1,1,0]=4 7658 B16R2.477 C[C@@H](O)CSc1ccc2cnccc2c1 62a_100009817552_100009816743 [1,1,0,0,0,0|1,1,0]=4 7659 B16R2.477 C[C@@H](O)CSc1ccc2ncccc2c1 62a_100009817552_100011215947 [1,1,0,0,0,0|1,1,0]=4 7660 B16R2.477 C[C@@H](O)CSc1ccc2ncccc2c1 62a_100011215947_100009817552 [1,1,0,0,0,0|1,1,0]=4 7661 B16R2.477 C[C@@H](O)CSc1cnc2ccccc2c1 62a_100009817552_100000737414 [1,1,0,0,0,0|1,1,0]=4 7662 B16R2.477 FC(F)CNc1ccc2ccccc2c1 34a_100000211940_100011934356 [1,1,0,0,0,0|2,0,0]=4 7663 B16R2.477 FC(F)CNc1ccc2ccccc2c1 7a_100000211940_100011934356 [1,1,0,0,0,0|2,0,0]=4 7664 B16R2.477 FC(F)COc1ccc2ccccc2c1 34a_100000185828_100011934356 [1,1,0,0,0,0|1,0,0]=3 7665 B16R2.477 FC(F)COc1ccc2ccccc2c1 7a_100000185828_100011934356 [1,1,0,0,0,0|1,0,0]=3 7666 B16R2.477 FC(F)COc1ccc2cccnc2c1 34a_100011216045_100011934356 [1,1,0,0,0,0|2,0,0]=4 7667 B16R2.477 FC(F)COc1ccc2ccncc2c1 7a_100000752006_100011934356 [1,1,0,0,0,0|2,0,0]=4 7668 B16R2.477 FC(F)COc1ccc2cnccc2c1 34a_100000046372_100011934356 [1,1,0,0,0,0|2,0,0]=4 7669 B16R2.477 FC(F)COc1ccc2cnccc2c1 7a_100000046372_100011934356 [1,1,0,0,0,0|2,0,0]=4 7670 B16R2.477 FC(F)COc1ccc2ncccc2c1 34a_100011215586_100011934356 [1,1,0,0,0,0|2,0,0]=4 7671 B16R2.477 FC(F)COc1ccc2ncccc2c1 7a_100011215586_100011934356 [1,1,0,0,0,0|2,0,0]=4 7672 B16R2.477 FC(F)COc1cnc2ccccc2c1 34a_100011934006_100011934356 [1,1,0,0,0,0|2,0,0]=4 7673 B16R2.477 FC(F)COc1cnc2ccccc2c1 7a_100011934006_100011934356 [1,1,0,0,0,0|2,0,0]=4 7674 B16R2.477 FC(F)CSc1ccc2ccccc2c1 62a_100011934356_100000233703 [1,1,0,0,0,0|1,1,0]=4 7675 B16R2.477 NC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000187820 [1,1,0,0,0,0|1,0,1]=4 7676 B16R2.477 NC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000187820 [1,1,0,0,0,0|1,0,1]=4 7677 B16R2.477 O=C([O-])COc1ccc2ccccc2c1 34a_100000185828_100020667443 [1,1,0,0,0,0|1,0,1]=4 7678 B16R2.477 O=[N+]([O-])COc1ccc2ccccc2c1 34a_100000185828_100000761209 [1,1,0,0,0,0|2,0,0]=4 7679 B16R2.477 [13CH3]C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200025704644 [1,1,0,0,0,0|0,0,1]=3 7680 B16R2.477 [13CH3]C(=O)COc1ccc2ccccc2c1 1458a_100000185456_200025704644 [1,1,0,0,0,0|0,0,1]=3 7681 B16R2.477 [13CH3]C(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200025704644 [1,1,0,0,0,0|0,1,1]=4 7682 B16R2.767 CC(OCF)c1ccc2ccccc2c1 34a_100011215343_100015361967 [1,1,0,0,0,0|2,0,0]=4 7683 B16R2.767 CC(OCF)c1ccc2ccccc2c1 7a_100011215343_100015361967 [1,1,0,0,0,0|2,0,0]=4 7684 B16R2.767 CCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210303 [1,1,0,0,0,0|0,0,1]=3 7685 B16R2.767 CCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210303 [1,1,0,0,0,0|1,0,1]=4 7686 B16R2.767 CCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210303 [1,1,0,0,0,0|1,0,1]=4 7687 B16R2.767 CCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210303 [1,1,0,0,0,0|1,0,1]=4 7688 B16R2.767 CCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210303 [1,1,0,0,0,0|1,0,1]=4 7689 B16R2.767 CCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210303 [1,1,0,0,0,0|1,0,0]=3 7690 B16R2.767 CCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210303 [1,1,0,0,0,0|1,0,0]=3 7691 B16R2.767 CCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210303 [1,1,0,0,0,0|1,0,0]=3 7692 B16R2.767 CCCN(C)c1ccc2ccccc2n1 27a_100000747261_100011291633 [1,1,0,0,0,0|2,0,0]=4 7693 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 11a_100015525214_100000210637 [1,1,0,0,0,0|1,0,1]=4 7694 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 240690a_100015525214_100000210637 [1,1,0,0,0,0|1,0,1]=4 7695 B16R2.767 CCNC(=O)c1ccc2ccccc2c1 527a_100015525214_100000210637 [1,1,0,0,0,0|1,0,1]=4 7696 B16R2.767 CCNC(C)c1cc2ccccc2cn1 269862a_100015525214_200000084103 [1,1,0,0,0,0|2,0,0]=4 7697 B16R2.767 CCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210202 [1,1,0,0,0,0|1,0,0]=3 7698 B16R2.767 CCNC(C)c1ccc2ccccc2c1 269862a_100015525214_100000210793 [1,1,0,0,0,0|1,0,0]=3 7699 B16R2.767 CCNC(C)c1ccc2ccccc2n1 269862a_100015525214_100000684817 [1,1,0,0,0,0|2,0,0]=4 7700 B16R2.767 CCNC(C)c1ccc2ncccc2c1 269862a_100015525214_100011286481 [1,1,0,0,0,0|2,0,0]=4 7701 B16R2.767 CCNC(C)c1cnc2ccccc2c1 269862a_100015525214_100011376191 [1,1,0,0,0,0|2,0,0]=4 7702 B16R2.767 CCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000210202 [1,1,0,0,0,0|1,0,0]=3 7703 B16R2.767 CCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000210202 [1,1,0,0,0,0|1,0,0]=3 7704 B16R2.767 CN(CCF)c1ccc2ccccc2c1 2230a_100000181211_100011217306 [1,1,0,0,0,0|2,0,0]=4 7705 B16R2.767 CN(CCF)c1ccc2ccccc2c1 269982a_100000181211_100011217306 [1,1,0,0,0,0|2,0,0]=4 7706 B16R2.767 CN(CCF)c1ccc2ccccc2c1 34a_100000181211_100011217306 [1,1,0,0,0,0|2,0,0]=4 7707 B16R2.767 CN(CCO)c1ccc2ccccc2c1 2230a_100000181211_100000211926 [1,1,0,0,0,0|2,0,0]=4 7708 B16R2.767 CN(CCO)c1ccc2ccccc2c1 269982a_100000181211_100000211926 [1,1,0,0,0,0|2,0,0]=4 7709 B16R2.767 CN(CCO)c1ccc2ccccc2c1 34a_100000181211_100000211926 [1,1,0,0,0,0|2,0,0]=4 7710 B16R2.767 CNCC(=O)c1ccc2ccccc2c1 2230a_106832991635_100000211431 [1,1,0,0,0,0|1,0,1]=4 7711 B16R2.767 CNCC(=O)c1ccc2ccccc2c1 7a_106832991635_100000211431 [1,1,0,0,0,0|1,0,1]=4 7712 B16R2.767 CNCC(O)c1ccc2ccccc2c1 2230a_100000754022_200000210301 [1,1,0,0,0,0|1,0,0]=3 7713 B16R2.767 CNCC(O)c1ccc2ccccc2c1 34a_100000754022_200000210301 [1,1,0,0,0,0|1,0,0]=3 7714 B16R2.767 COCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000766300 [1,1,0,0,0,0|2,0,0]=4 7715 B16R2.767 COCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000766300 [1,1,0,0,0,0|2,0,0]=4 7716 B16R2.767 CSCC(=O)c1ccc2ccccc2c1 62a_100000211431_200000210301 [1,1,0,0,0,0|1,0,1]=4 7717 B16R2.767 CSCC(=O)c1ccc2ccccc2c1 62a_200000210301_100000211431 [1,1,0,0,0,0|1,0,1]=4 7718 B16R2.767 CSCN(C)c1ccc2ccccc2c1 2230a_100000181211_100011218213 [1,1,0,0,0,0|2,0,0]=4 7719 B16R2.767 CSCN(C)c1ccc2ccccc2c1 269982a_100000181211_100011218213 [1,1,0,0,0,0|2,0,0]=4 7720 B16R2.767 CSCN(C)c1ccc2ccccc2c1 34a_100000181211_100011218213 [1,1,0,0,0,0|2,0,0]=4 7721 B16R2.767 O=C(CCF)c1ccc2ccccc2c1 1458a_100000210637_100011217306 [1,1,0,0,0,0|1,0,1]=4 7722 B16R2.767 O=C(CCO)c1ccc2ccccc2c1 1458a_100000210637_100000211926 [1,1,0,0,0,0|1,0,1]=4 7723 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 2230a_100000754022_200025704644 [1,1,0,0,0,0|1,0,0]=3 7724 B16R2.767 [13CH3]NCC(O)c1ccc2ccccc2c1 34a_100000754022_200025704644 [1,1,0,0,0,0|1,0,0]=3 7725 B16R2.767 [13CH3]SCC(=O)c1ccc2ccccc2c1 62a_100000211431_200025704644 [1,1,0,0,0,0|1,0,1]=4 7726 B16R2.767 [13CH3]SCC(=O)c1ccc2ccccc2c1 62a_200025704644_100000211431 [1,1,0,0,0,0|1,0,1]=4 7727 B16R2.1054 C#CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000184674 [1,1,0,0,0,0|0,0,2]=4 7728 B16R2.1054 C#CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000038162 [1,1,0,0,0,0|0,0,2]=4 7729 B16R2.1054 C=CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100015514636 [1,1,0,0,0,0|0,0,2]=4 7730 B16R2.1054 C=CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100015514636 [1,1,0,0,0,0|0,0,2]=4 7731 B16R2.1054 CCCCc1cc(=O)c2ccccc2[nH]1 271570a_100020621405_100000090176 [1,1,0,0,0,0|1,0,0]=3 7732 B16R2.1054 CCCCc1cc(=O)n2ccccc2n1 271570a_100020621405_100000707704 [1,1,0,0,0,0|2,0,0]=4 7733 B16R2.1054 CCCCc1cc(c2ccccc2c1)N 271570a_100020621405_100010171453 [1,1,0,0,0,0|0,0,0]=2 7734 B16R2.1054 CCCCc1cc(c2ccccc2c1)O 271570a_100020621405_100010089979 [1,1,0,0,0,0|0,0,0]=2 7735 B16R2.1054 CCCCc1cc(c2ccccc2n1)C 271570a_100020621405_100012354972 [1,1,0,0,0,0|1,0,0]=3 7736 B16R2.1054 CCCCc1cc(c2ccccc2n1)N 271570a_100020621405_100010197925 [1,1,0,0,0,0|1,0,0]=3 7737 B16R2.1054 CCCCc1cc(c2cccnc2c1)N 271570a_100020621405_200010263263 [1,1,0,0,0,0|1,0,0]=3 7738 B16R2.1054 CCCCc1cc(c2cnccc2c1)F 271570a_100020621405_100011068762 [1,1,0,0,0,0|1,0,0]=3 7739 B16R2.1054 CCCCc1cc(c2ncccc2c1)C 271570a_100020621405_100010130319 [1,1,0,0,0,0|1,0,0]=3 7740 B16R2.1054 CCCCc1cc(c2ncccc2c1)Cl 271570a_100020621405_200010369337 [1,1,0,0,0,0|1,0,0]=3 7741 B16R2.1054 CCCCc1cc(c2ncccc2c1)F 271570a_100020621405_100010234705 [1,1,0,0,0,0|1,0,0]=3 7742 B16R2.1054 CCCCc1cc(c2ncccc2c1)N 271570a_100020621405_100009814519 [1,1,0,0,0,0|1,0,0]=3 7743 B16R2.1054 CCCCc1cc(c2ncccc2c1)O 271570a_100020621405_100010248853 [1,1,0,0,0,0|1,0,0]=3 7744 B16R2.1054 CCCCc1cc(c2nccnc2c1)C 271570a_100020621405_100010080486 [1,1,0,0,0,0|2,0,0]=4 7745 B16R2.1054 CCCCc1cc(c2nccnc2c1)F 271570a_100020621405_100010079260 [1,1,0,0,0,0|2,0,0]=4 7746 B16R2.1054 CCCCc1cc2ccccc2[n+](c1)[O-] 271570a_100020621405_200010000521 [1,1,0,0,0,0|1,0,0]=3 7747 B16R2.1054 CCCCc1cc2ccccc2c(n1)N 271570a_100020621405_100009957331 [1,1,0,0,0,0|1,0,0]=3 7748 B16R2.1054 CCCCc1nc(c2ccccc2n1)C 271570a_100020621405_100000046098 [1,1,0,0,0,0|2,0,0]=4 7749 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210303 [1,1,0,0,0,0|1,0,0]=3 7750 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210303 [1,1,0,0,0,0|1,0,0]=3 7751 B16R2.1054 CCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210303 [1,1,0,0,0,0|2,0,0]=4 7752 B16R2.1054 CCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210303 [1,1,0,0,0,0|2,0,0]=4 7753 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210303 [1,1,0,0,0,0|0,0,0]=2 7754 B16R2.1054 CCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210303 [1,1,0,0,0,0|0,0,0]=2 7755 B16R2.1054 CCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210303 [1,1,0,0,0,0|1,0,0]=3 7756 B16R2.1054 CCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210303 [1,1,0,0,0,0|1,0,0]=3 7757 B16R2.1054 CCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210303 [1,1,0,0,0,0|1,0,0]=3 7758 B16R2.1054 CCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210303 [1,1,0,0,0,0|1,0,0]=3 7759 B16R2.1054 CCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210303 [1,1,0,0,0,0|1,0,0]=3 7760 B16R2.1054 CCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210303 [1,1,0,0,0,0|1,0,0]=3 7761 B16R2.1054 CCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210303 [1,1,0,0,0,0|1,0,0]=3 7762 B16R2.1054 CCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210303_100000090176 [1,1,0,0,0,0|1,1,0]=4 7763 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100000210303_100010171453 [1,1,0,0,0,0|0,1,0]=3 7764 B16R2.1054 CCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210303 [1,1,0,0,0,0|0,1,0]=3 7765 B16R2.1054 CCCSc1cc(c2ccccc2c1)O 62a_100000210303_100010089979 [1,1,0,0,0,0|0,1,0]=3 7766 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100000210303_100000184993 [1,1,0,0,0,0|1,1,0]=4 7767 B16R2.1054 CCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210303 [1,1,0,0,0,0|1,1,0]=4 7768 B16R2.1054 CCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210303 [1,1,0,0,0,0|1,1,0]=4 7769 B16R2.1054 CCCSc1cc(c2cccnc2c1)N 62a_100000210303_200010263263 [1,1,0,0,0,0|1,1,0]=4 7770 B16R2.1054 CCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210303 [1,1,0,0,0,0|1,1,0]=4 7771 B16R2.1054 CCCSc1cc(c2cnccc2c1)F 62a_100000210303_100011068762 [1,1,0,0,0,0|1,1,0]=4 7772 B16R2.1054 CCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000210303 [1,1,0,0,0,0|1,1,0]=4 7773 B16R2.1054 CCCSc1cc(c2ncccc2c1)C 62a_100000210303_100010130319 [1,1,0,0,0,0|1,1,0]=4 7774 B16R2.1054 CCCSc1cc(c2ncccc2c1)Cl 62a_100000210303_200010369337 [1,1,0,0,0,0|1,1,0]=4 7775 B16R2.1054 CCCSc1cc(c2ncccc2c1)F 62a_100000210303_100010234705 [1,1,0,0,0,0|1,1,0]=4 7776 B16R2.1054 CCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210303 [1,1,0,0,0,0|1,1,0]=4 7777 B16R2.1054 CCCSc1cc(c2ncccc2c1)N 62a_100000210303_100009814519 [1,1,0,0,0,0|1,1,0]=4 7778 B16R2.1054 CCCSc1cc(c2ncccc2c1)O 62a_100000210303_100010248853 [1,1,0,0,0,0|1,1,0]=4 7779 B16R2.1054 CCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210303_200015811170 [1,1,0,0,0,0|1,1,0]=4 7780 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100000210303_100009957331 [1,1,0,0,0,0|1,1,0]=4 7781 B16R2.1054 CCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210303 [1,1,0,0,0,0|1,1,0]=4 7782 B16R2.1054 COCSc1cc(c2ccccc2c1)N 62a_100000766300_100010171453 [1,1,0,0,0,0|1,1,0]=4 7783 B16R2.1054 COCSc1cc(c2ccccc2c1)N 62a_100010171453_100000766300 [1,1,0,0,0,0|1,1,0]=4 7784 B16R2.1054 COCSc1cc(c2ccccc2c1)O 62a_100000766300_100010089979 [1,1,0,0,0,0|1,1,0]=4 7785 B16R2.1054 CSCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011218213 [1,1,0,0,0,0|2,0,0]=4 7786 B16R2.1054 CSCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011218213 [1,1,0,0,0,0|1,0,0]=3 7787 B16R2.1054 CSCOc1cc(c2cnccc2c1)Br 34a_100011009069_100011218213 [1,1,0,0,0,0|2,0,0]=4 7788 B16R2.1054 CSCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100011218213 [1,1,0,0,0,0|2,0,0]=4 7789 B16R2.1054 CSCOc1cc(c2ncccc2c1)F 34a_100009888031_100011218213 [1,1,0,0,0,0|2,0,0]=4 7790 B16R2.1054 CSCOc1cc(c2ncccc2c1)N 34a_100000083691_100011218213 [1,1,0,0,0,0|2,0,0]=4 7791 B16R2.1054 CSCSc1cc(c2ccccc2c1)N 62a_100010171453_100011218213 [1,1,0,0,0,0|1,1,0]=4 7792 B16R2.1054 CSCSc1cc(c2ccccc2c1)N 62a_100011218213_100010171453 [1,1,0,0,0,0|1,1,0]=4 7793 B16R2.1054 CSCSc1cc(c2ccccc2c1)O 62a_100011218213_100010089979 [1,1,0,0,0,0|1,1,0]=4 7794 B16R2.1054 FCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011217306 [1,1,0,0,0,0|2,0,0]=4 7795 B16R2.1054 FCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011217306 [1,1,0,0,0,0|2,0,0]=4 7796 B16R2.1054 FCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011217306 [1,1,0,0,0,0|1,0,0]=3 7797 B16R2.1054 FCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011217306 [1,1,0,0,0,0|1,0,0]=3 7798 B16R2.1054 FCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100011217306 [1,1,0,0,0,0|2,0,0]=4 7799 B16R2.1054 FCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100011217306 [1,1,0,0,0,0|2,0,0]=4 7800 B16R2.1054 FCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100011217306 [1,1,0,0,0,0|2,0,0]=4 7801 B16R2.1054 FCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100011217306 [1,1,0,0,0,0|2,0,0]=4 7802 B16R2.1054 FCCOc1cc(c2ncccc2c1)F 34a_100009888031_100011217306 [1,1,0,0,0,0|2,0,0]=4 7803 B16R2.1054 FCCOc1cc(c2ncccc2c1)F 7a_100009888031_100011217306 [1,1,0,0,0,0|2,0,0]=4 7804 B16R2.1054 N#CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011215382 [1,1,0,0,0,0|1,0,1]=4 7805 B16R2.1054 Nc1cc(cc2c1cccc2)SCCF 62a_100010171453_100011217306 [1,1,0,0,0,0|1,1,0]=4 7806 B16R2.1054 Nc1cc(cc2c1cccc2)SCCF 62a_100011217306_100010171453 [1,1,0,0,0,0|1,1,0]=4 7807 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100000211926_100010171453 [1,1,0,0,0,0|1,1,0]=4 7808 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100010171453_100000211926 [1,1,0,0,0,0|1,1,0]=4 7809 B16R2.1054 Nc1cc(cc2c1nccc2)OCCF 34a_100000083691_100011217306 [1,1,0,0,0,0|2,0,0]=4 7810 B16R2.1054 Nc1cc(cc2c1nccc2)OCCO 34a_100000083691_100000211926 [1,1,0,0,0,0|2,0,0]=4 7811 B16R2.1054 O=CCOc1cc(c2ccccc2c1)Br 34a_100010001680_200009817547 [1,1,0,0,0,0|1,0,1]=4 7812 B16R2.1054 O=CCOc1cc(c2ccccc2c1)Br 7a_100010001680_200015260668 [1,1,0,0,0,0|1,0,1]=4 7813 B16R2.1054 OCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000211926 [1,1,0,0,0,0|2,0,0]=4 7814 B16R2.1054 OCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000211926 [1,1,0,0,0,0|2,0,0]=4 7815 B16R2.1054 OCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000211926 [1,1,0,0,0,0|1,0,0]=3 7816 B16R2.1054 OCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000211926 [1,1,0,0,0,0|1,0,0]=3 7817 B16R2.1054 OCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000211926 [1,1,0,0,0,0|2,0,0]=4 7818 B16R2.1054 OCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000211926 [1,1,0,0,0,0|2,0,0]=4 7819 B16R2.1054 OCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000211926 [1,1,0,0,0,0|2,0,0]=4 7820 B16R2.1054 OCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000211926 [1,1,0,0,0,0|2,0,0]=4 7821 B16R2.1054 OCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000211926 [1,1,0,0,0,0|2,0,0]=4 7822 B16R2.1054 OCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000211926 [1,1,0,0,0,0|2,0,0]=4 7823 B16R2.1054 OCCSc1cc(c2ccccc2c1)O 62a_100000211926_100010089979 [1,1,0,0,0,0|1,1,0]=4 7824 B16R2.1054 Oc1cc(cc2c1cccc2)SCCF 62a_100011217306_100010089979 [1,1,0,0,0,0|1,1,0]=4 7825 B16R2.1056 C#CCOc1cc2ccccc2cc1Br 34a_100009817189_100000184674 [1,1,0,0,0,0|0,0,2]=4 7826 B16R2.1056 C#CCOc1cc2ccccc2cc1Br 7a_100009817189_100000038162 [1,1,0,0,0,0|0,0,2]=4 7827 B16R2.1056 C#CCOc1cc2ccccc2cc1C 34a_100000091601_100000184674 [1,1,0,0,0,0|0,0,2]=4 7828 B16R2.1056 C#CCOc1cc2ccccc2cc1C 7a_100000091601_100000038162 [1,1,0,0,0,0|0,0,2]=4 7829 B16R2.1056 C#CCOc1cc2ccccc2cc1N 34a_106744474703_100000184674 [1,1,0,0,0,0|0,0,2]=4 7830 B16R2.1056 C#CCOc1cc2ccccc2cc1N 7a_106744474703_100000038162 [1,1,0,0,0,0|0,0,2]=4 7831 B16R2.1056 C=CCOc1cc2ccccc2cc1Br 34a_100009817189_100015514636 [1,1,0,0,0,0|0,0,2]=4 7832 B16R2.1056 C=CCOc1cc2ccccc2cc1Br 7a_100009817189_100015514636 [1,1,0,0,0,0|0,0,2]=4 7833 B16R2.1056 C=CCOc1cc2ccccc2cc1C 34a_100000091601_100015514636 [1,1,0,0,0,0|0,0,2]=4 7834 B16R2.1056 C=CCOc1cc2ccccc2cc1C 7a_100000091601_100015514636 [1,1,0,0,0,0|0,0,2]=4 7835 B16R2.1056 C=CCOc1cc2ccccc2cc1N 34a_106744474703_100015514636 [1,1,0,0,0,0|0,0,2]=4 7836 B16R2.1056 C=CCOc1cc2ccccc2cc1N 7a_106744474703_100015514636 [1,1,0,0,0,0|0,0,2]=4 7837 B16R2.1056 CCCCc1cc2ccccc2cc1Br 271570a_100020621405_200010169544 [1,1,0,0,0,0|0,0,0]=2 7838 B16R2.1056 CCCCc1cc2ccccc2cc1Cl 271570a_100020621405_100010152806 [1,1,0,0,0,0|0,0,0]=2 7839 B16R2.1056 CCCCc1cc2ccccc2cc1N 271570a_100020621405_100009991566 [1,1,0,0,0,0|0,0,0]=2 7840 B16R2.1056 CCCCc1cc2ccccc2cc1O 271570a_100020621405_100009817189 [1,1,0,0,0,0|0,0,0]=2 7841 B16R2.1056 CCCCc1cc2ccccc2nc1Cl 271570a_100020621405_100010220712 [1,1,0,0,0,0|1,0,0]=3 7842 B16R2.1056 CCCCc1cc2ccccc2nc1F 271570a_100020621405_100011158909 [1,1,0,0,0,0|1,0,0]=3 7843 B16R2.1056 CCCCc1cc2ccccc2nc1N 271570a_100020621405_100010135404 [1,1,0,0,0,0|1,0,0]=3 7844 B16R2.1056 CCCCc1cc2ccccc2nc1O 271570a_100020621405_200009820883 [1,1,0,0,0,0|1,0,0]=3 7845 B16R2.1056 CCCCc1cc2ccccc2oc1=O 271570a_100020621405_200000187772 [1,1,0,0,0,0|1,0,0]=3 7846 B16R2.1056 CCCCc1cc2cccnc2cc1C 271570a_100020621405_100010137429 [1,1,0,0,0,0|1,0,0]=3 7847 B16R2.1056 CCCCc1cc2cccnc2cc1F 271570a_100020621405_100009854028 [1,1,0,0,0,0|1,0,0]=3 7848 B16R2.1056 CCCCc1cc2ccncc2cc1F 271570a_100020621405_100011105921 [1,1,0,0,0,0|1,0,0]=3 7849 B16R2.1056 CCCCc1cc2cnccc2cc1F 271570a_100020621405_100010244713 [1,1,0,0,0,0|1,0,0]=3 7850 B16R2.1056 CCCCc1cc2ncccc2cc1O 271570a_100020621405_200010153759 [1,1,0,0,0,0|1,0,0]=3 7851 B16R2.1056 CCCCc1cc2nccnc2cc1C 271570a_100020621405_100010080479 [1,1,0,0,0,0|2,0,0]=4 7852 B16R2.1056 CCCCc1cc2nccnc2cc1F 271570a_100020621405_100010080477 [1,1,0,0,0,0|2,0,0]=4 7853 B16R2.1056 CCCCc1nc2ccccc2cc1Br 271570a_100020621405_100010072790 [1,1,0,0,0,0|1,0,0]=3 7854 B16R2.1056 CCCCc1nc2ccccc2cc1C 271570a_100020621405_100000751756 [1,1,0,0,0,0|1,0,0]=3 7855 B16R2.1056 CCCCc1nc2ccccc2cc1O 271570a_100020621405_200000100762 [1,1,0,0,0,0|1,0,0]=3 7856 B16R2.1056 CCCCc1nc2ccccc2nc1C 271570a_100020621405_100000185947 [1,1,0,0,0,0|2,0,0]=4 7857 B16R2.1056 CCCCc1nc2ccccc2nc1N 271570a_100020621405_100000009970 [1,1,0,0,0,0|2,0,0]=4 7858 B16R2.1056 CCCCc1nc2ncccc2cc1C 271570a_100020621405_100009877248 [1,1,0,0,0,0|2,0,0]=4 7859 B16R2.1056 CCCNc1cc2ccccc2cc1Br 34a_100009991566_100000210303 [1,1,0,0,0,0|1,0,0]=3 7860 B16R2.1056 CCCNc1cc2ccccc2cc1Br 7a_100009991566_100000210303 [1,1,0,0,0,0|1,0,0]=3 7861 B16R2.1056 CCCOc1cc2ccccc2cc1Br 34a_100009817189_100000210303 [1,1,0,0,0,0|0,0,0]=2 7862 B16R2.1056 CCCOc1cc2ccccc2cc1Br 7a_100009817189_100000210303 [1,1,0,0,0,0|0,0,0]=2 7863 B16R2.1056 CCCOc1cc2ccccc2cc1C 34a_100000091601_100000210303 [1,1,0,0,0,0|0,0,0]=2 7864 B16R2.1056 CCCOc1cc2ccccc2cc1C 7a_100000091601_100000210303 [1,1,0,0,0,0|0,0,0]=2 7865 B16R2.1056 CCCOc1cc2ccccc2cc1N 34a_106744474703_100000210303 [1,1,0,0,0,0|0,0,0]=2 7866 B16R2.1056 CCCOc1cc2ccccc2cc1N 7a_106744474703_100000210303 [1,1,0,0,0,0|0,0,0]=2 7867 B16R2.1056 CCCOc1cc2ccccc2nc1C 34a_200000079175_100000210303 [1,1,0,0,0,0|1,0,0]=3 7868 B16R2.1056 CCCOc1cc2ccccc2nc1C 7a_200000079175_100000210303 [1,1,0,0,0,0|1,0,0]=3 7869 B16R2.1056 CCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210303 [1,1,0,0,0,0|1,0,0]=3 7870 B16R2.1056 CCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210303 [1,1,0,0,0,0|1,0,0]=3 7871 B16R2.1056 CCCOc1cc2ccccc2oc1=O 7a_100000061252_100000210303 [1,1,0,0,0,0|1,0,0]=3 7872 B16R2.1056 CCCOc1cc2cccnc2cc1Br 34a_200010153759_100000210303 [1,1,0,0,0,0|1,0,0]=3 7873 B16R2.1056 CCCOc1cc2cccnc2cc1Br 7a_200010153759_100000210303 [1,1,0,0,0,0|1,0,0]=3 7874 B16R2.1056 CCCSc1cc2ccccc2cc1N 62a_100000210303_100009991566 [1,1,0,0,0,0|0,1,0]=3 7875 B16R2.1056 CCCSc1cc2ccccc2cc1N 62a_100009991566_100000210303 [1,1,0,0,0,0|0,1,0]=3 7876 B16R2.1056 CCCSc1cc2ccccc2cc1O 62a_100000210303_100009817189 [1,1,0,0,0,0|0,1,0]=3 7877 B16R2.1056 CCCSc1cc2ccccc2nc1Cl 62a_100000210303_100010220712 [1,1,0,0,0,0|1,1,0]=4 7878 B16R2.1056 CCCSc1cc2ccccc2nc1F 62a_100000210303_100011158909 [1,1,0,0,0,0|1,1,0]=4 7879 B16R2.1056 CCCSc1cc2ccccc2nc1F 62a_100011158909_100000210303 [1,1,0,0,0,0|1,1,0]=4 7880 B16R2.1056 CCCSc1cc2ccccc2nc1N 62a_100010135404_100000210303 [1,1,0,0,0,0|1,1,0]=4 7881 B16R2.1056 CCCSc1cc2ccccc2nc1O 62a_100000210303_200009820883 [1,1,0,0,0,0|1,1,0]=4 7882 B16R2.1056 CCCSc1cc2ccccc2oc1=O 62a_100000210303_200000187772 [1,1,0,0,0,0|1,1,0]=4 7883 B16R2.1056 CCCSc1cc2cccnc2cc1C 62a_100000210303_100010137429 [1,1,0,0,0,0|1,1,0]=4 7884 B16R2.1056 CCCSc1cc2cccnc2cc1C 62a_100010137429_100000210303 [1,1,0,0,0,0|1,1,0]=4 7885 B16R2.1056 CCCSc1cc2cccnc2cc1F 62a_100000210303_100009854028 [1,1,0,0,0,0|1,1,0]=4 7886 B16R2.1056 CCCSc1cc2cccnc2cc1F 62a_100009854028_100000210303 [1,1,0,0,0,0|1,1,0]=4 7887 B16R2.1056 CCCSc1cc2ccncc2cc1F 62a_100000210303_100011105921 [1,1,0,0,0,0|1,1,0]=4 7888 B16R2.1056 CCCSc1cc2ccncc2cc1F 62a_100011105921_100000210303 [1,1,0,0,0,0|1,1,0]=4 7889 B16R2.1056 CCCSc1cc2cnccc2cc1F 62a_100000210303_100010244713 [1,1,0,0,0,0|1,1,0]=4 7890 B16R2.1056 CCCSc1cc2cnccc2cc1F 62a_100010244713_100000210303 [1,1,0,0,0,0|1,1,0]=4 7891 B16R2.1056 CCCSc1cc2ncccc2cc1O 62a_100000210303_200010153759 [1,1,0,0,0,0|1,1,0]=4 7892 B16R2.1056 CCCSc1nc2ccccc2cc1Br 62a_100000210303_100010072790 [1,1,0,0,0,0|1,1,0]=4 7893 B16R2.1056 CCCSc1nc2ccccc2cc1Br 62a_100010072790_100000210303 [1,1,0,0,0,0|1,1,0]=4 7894 B16R2.1056 CCCSc1nc2ccccc2cc1C 62a_100000210303_100000751756 [1,1,0,0,0,0|1,1,0]=4 7895 B16R2.1056 CCCSc1nc2ccccc2cc1O 62a_100000210303_200000100762 [1,1,0,0,0,0|1,1,0]=4 7896 B16R2.1056 CCNCc1cc2ccccc2nc1Cl 2230a_100015525214_100000189640 [1,1,0,0,0,0|2,0,0]=4 7897 B16R2.1056 CCNCc1cc2ccccc2nc1O 207a_100015525214_100000184424 [1,1,0,0,0,0|2,0,0]=4 7898 B16R2.1056 CCNCc1cc2ccccc2nc1O 270004a_100015525214_100000184424 [1,1,0,0,0,0|2,0,0]=4 7899 B16R2.1056 CCOCc1cc2ccccc2nc1Cl 34a_100000754719_100000210202 [1,1,0,0,0,0|2,0,0]=4 7900 B16R2.1056 CCOCc1cc2ccccc2nc1Cl 34a_100121572206_100000189640 [1,1,0,0,0,0|2,0,0]=4 7901 B16R2.1056 CCOCc1cc2ccccc2nc1Cl 7a_100000754719_100000210202 [1,1,0,0,0,0|2,0,0]=4 7902 B16R2.1056 CCSCc1cc2ccccc2nc1Cl 62a_100000210202_100000189640 [1,1,0,0,0,0|2,0,0]=4 7903 B16R2.1056 CNCCc1cc2ccccc2nc1Cl 2230a_106832991635_100000066995 [1,1,0,0,0,0|2,0,0]=4 7904 B16R2.1056 CNCCc1cc2ccccc2nc1Cl 34a_100102657272_100000066995 [1,1,0,0,0,0|2,0,0]=4 7905 B16R2.1056 CNCCc1cc2ccccc2nc1Cl 7a_106832991635_100000066995 [1,1,0,0,0,0|2,0,0]=4 7906 B16R2.1056 COCCc1cc2ccccc2nc1Cl 34a_100138415774_100000066995 [1,1,0,0,0,0|2,0,0]=4 7907 B16R2.1056 COCSc1cc2ccccc2cc1Br 62a_100000766300_200010169544 [1,1,0,0,0,0|1,1,0]=4 7908 B16R2.1056 COCSc1cc2ccccc2cc1Br 62a_200010169544_100000766300 [1,1,0,0,0,0|1,1,0]=4 7909 B16R2.1056 COCSc1cc2ccccc2cc1Cl 62a_100000766300_100010152806 [1,1,0,0,0,0|1,1,0]=4 7910 B16R2.1056 COCSc1cc2ccccc2cc1Cl 62a_100010152806_100000766300 [1,1,0,0,0,0|1,1,0]=4 7911 B16R2.1056 COCSc1cc2ccccc2cc1N 62a_100000766300_100009991566 [1,1,0,0,0,0|1,1,0]=4 7912 B16R2.1056 COCSc1cc2ccccc2cc1N 62a_100009991566_100000766300 [1,1,0,0,0,0|1,1,0]=4 7913 B16R2.1056 COCSc1cc2ccccc2cc1O 62a_100000766300_100009817189 [1,1,0,0,0,0|1,1,0]=4 7914 B16R2.1056 CSCCc1cc2ccccc2nc1Cl 62a_200000210301_100000066995 [1,1,0,0,0,0|2,0,0]=4 7915 B16R2.1056 CSCNc1cc2ccccc2cc1Br 34a_100009991566_100011218213 [1,1,0,0,0,0|2,0,0]=4 7916 B16R2.1056 CSCOc1cc2ccccc2cc1Br 34a_100009817189_100011218213 [1,1,0,0,0,0|1,0,0]=3 7917 B16R2.1056 CSCOc1cc2ccccc2cc1C 34a_100000091601_100011218213 [1,1,0,0,0,0|1,0,0]=3 7918 B16R2.1056 CSCOc1cc2ccccc2cc1N 34a_106744474703_100011218213 [1,1,0,0,0,0|1,0,0]=3 7919 B16R2.1056 CSCOc1cc2ccccc2nc1C 34a_200000079175_100011218213 [1,1,0,0,0,0|2,0,0]=4 7920 B16R2.1056 CSCOc1cc2ccccc2nc1Cl 34a_200000100762_100011218213 [1,1,0,0,0,0|2,0,0]=4 7921 B16R2.1056 CSCOc1cc2cccnc2cc1Br 34a_200010153759_100011218213 [1,1,0,0,0,0|2,0,0]=4 7922 B16R2.1056 CSCSc1cc2ccccc2cc1Cl 62a_100010152806_100011218213 [1,1,0,0,0,0|1,1,0]=4 7923 B16R2.1056 CSCSc1cc2ccccc2cc1Cl 62a_100011218213_100010152806 [1,1,0,0,0,0|1,1,0]=4 7924 B16R2.1056 CSCSc1cc2ccccc2cc1N 62a_100009991566_100011218213 [1,1,0,0,0,0|1,1,0]=4 7925 B16R2.1056 CSCSc1cc2ccccc2cc1N 62a_100011218213_100009991566 [1,1,0,0,0,0|1,1,0]=4 7926 B16R2.1056 CSCSc1cc2ccccc2cc1O 62a_100011218213_100009817189 [1,1,0,0,0,0|1,1,0]=4 7927 B16R2.1056 Cc1cc2ccccc2cc1OCC#N 7a_100000091601_100011215382 [1,1,0,0,0,0|1,0,1]=4 7928 B16R2.1056 Cc1cc2ccccc2cc1OCC=O 34a_100000091601_200009817547 [1,1,0,0,0,0|1,0,1]=4 7929 B16R2.1056 Cc1cc2ccccc2cc1OCC=O 7a_100000091601_200015260668 [1,1,0,0,0,0|1,0,1]=4 7930 B16R2.1056 Cc1cc2ccccc2cc1OCCF 34a_100000091601_100011217306 [1,1,0,0,0,0|1,0,0]=3 7931 B16R2.1056 Cc1cc2ccccc2cc1OCCF 7a_100000091601_100011217306 [1,1,0,0,0,0|1,0,0]=3 7932 B16R2.1056 Cc1cc2ccccc2cc1OCCO 34a_100000091601_100000211926 [1,1,0,0,0,0|1,0,0]=3 7933 B16R2.1056 Cc1cc2ccccc2cc1OCCO 7a_100000091601_100000211926 [1,1,0,0,0,0|1,0,0]=3 7934 B16R2.1056 Cc1nc2ccccc2cc1OCCF 34a_200000079175_100011217306 [1,1,0,0,0,0|2,0,0]=4 7935 B16R2.1056 Cc1nc2ccccc2cc1OCCF 7a_200000079175_100011217306 [1,1,0,0,0,0|2,0,0]=4 7936 B16R2.1056 Cc1nc2ccccc2cc1OCCO 34a_200000079175_100000211926 [1,1,0,0,0,0|2,0,0]=4 7937 B16R2.1056 Cc1nc2ccccc2cc1OCCO 7a_200000079175_100000211926 [1,1,0,0,0,0|2,0,0]=4 7938 B16R2.1056 FCCNc1cc2ccccc2cc1Br 34a_100009991566_100011217306 [1,1,0,0,0,0|2,0,0]=4 7939 B16R2.1056 FCCNc1cc2ccccc2cc1Br 7a_100009991566_100011217306 [1,1,0,0,0,0|2,0,0]=4 7940 B16R2.1056 FCCOc1cc2ccccc2cc1Br 34a_100009817189_100011217306 [1,1,0,0,0,0|1,0,0]=3 7941 B16R2.1056 FCCOc1cc2ccccc2cc1Br 7a_100009817189_100011217306 [1,1,0,0,0,0|1,0,0]=3 7942 B16R2.1056 FCCOc1cc2ccccc2nc1Cl 34a_200000100762_100011217306 [1,1,0,0,0,0|2,0,0]=4 7943 B16R2.1056 FCCOc1cc2ccccc2nc1Cl 7a_200000100762_100011217306 [1,1,0,0,0,0|2,0,0]=4 7944 B16R2.1056 FCCOc1cc2cccnc2cc1Br 34a_200010153759_100011217306 [1,1,0,0,0,0|2,0,0]=4 7945 B16R2.1056 FCCOc1cc2cccnc2cc1Br 7a_200010153759_100011217306 [1,1,0,0,0,0|2,0,0]=4 7946 B16R2.1056 FCCSc1cc2ccccc2cc1Br 62a_100011217306_200010169544 [1,1,0,0,0,0|1,1,0]=4 7947 B16R2.1056 FCCSc1cc2ccccc2cc1Br 62a_200010169544_100011217306 [1,1,0,0,0,0|1,1,0]=4 7948 B16R2.1056 FCCSc1cc2ccccc2cc1Cl 62a_100010152806_100011217306 [1,1,0,0,0,0|1,1,0]=4 7949 B16R2.1056 FCCSc1cc2ccccc2cc1Cl 62a_100011217306_100010152806 [1,1,0,0,0,0|1,1,0]=4 7950 B16R2.1056 N#CCOc1cc2ccccc2cc1Br 7a_100009817189_100011215382 [1,1,0,0,0,0|1,0,1]=4 7951 B16R2.1056 N#CCOc1cc2ccccc2cc1N 7a_106744474703_100011215382 [1,1,0,0,0,0|1,0,1]=4 7952 B16R2.1056 Nc1cc2ccccc2cc1OCC=O 34a_106744474703_200009817547 [1,1,0,0,0,0|1,0,1]=4 7953 B16R2.1056 Nc1cc2ccccc2cc1OCC=O 7a_106744474703_200015260668 [1,1,0,0,0,0|1,0,1]=4 7954 B16R2.1056 Nc1cc2ccccc2cc1OCCF 34a_106744474703_100011217306 [1,1,0,0,0,0|1,0,0]=3 7955 B16R2.1056 Nc1cc2ccccc2cc1OCCF 7a_106744474703_100011217306 [1,1,0,0,0,0|1,0,0]=3 7956 B16R2.1056 Nc1cc2ccccc2cc1OCCO 34a_106744474703_100000211926 [1,1,0,0,0,0|1,0,0]=3 7957 B16R2.1056 Nc1cc2ccccc2cc1OCCO 7a_106744474703_100000211926 [1,1,0,0,0,0|1,0,0]=3 7958 B16R2.1056 Nc1cc2ccccc2cc1SCCF 62a_100009991566_100011217306 [1,1,0,0,0,0|1,1,0]=4 7959 B16R2.1056 Nc1cc2ccccc2cc1SCCF 62a_100011217306_100009991566 [1,1,0,0,0,0|1,1,0]=4 7960 B16R2.1056 Nc1cc2ccccc2cc1SCCO 62a_100000211926_100009991566 [1,1,0,0,0,0|1,1,0]=4 7961 B16R2.1056 Nc1cc2ccccc2cc1SCCO 62a_100009991566_100000211926 [1,1,0,0,0,0|1,1,0]=4 7962 B16R2.1056 O=CCOc1cc2ccccc2cc1Br 34a_100009817189_200009817547 [1,1,0,0,0,0|1,0,1]=4 7963 B16R2.1056 O=CCOc1cc2ccccc2cc1Br 7a_100009817189_200015260668 [1,1,0,0,0,0|1,0,1]=4 7964 B16R2.1056 O=c1oc2ccccc2cc1OCCF 7a_100000061252_100011217306 [1,1,0,0,0,0|2,0,0]=4 7965 B16R2.1056 O=c1oc2ccccc2cc1OCCO 7a_100000061252_100000211926 [1,1,0,0,0,0|2,0,0]=4 7966 B16R2.1056 OCCNc1cc2ccccc2cc1Br 34a_100009991566_100000211926 [1,1,0,0,0,0|2,0,0]=4 7967 B16R2.1056 OCCNc1cc2ccccc2cc1Br 7a_100009991566_100000211926 [1,1,0,0,0,0|2,0,0]=4 7968 B16R2.1056 OCCOc1cc2ccccc2cc1Br 34a_100009817189_100000211926 [1,1,0,0,0,0|1,0,0]=3 7969 B16R2.1056 OCCOc1cc2ccccc2cc1Br 7a_100009817189_100000211926 [1,1,0,0,0,0|1,0,0]=3 7970 B16R2.1056 OCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000211926 [1,1,0,0,0,0|2,0,0]=4 7971 B16R2.1056 OCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000211926 [1,1,0,0,0,0|2,0,0]=4 7972 B16R2.1056 OCCOc1cc2cccnc2cc1Br 34a_200010153759_100000211926 [1,1,0,0,0,0|2,0,0]=4 7973 B16R2.1056 OCCOc1cc2cccnc2cc1Br 7a_200010153759_100000211926 [1,1,0,0,0,0|2,0,0]=4 7974 B16R2.1056 OCCSc1cc2ccccc2cc1Br 62a_100000211926_200010169544 [1,1,0,0,0,0|1,1,0]=4 7975 B16R2.1056 OCCSc1cc2ccccc2cc1Br 62a_200010169544_100000211926 [1,1,0,0,0,0|1,1,0]=4 7976 B16R2.1056 OCCSc1cc2ccccc2cc1Cl 62a_100000211926_100010152806 [1,1,0,0,0,0|1,1,0]=4 7977 B16R2.1056 OCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000211926 [1,1,0,0,0,0|1,1,0]=4 7978 B16R2.1056 OCCSc1cc2ccccc2cc1O 62a_100000211926_100009817189 [1,1,0,0,0,0|1,1,0]=4 7979 B16R2.1056 Oc1cc2ccccc2cc1SCCF 62a_100011217306_100009817189 [1,1,0,0,0,0|1,1,0]=4 7980 B16R2.1056 [13CH3]SCCc1cc2ccccc2nc1Cl 62a_200025704644_100000066995 [1,1,0,0,0,0|2,0,0]=4 7981 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000184674 [1,1,0,0,0,0|0,0,2]=4 7982 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000038162 [1,1,0,0,0,0|0,0,2]=4 7983 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000184674 [1,1,0,0,0,0|0,0,2]=4 7984 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000038162 [1,1,0,0,0,0|0,0,2]=4 7985 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000184674 [1,1,0,0,0,0|0,0,2]=4 7986 B16R2.1285 C#CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000038162 [1,1,0,0,0,0|0,0,2]=4 7987 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100015514636 [1,1,0,0,0,0|0,0,2]=4 7988 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100015514636 [1,1,0,0,0,0|0,0,2]=4 7989 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100015514636 [1,1,0,0,0,0|0,0,2]=4 7990 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100015514636 [1,1,0,0,0,0|0,0,2]=4 7991 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100015514636 [1,1,0,0,0,0|0,0,2]=4 7992 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100015514636 [1,1,0,0,0,0|0,0,2]=4 7993 B16R2.1285 CCCCc1cc2[nH]c(=O)ccc2cn1 271570a_100020621405_100010563892 [1,1,0,0,0,0|2,0,0]=4 7994 B16R2.1285 CCCCc1cc2cc(ccc2cn1)F 271570a_100020621405_100009828686 [1,1,0,0,0,0|1,0,0]=3 7995 B16R2.1285 CCCCc1ccc2cc[n+](cc2c1)[O-] 271570a_100020621405_100009816120 [1,1,0,0,0,0|1,0,0]=3 7996 B16R2.1285 CCCCc1ccc2ccc(=O)oc2c1 271570a_100020621405_100009993525 [1,1,0,0,0,0|1,0,0]=3 7997 B16R2.1285 CCCCc1ccc2ccc(cc2c1)N 271570a_100020621405_100010090036 [1,1,0,0,0,0|0,0,0]=2 7998 B16R2.1285 CCCCc1ccc2ccc(cc2c1)O 271570a_100020621405_100009816537 [1,1,0,0,0,0|0,0,0]=2 7999 B16R2.1285 CCCCc1ccc2ccc(cc2n1)O 271570a_100020621405_100000079174 [1,1,0,0,0,0|1,0,0]=3 8000 B16R2.1285 CCCCc1ccc2ccc(nc2c1)C 271570a_100020621405_100009817087 [1,1,0,0,0,0|1,0,0]=3 8001 B16R2.1285 CCCCc1ccc2ccc(nc2c1)N 271570a_100020621405_100010187616 [1,1,0,0,0,0|1,0,0]=3 8002 B16R2.1285 CCCCc1ccc2ccc(nc2c1)O 271570a_100020621405_100000690401 [1,1,0,0,0,0|1,0,0]=3 8003 B16R2.1285 CCCCc1ccc2ccc(nc2n1)N 271570a_100020621405_100000117679 [1,1,0,0,0,0|2,0,0]=4 8004 B16R2.1285 CCCCc1ccc2ccc(nc2n1)O 271570a_100020621405_200010218124 [1,1,0,0,0,0|2,0,0]=4 8005 B16R2.1285 CCCCc1ccc2cnc(cc2c1)F 271570a_100020621405_100010291885 [1,1,0,0,0,0|1,0,0]=3 8006 B16R2.1285 CCCCc1ccc2cnc(cc2c1)N 271570a_100020621405_100009817123 [1,1,0,0,0,0|1,0,0]=3 8007 B16R2.1285 CCCCc1ccc2cnc(cc2c1)O 271570a_100020621405_100009817130 [1,1,0,0,0,0|1,0,0]=3 8008 B16R2.1285 CCCCc1ccc2cnc(nc2c1)C 271570a_100020621405_100010233817 [1,1,0,0,0,0|2,0,0]=4 8009 B16R2.1285 CCCCc1ccc2cnc(nc2c1)N 271570a_100020621405_100010199760 [1,1,0,0,0,0|2,0,0]=4 8010 B16R2.1285 CCCCc1ccc2ncc(cc2c1)Br 271570a_100020621405_200010254249 [1,1,0,0,0,0|1,0,0]=3 8011 B16R2.1285 CCCCc1ccc2ncc(cc2c1)C 271570a_100020621405_100009817055 [1,1,0,0,0,0|1,0,0]=3 8012 B16R2.1285 CCCCc1ccc2ncc(cc2c1)O 271570a_100020621405_100000703654 [1,1,0,0,0,0|1,0,0]=3 8013 B16R2.1285 CCCCc1ccc2ncc(cc2n1)F 271570a_100020621405_100009889179 [1,1,0,0,0,0|2,0,0]=4 8014 B16R2.1285 CCCCc1ccc2ncc(nc2c1)N 271570a_100020621405_100010090528 [1,1,0,0,0,0|2,0,0]=4 8015 B16R2.1285 CCCCc1ccc2ncc(nc2c1)O 271570a_100020621405_100010000190 [1,1,0,0,0,0|2,0,0]=4 8016 B16R2.1285 CCCCc1cnc2ccc(cc2c1)Br 271570a_100020621405_100010740133 [1,1,0,0,0,0|1,0,0]=3 8017 B16R2.1285 CCCCc1cnc2ccc(cc2c1)C 271570a_100020621405_100015841224 [1,1,0,0,0,0|1,0,0]=3 8018 B16R2.1285 CCCCc1cnc2ccc(cc2c1)Cl 271570a_100020621405_100015929906 [1,1,0,0,0,0|1,0,0]=3 8019 B16R2.1285 CCCCc1cnc2ccc(cc2c1)N 271570a_100020621405_100009888932 [1,1,0,0,0,0|1,0,0]=3 8020 B16R2.1285 CCCCc1cnc2ccc(cc2c1)O 271570a_100020621405_100010137430 [1,1,0,0,0,0|1,0,0]=3 8021 B16R2.1285 CCCCc1cnc2ccc(cc2n1)O 271570a_100020621405_200020640061 [1,1,0,0,0,0|2,0,0]=4 8022 B16R2.1285 CCCCc1cnc2ccc(nc2c1)O 271570a_100020621405_100010009477 [1,1,0,0,0,0|2,0,0]=4 8023 B16R2.1285 CCCCc1ncc2ccc(cc2n1)F 271570a_100020621405_100000104070 [1,1,0,0,0,0|2,0,0]=4 8024 B16R2.1285 CCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210303 [1,1,0,0,0,0|1,0,0]=3 8025 B16R2.1285 CCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210303 [1,1,0,0,0,0|1,0,0]=3 8026 B16R2.1285 CCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210303 [1,1,0,0,0,0|1,0,0]=3 8027 B16R2.1285 CCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210303 [1,1,0,0,0,0|1,0,0]=3 8028 B16R2.1285 CCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210303 [1,1,0,0,0,0|2,0,0]=4 8029 B16R2.1285 CCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210303 [1,1,0,0,0,0|1,0,0]=3 8030 B16R2.1285 CCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210303 [1,1,0,0,0,0|1,0,0]=3 8031 B16R2.1285 CCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210303 [1,1,0,0,0,0|1,0,0]=3 8032 B16R2.1285 CCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210303 [1,1,0,0,0,0|0,0,0]=2 8033 B16R2.1285 CCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210303 [1,1,0,0,0,0|0,0,0]=2 8034 B16R2.1285 CCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000210303 [1,1,0,0,0,0|0,0,0]=2 8035 B16R2.1285 CCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000210303 [1,1,0,0,0,0|0,0,0]=2 8036 B16R2.1285 CCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210303 [1,1,0,0,0,0|0,0,0]=2 8037 B16R2.1285 CCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210303 [1,1,0,0,0,0|0,0,0]=2 8038 B16R2.1285 CCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000210303 [1,1,0,0,0,0|1,0,0]=3 8039 B16R2.1285 CCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000210303 [1,1,0,0,0,0|1,0,0]=3 8040 B16R2.1285 CCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210303 [1,1,0,0,0,0|1,0,0]=3 8041 B16R2.1285 CCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210303 [1,1,0,0,0,0|1,0,0]=3 8042 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210303 [1,1,0,0,0,0|1,0,0]=3 8043 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210303 [1,1,0,0,0,0|1,0,0]=3 8044 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210303 [1,1,0,0,0,0|1,0,0]=3 8045 B16R2.1285 CCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210303 [1,1,0,0,0,0|1,0,0]=3 8046 B16R2.1285 CCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210303 [1,1,0,0,0,0|1,0,0]=3 8047 B16R2.1285 CCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210303 [1,1,0,0,0,0|1,0,0]=3 8048 B16R2.1285 CCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210303 [1,1,0,0,0,0|2,0,0]=4 8049 B16R2.1285 CCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210303 [1,1,0,0,0,0|1,0,0]=3 8050 B16R2.1285 CCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210303 [1,1,0,0,0,0|1,0,0]=3 8051 B16R2.1285 CCCSc1cc2cc(ccc2cn1)F 62a_100000210303_100009828686 [1,1,0,0,0,0|1,1,0]=4 8052 B16R2.1285 CCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210303 [1,1,0,0,0,0|1,1,0]=4 8053 B16R2.1285 CCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210303_100009816120 [1,1,0,0,0,0|1,1,0]=4 8054 B16R2.1285 CCCSc1ccc2ccc(=O)oc2c1 62a_100000210303_100009993525 [1,1,0,0,0,0|1,1,0]=4 8055 B16R2.1285 CCCSc1ccc2ccc(cc2c1)N 62a_100000210303_100010090036 [1,1,0,0,0,0|0,1,0]=3 8056 B16R2.1285 CCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210303 [1,1,0,0,0,0|0,1,0]=3 8057 B16R2.1285 CCCSc1ccc2ccc(cc2c1)O 62a_100000210303_100009816537 [1,1,0,0,0,0|0,1,0]=3 8058 B16R2.1285 CCCSc1ccc2ccc(cc2n1)O 62a_100000210303_100000079174 [1,1,0,0,0,0|1,1,0]=4 8059 B16R2.1285 CCCSc1ccc2ccc(nc2c1)C 62a_100000210303_100009817087 [1,1,0,0,0,0|1,1,0]=4 8060 B16R2.1285 CCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000210303 [1,1,0,0,0,0|1,1,0]=4 8061 B16R2.1285 CCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000210303 [1,1,0,0,0,0|1,1,0]=4 8062 B16R2.1285 CCCSc1ccc2ccc(nc2c1)O 62a_100000210303_100000690401 [1,1,0,0,0,0|1,1,0]=4 8063 B16R2.1285 CCCSc1ccc2cnc(cc2c1)F 62a_100000210303_100010291885 [1,1,0,0,0,0|1,1,0]=4 8064 B16R2.1285 CCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210303 [1,1,0,0,0,0|1,1,0]=4 8065 B16R2.1285 CCCSc1ccc2cnc(cc2c1)N 62a_100000210303_100009817123 [1,1,0,0,0,0|1,1,0]=4 8066 B16R2.1285 CCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000210303 [1,1,0,0,0,0|1,1,0]=4 8067 B16R2.1285 CCCSc1ccc2cnc(cc2c1)O 62a_100000210303_100009817130 [1,1,0,0,0,0|1,1,0]=4 8068 B16R2.1285 CCCSc1ccc2ncc(cc2c1)Br 62a_100000210303_200010254249 [1,1,0,0,0,0|1,1,0]=4 8069 B16R2.1285 CCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210303 [1,1,0,0,0,0|1,1,0]=4 8070 B16R2.1285 CCCSc1ccc2ncc(cc2c1)C 62a_100000210303_100009817055 [1,1,0,0,0,0|1,1,0]=4 8071 B16R2.1285 CCCSc1ccc2ncc(cc2c1)O 62a_100000210303_100000703654 [1,1,0,0,0,0|1,1,0]=4 8072 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Br 62a_100000210303_100010740133 [1,1,0,0,0,0|1,1,0]=4 8073 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000210303 [1,1,0,0,0,0|1,1,0]=4 8074 B16R2.1285 CCCSc1cnc2ccc(cc2c1)C 62a_100000210303_100015841224 [1,1,0,0,0,0|1,1,0]=4 8075 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Cl 62a_100000210303_100015929906 [1,1,0,0,0,0|1,1,0]=4 8076 B16R2.1285 CCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000210303 [1,1,0,0,0,0|1,1,0]=4 8077 B16R2.1285 CCCSc1cnc2ccc(cc2c1)N 62a_100000210303_100009888932 [1,1,0,0,0,0|1,1,0]=4 8078 B16R2.1285 CCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000210303 [1,1,0,0,0,0|1,1,0]=4 8079 B16R2.1285 CCCSc1cnc2ccc(cc2c1)O 62a_100000210303_100010137430 [1,1,0,0,0,0|1,1,0]=4 8080 B16R2.1285 CCNCc1ccc2ccc(cc2c1)Br 207a_100015525214_100010200085 [1,1,0,0,0,0|1,0,0]=3 8081 B16R2.1285 CCNCc1ccc2ccc(cc2c1)Br 270004a_100015525214_100010200085 [1,1,0,0,0,0|1,0,0]=3 8082 B16R2.1285 CCNCc1ccc2ccc(cc2n1)Cl 207a_100015525214_100000083681 [1,1,0,0,0,0|2,0,0]=4 8083 B16R2.1285 CCNCc1ccc2ccc(cc2n1)Cl 2230a_100015525214_100010196396 [1,1,0,0,0,0|2,0,0]=4 8084 B16R2.1285 CCNCc1ccc2ccc(cc2n1)Cl 270004a_100015525214_100000083681 [1,1,0,0,0,0|2,0,0]=4 8085 B16R2.1285 CCNCc1cnc2ccc(cc2c1)Br 207a_100015525214_100010174008 [1,1,0,0,0,0|2,0,0]=4 8086 B16R2.1285 CCNCc1cnc2ccc(cc2c1)Br 270004a_100015525214_100010174008 [1,1,0,0,0,0|2,0,0]=4 8087 B16R2.1285 CCNCc1cnc2ccc(cc2c1)Cl 207a_100015525214_200000110299 [1,1,0,0,0,0|2,0,0]=4 8088 B16R2.1285 CCNCc1cnc2ccc(cc2c1)Cl 270004a_100015525214_200000110299 [1,1,0,0,0,0|2,0,0]=4 8089 B16R2.1285 CCOCc1ccc2ccc(cc2n1)Cl 34a_100121572206_100010196396 [1,1,0,0,0,0|2,0,0]=4 8090 B16R2.1285 CCSCc1ccc2ccc(cc2n1)Cl 62a_100000210202_100010196396 [1,1,0,0,0,0|2,0,0]=4 8091 B16R2.1285 CCSCc1ccc2ccc(cc2n1)Cl 62a_100010196396_100000210202 [1,1,0,0,0,0|2,0,0]=4 8092 B16R2.1285 COCSc1ccc2ccc(cc2c1)N 62a_100000766300_100010090036 [1,1,0,0,0,0|1,1,0]=4 8093 B16R2.1285 COCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000766300 [1,1,0,0,0,0|1,1,0]=4 8094 B16R2.1285 COCSc1ccc2ccc(cc2c1)O 62a_100000766300_100009816537 [1,1,0,0,0,0|1,1,0]=4 8095 B16R2.1285 CSCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011218213 [1,1,0,0,0,0|2,0,0]=4 8096 B16R2.1285 CSCNc1ccc2ccc(cc2c1)O 34a_100015378740_100011218213 [1,1,0,0,0,0|2,0,0]=4 8097 B16R2.1285 CSCOc1cc2cc(ccc2cn1)F 34a_200000101709_100011218213 [1,1,0,0,0,0|2,0,0]=4 8098 B16R2.1285 CSCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100011218213 [1,1,0,0,0,0|2,0,0]=4 8099 B16R2.1285 CSCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011218213 [1,1,0,0,0,0|1,0,0]=3 8100 B16R2.1285 CSCOc1ccc2ccc(cc2c1)C 34a_100000091598_100011218213 [1,1,0,0,0,0|1,0,0]=3 8101 B16R2.1285 CSCOc1ccc2ccc(cc2c1)N 34a_100015378740_100011218213 [1,1,0,0,0,0|1,0,0]=3 8102 B16R2.1285 CSCOc1ccc2ccc(nc2c1)C 34a_100009867695_100011218213 [1,1,0,0,0,0|2,0,0]=4 8103 B16R2.1285 CSCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011218213 [1,1,0,0,0,0|2,0,0]=4 8104 B16R2.1285 CSCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100011218213 [1,1,0,0,0,0|2,0,0]=4 8105 B16R2.1285 CSCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011218213 [1,1,0,0,0,0|2,0,0]=4 8106 B16R2.1285 CSCOc1ccc2ncc(cc2c1)F 34a_100009845357_100011218213 [1,1,0,0,0,0|2,0,0]=4 8107 B16R2.1285 CSCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100011218213 [1,1,0,0,0,0|2,0,0]=4 8108 B16R2.1285 CSCSc1ccc2ccc(cc2c1)N 62a_100010090036_100011218213 [1,1,0,0,0,0|1,1,0]=4 8109 B16R2.1285 CSCSc1ccc2ccc(cc2c1)N 62a_100011218213_100010090036 [1,1,0,0,0,0|1,1,0]=4 8110 B16R2.1285 CSCSc1ccc2ccc(cc2c1)O 62a_100011218213_100009816537 [1,1,0,0,0,0|1,1,0]=4 8111 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC#N 7a_100000091598_100011215382 [1,1,0,0,0,0|1,0,1]=4 8112 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 34a_100000091598_200009817547 [1,1,0,0,0,0|1,0,1]=4 8113 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 7a_100000091598_200015260668 [1,1,0,0,0,0|1,0,1]=4 8114 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCF 34a_100000091598_100011217306 [1,1,0,0,0,0|1,0,0]=3 8115 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCF 7a_100000091598_100011217306 [1,1,0,0,0,0|1,0,0]=3 8116 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCO 34a_100000091598_100000211926 [1,1,0,0,0,0|1,0,0]=3 8117 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCO 7a_100000091598_100000211926 [1,1,0,0,0,0|1,0,0]=3 8118 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCF 34a_100009867695_100011217306 [1,1,0,0,0,0|2,0,0]=4 8119 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCF 7a_100009867695_100011217306 [1,1,0,0,0,0|2,0,0]=4 8120 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCO 34a_100009867695_100000211926 [1,1,0,0,0,0|2,0,0]=4 8121 B16R2.1285 Cc1ccc2ccc(cc2n1)OCCO 7a_100009867695_100000211926 [1,1,0,0,0,0|2,0,0]=4 8122 B16R2.1285 FCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011217306 [1,1,0,0,0,0|2,0,0]=4 8123 B16R2.1285 FCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011217306 [1,1,0,0,0,0|2,0,0]=4 8124 B16R2.1285 FCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100011217306 [1,1,0,0,0,0|2,0,0]=4 8125 B16R2.1285 FCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011217306 [1,1,0,0,0,0|1,0,0]=3 8126 B16R2.1285 FCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011217306 [1,1,0,0,0,0|1,0,0]=3 8127 B16R2.1285 FCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011217306 [1,1,0,0,0,0|2,0,0]=4 8128 B16R2.1285 FCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011217306 [1,1,0,0,0,0|2,0,0]=4 8129 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100011217306 [1,1,0,0,0,0|2,0,0]=4 8130 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100011217306 [1,1,0,0,0,0|2,0,0]=4 8131 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011217306 [1,1,0,0,0,0|2,0,0]=4 8132 B16R2.1285 FCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011217306 [1,1,0,0,0,0|2,0,0]=4 8133 B16R2.1285 FCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100011217306 [1,1,0,0,0,0|2,0,0]=4 8134 B16R2.1285 FCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100011217306 [1,1,0,0,0,0|2,0,0]=4 8135 B16R2.1285 FCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100011217306 [1,1,0,0,0,0|2,0,0]=4 8136 B16R2.1285 FCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100011217306 [1,1,0,0,0,0|2,0,0]=4 8137 B16R2.1285 N#CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011215382 [1,1,0,0,0,0|1,0,1]=4 8138 B16R2.1285 N#CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100011215382 [1,1,0,0,0,0|1,0,1]=4 8139 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 34a_100015378740_200009817547 [1,1,0,0,0,0|1,0,1]=4 8140 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 7a_100015378740_200015260668 [1,1,0,0,0,0|1,0,1]=4 8141 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCF 34a_100015378740_100011217306 [1,1,0,0,0,0|1,0,0]=3 8142 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCF 7a_100015378740_100011217306 [1,1,0,0,0,0|1,0,0]=3 8143 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCO 34a_100015378740_100000211926 [1,1,0,0,0,0|1,0,0]=3 8144 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCO 7a_100015378740_100000211926 [1,1,0,0,0,0|1,0,0]=3 8145 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCF 62a_100010090036_100011217306 [1,1,0,0,0,0|1,1,0]=4 8146 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCF 62a_100011217306_100010090036 [1,1,0,0,0,0|1,1,0]=4 8147 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCO 62a_100000211926_100010090036 [1,1,0,0,0,0|1,1,0]=4 8148 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCO 62a_100010090036_100000211926 [1,1,0,0,0,0|1,1,0]=4 8149 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_200009817547 [1,1,0,0,0,0|1,0,1]=4 8150 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_200015260668 [1,1,0,0,0,0|1,0,1]=4 8151 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCF 34a_100000185914_100011217306 [1,1,0,0,0,0|2,0,0]=4 8152 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCF 7a_100000185914_100011217306 [1,1,0,0,0,0|2,0,0]=4 8153 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCO 34a_100000185914_100000211926 [1,1,0,0,0,0|2,0,0]=4 8154 B16R2.1285 O=c1ccc2ccc(cc2o1)OCCO 7a_100000185914_100000211926 [1,1,0,0,0,0|2,0,0]=4 8155 B16R2.1285 OCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000211926 [1,1,0,0,0,0|2,0,0]=4 8156 B16R2.1285 OCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000211926 [1,1,0,0,0,0|2,0,0]=4 8157 B16R2.1285 OCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000211926 [1,1,0,0,0,0|2,0,0]=4 8158 B16R2.1285 OCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000211926 [1,1,0,0,0,0|2,0,0]=4 8159 B16R2.1285 OCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000211926 [1,1,0,0,0,0|2,0,0]=4 8160 B16R2.1285 OCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000211926 [1,1,0,0,0,0|1,0,0]=3 8161 B16R2.1285 OCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000211926 [1,1,0,0,0,0|1,0,0]=3 8162 B16R2.1285 OCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000211926 [1,1,0,0,0,0|2,0,0]=4 8163 B16R2.1285 OCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000211926 [1,1,0,0,0,0|2,0,0]=4 8164 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000211926 [1,1,0,0,0,0|2,0,0]=4 8165 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000211926 [1,1,0,0,0,0|2,0,0]=4 8166 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000211926 [1,1,0,0,0,0|2,0,0]=4 8167 B16R2.1285 OCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000211926 [1,1,0,0,0,0|2,0,0]=4 8168 B16R2.1285 OCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000211926 [1,1,0,0,0,0|2,0,0]=4 8169 B16R2.1285 OCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000211926 [1,1,0,0,0,0|2,0,0]=4 8170 B16R2.1285 OCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000211926 [1,1,0,0,0,0|2,0,0]=4 8171 B16R2.1285 OCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000211926 [1,1,0,0,0,0|2,0,0]=4 8172 B16R2.1285 OCCSc1ccc2ccc(cc2c1)O 62a_100000211926_100009816537 [1,1,0,0,0,0|1,1,0]=4 8173 B16R2.1285 Oc1ccc2ccc(cc2c1)NCCF 34a_100015378740_100011217306 [1,1,0,0,0,0|2,0,0]=4 8174 B16R2.1285 Oc1ccc2ccc(cc2c1)NCCF 7a_100015378740_100011217306 [1,1,0,0,0,0|2,0,0]=4 8175 B16R2.1285 Oc1ccc2ccc(cc2c1)SCCF 62a_100011217306_100009816537 [1,1,0,0,0,0|1,1,0]=4 8176 B16R2.1293 C#CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000184674 [1,1,0,0,0,0|0,0,2]=4 8177 B16R2.1293 C#CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000038162 [1,1,0,0,0,0|0,0,2]=4 8178 B16R2.1293 C#CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000184674 [1,1,0,0,0,0|0,0,2]=4 8179 B16R2.1293 C#CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000038162 [1,1,0,0,0,0|0,0,2]=4 8180 B16R2.1293 C#CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000184674 [1,1,0,0,0,0|0,0,2]=4 8181 B16R2.1293 C#CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000038162 [1,1,0,0,0,0|0,0,2]=4 8182 B16R2.1293 C#CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000184674 [1,1,0,0,0,0|0,0,2]=4 8183 B16R2.1293 C#CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000038162 [1,1,0,0,0,0|0,0,2]=4 8184 B16R2.1293 C=CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100015514636 [1,1,0,0,0,0|0,0,2]=4 8185 B16R2.1293 C=CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100015514636 [1,1,0,0,0,0|0,0,2]=4 8186 B16R2.1293 C=CCOc1ccc2cccc(c2c1)C 34a_200000091600_100015514636 [1,1,0,0,0,0|0,0,2]=4 8187 B16R2.1293 C=CCOc1ccc2cccc(c2c1)C 7a_200000091600_100015514636 [1,1,0,0,0,0|0,0,2]=4 8188 B16R2.1293 C=CCOc1ccc2cccc(c2c1)F 34a_100000091619_100015514636 [1,1,0,0,0,0|0,0,2]=4 8189 B16R2.1293 C=CCOc1ccc2cccc(c2c1)F 7a_100000091619_100015514636 [1,1,0,0,0,0|0,0,2]=4 8190 B16R2.1293 C=CCOc1ccc2cccc(c2c1)N 34a_100000034012_100015514636 [1,1,0,0,0,0|0,0,2]=4 8191 B16R2.1293 C=CCOc1ccc2cccc(c2c1)N 7a_100000034012_100015514636 [1,1,0,0,0,0|0,0,2]=4 8192 B16R2.1293 CCCCc1ccc2[nH]ccc(=O)c2c1 271570a_100020621405_100000746092 [1,1,0,0,0,0|1,0,0]=3 8193 B16R2.1293 CCCCc1ccc2cccc(c2c1)C 271570a_100020621405_100010089936 [1,1,0,0,0,0|0,0,0]=2 8194 B16R2.1293 CCCCc1ccc2cccc(c2c1)N 271570a_100020621405_100010090012 [1,1,0,0,0,0|0,0,0]=2 8195 B16R2.1293 CCCCc1ccc2cccc(c2c1)O 271570a_100020621405_100010089991 [1,1,0,0,0,0|0,0,0]=2 8196 B16R2.1293 CCCCc1ccc2cccc(c2n1)C 271570a_100020621405_100012002297 [1,1,0,0,0,0|1,0,0]=3 8197 B16R2.1293 CCCCc1ccc2cccc(c2n1)F 271570a_100020621405_100012017632 [1,1,0,0,0,0|1,0,0]=3 8198 B16R2.1293 CCCCc1ccc2cccc(c2n1)O 271570a_100020621405_100010153751 [1,1,0,0,0,0|1,0,0]=3 8199 B16R2.1293 CCCCc1ccc2ccnc(c2c1)C 271570a_100020621405_200010739692 [1,1,0,0,0,0|1,0,0]=3 8200 B16R2.1293 CCCCc1ccc2ccnc(c2c1)N 271570a_100020621405_100012352255 [1,1,0,0,0,0|1,0,0]=3 8201 B16R2.1293 CCCCc1ccc2ccnc(c2c1)O 271570a_100020621405_100000010956 [1,1,0,0,0,0|1,0,0]=3 8202 B16R2.1293 CCCCc1ccc2cn[nH]c(=O)c2c1 271570a_100020621405_100015864262 [1,1,0,0,0,0|2,0,0]=4 8203 B16R2.1293 CCCCc1ccc2cncc(c2c1)O 271570a_100020621405_100010136424 [1,1,0,0,0,0|1,0,0]=3 8204 B16R2.1293 CCCCc1ccc2nc[nH]c(=O)c2c1 271570a_100020621405_100000755678 [1,1,0,0,0,0|2,0,0]=4 8205 B16R2.1293 CCCCc1ccc2nccc(=O)n2c1 271570a_100020621405_100010178973 [1,1,0,0,0,0|2,0,0]=4 8206 B16R2.1293 CCCCc1ccc2nccc(c2c1)C 271570a_100020621405_100009817033 [1,1,0,0,0,0|1,0,0]=3 8207 B16R2.1293 CCCCc1ccc2nccc(c2c1)Cl 271570a_100020621405_100011310491 [1,1,0,0,0,0|1,0,0]=3 8208 B16R2.1293 CCCCc1ccc2nccc(c2c1)N 271570a_100020621405_100011620571 [1,1,0,0,0,0|1,0,0]=3 8209 B16R2.1293 CCCCc1ccc2ncnc(c2c1)C 271570a_100020621405_100000700471 [1,1,0,0,0,0|2,0,0]=4 8210 B16R2.1293 CCCCc1ccc2ncnc(c2c1)Cl 271570a_100020621405_100000757566 [1,1,0,0,0,0|2,0,0]=4 8211 B16R2.1293 CCCCc1ccc2ncnc(c2c1)N 271570a_100020621405_100011390335 [1,1,0,0,0,0|2,0,0]=4 8212 B16R2.1293 CCCCc1ccc2nncc(c2c1)O 271570a_100020621405_100010074700 [1,1,0,0,0,0|2,0,0]=4 8213 B16R2.1293 CCCCc1ccc2occc(=O)c2c1 271570a_100020621405_100009813387 [1,1,0,0,0,0|1,0,0]=3 8214 B16R2.1293 CCCCc1cnc2cc[nH]c(=O)c2c1 271570a_100020621405_100010134370 [1,1,0,0,0,0|2,0,0]=4 8215 B16R2.1293 CCCCc1cnc2cccc(c2c1)N 271570a_100020621405_100010264086 [1,1,0,0,0,0|1,0,0]=3 8216 B16R2.1293 CCCCc1cnc2cccc(c2c1)O 271570a_100020621405_200010153752 [1,1,0,0,0,0|1,0,0]=3 8217 B16R2.1293 CCCCc1ncc2cccc(c2n1)O 271570a_100020621405_100010674811 [1,1,0,0,0,0|2,0,0]=4 8218 B16R2.1293 CCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210303 [1,1,0,0,0,0|1,0,0]=3 8219 B16R2.1293 CCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210303 [1,1,0,0,0,0|2,0,0]=4 8220 B16R2.1293 CCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210303 [1,1,0,0,0,0|2,0,0]=4 8221 B16R2.1293 CCCNc1ccc2occc(=O)c2c1 34a_100000088200_100000210303 [1,1,0,0,0,0|2,0,0]=4 8222 B16R2.1293 CCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210303 [1,1,0,0,0,0|0,0,0]=2 8223 B16R2.1293 CCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210303 [1,1,0,0,0,0|0,0,0]=2 8224 B16R2.1293 CCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000210303 [1,1,0,0,0,0|0,0,0]=2 8225 B16R2.1293 CCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000210303 [1,1,0,0,0,0|0,0,0]=2 8226 B16R2.1293 CCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210303 [1,1,0,0,0,0|0,0,0]=2 8227 B16R2.1293 CCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210303 [1,1,0,0,0,0|0,0,0]=2 8228 B16R2.1293 CCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210303 [1,1,0,0,0,0|0,0,0]=2 8229 B16R2.1293 CCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210303 [1,1,0,0,0,0|0,0,0]=2 8230 B16R2.1293 CCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210303 [1,1,0,0,0,0|1,0,0]=3 8231 B16R2.1293 CCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210303 [1,1,0,0,0,0|1,0,0]=3 8232 B16R2.1293 CCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210303 [1,1,0,0,0,0|2,0,0]=4 8233 B16R2.1293 CCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210303 [1,1,0,0,0,0|1,0,0]=3 8234 B16R2.1293 CCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210303 [1,1,0,0,0,0|1,0,0]=3 8235 B16R2.1293 CCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210303 [1,1,0,0,0,0|1,0,0]=3 8236 B16R2.1293 CCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210303 [1,1,0,0,0,0|1,0,0]=3 8237 B16R2.1293 CCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210303_100000746092 [1,1,0,0,0,0|1,1,0]=4 8238 B16R2.1293 CCCSc1ccc2cccc(c2c1)C 62a_100000210303_100010089936 [1,1,0,0,0,0|0,1,0]=3 8239 B16R2.1293 CCCSc1ccc2cccc(c2c1)N 62a_100000210303_100010090012 [1,1,0,0,0,0|0,1,0]=3 8240 B16R2.1293 CCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210303 [1,1,0,0,0,0|0,1,0]=3 8241 B16R2.1293 CCCSc1ccc2cccc(c2c1)O 62a_100000210303_100010089991 [1,1,0,0,0,0|0,1,0]=3 8242 B16R2.1293 CCCSc1ccc2cccc(c2n1)C 62a_100000210303_100012002297 [1,1,0,0,0,0|1,1,0]=4 8243 B16R2.1293 CCCSc1ccc2cccc(c2n1)F 62a_100000210303_100012017632 [1,1,0,0,0,0|1,1,0]=4 8244 B16R2.1293 CCCSc1ccc2cccc(c2n1)O 62a_100000210303_100000013812 [1,1,0,0,0,0|1,1,0]=4 8245 B16R2.1293 CCCSc1ccc2ccnc(c2c1)C 62a_100000210303_200010739692 [1,1,0,0,0,0|1,1,0]=4 8246 B16R2.1293 CCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000210303 [1,1,0,0,0,0|1,1,0]=4 8247 B16R2.1293 CCCSc1ccc2ccnc(c2c1)N 62a_100000210303_100012352255 [1,1,0,0,0,0|1,1,0]=4 8248 B16R2.1293 CCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000210303 [1,1,0,0,0,0|1,1,0]=4 8249 B16R2.1293 CCCSc1ccc2ccnc(c2c1)O 62a_100000210303_100000010956 [1,1,0,0,0,0|1,1,0]=4 8250 B16R2.1293 CCCSc1ccc2cncc(c2c1)O 62a_100000210303_100010136424 [1,1,0,0,0,0|1,1,0]=4 8251 B16R2.1293 CCCSc1ccc2nccc(c2c1)C 62a_100000210303_100009817033 [1,1,0,0,0,0|1,1,0]=4 8252 B16R2.1293 CCCSc1ccc2nccc(c2c1)C 62a_100009817033_100000210303 [1,1,0,0,0,0|1,1,0]=4 8253 B16R2.1293 CCCSc1ccc2nccc(c2c1)Cl 62a_100000210303_100011310491 [1,1,0,0,0,0|1,1,0]=4 8254 B16R2.1293 CCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210303 [1,1,0,0,0,0|1,1,0]=4 8255 B16R2.1293 CCCSc1ccc2nccc(c2c1)N 62a_100000210303_100011620571 [1,1,0,0,0,0|1,1,0]=4 8256 B16R2.1293 CCCSc1ccc2nccc(c2c1)N 62a_100011620571_100000210303 [1,1,0,0,0,0|1,1,0]=4 8257 B16R2.1293 CCCSc1ccc2occc(=O)c2c1 62a_100000210303_100009813387 [1,1,0,0,0,0|1,1,0]=4 8258 B16R2.1293 CCCSc1cnc2cccc(c2c1)N 62a_100000210303_100010264086 [1,1,0,0,0,0|1,1,0]=4 8259 B16R2.1293 CCCSc1cnc2cccc(c2c1)N 62a_100010264086_100000210303 [1,1,0,0,0,0|1,1,0]=4 8260 B16R2.1293 CCCSc1cnc2cccc(c2c1)O 62a_100000210303_200010153752 [1,1,0,0,0,0|1,1,0]=4 8261 B16R2.1293 CCNCc1ccc2cccc(c2n1)Cl 207a_100015525214_200000068262 [1,1,0,0,0,0|2,0,0]=4 8262 B16R2.1293 CCNCc1ccc2cccc(c2n1)Cl 270004a_100015525214_200000068262 [1,1,0,0,0,0|2,0,0]=4 8263 B16R2.1293 CCNCc1ccc2cccc(c2n1)F 207a_100015525214_100000068176 [1,1,0,0,0,0|2,0,0]=4 8264 B16R2.1293 CCNCc1ccc2cccc(c2n1)F 270004a_100015525214_100000068176 [1,1,0,0,0,0|2,0,0]=4 8265 B16R2.1293 CCNCc1ccc2ccnc(c2c1)Cl 207a_100015525214_100000094387 [1,1,0,0,0,0|2,0,0]=4 8266 B16R2.1293 COCSc1ccc2cccc(c2c1)C 62a_100000766300_100010089936 [1,1,0,0,0,0|1,1,0]=4 8267 B16R2.1293 COCSc1ccc2cccc(c2c1)N 62a_100000766300_100010090012 [1,1,0,0,0,0|1,1,0]=4 8268 B16R2.1293 COCSc1ccc2cccc(c2c1)N 62a_100010090012_100000766300 [1,1,0,0,0,0|1,1,0]=4 8269 B16R2.1293 COCSc1ccc2cccc(c2c1)O 62a_100000766300_100010089991 [1,1,0,0,0,0|1,1,0]=4 8270 B16R2.1293 CSCNc1ccc2cccc(c2c1)O 34a_100132313934_100011218213 [1,1,0,0,0,0|2,0,0]=4 8271 B16R2.1293 CSCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011218213 [1,1,0,0,0,0|1,0,0]=3 8272 B16R2.1293 CSCOc1ccc2cccc(c2c1)C 34a_200000091600_100011218213 [1,1,0,0,0,0|1,0,0]=3 8273 B16R2.1293 CSCOc1ccc2cccc(c2c1)F 34a_100000091619_100011218213 [1,1,0,0,0,0|1,0,0]=3 8274 B16R2.1293 CSCOc1ccc2cccc(c2c1)N 34a_100000034012_100011218213 [1,1,0,0,0,0|1,0,0]=3 8275 B16R2.1293 CSCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011218213 [1,1,0,0,0,0|2,0,0]=4 8276 B16R2.1293 CSCOc1ccc2nccc(c2c1)Br 34a_100010204251_100011218213 [1,1,0,0,0,0|2,0,0]=4 8277 B16R2.1293 CSCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100011218213 [1,1,0,0,0,0|2,0,0]=4 8278 B16R2.1293 CSCSc1ccc2cccc(c2c1)C 62a_100011218213_100010089936 [1,1,0,0,0,0|1,1,0]=4 8279 B16R2.1293 CSCSc1ccc2cccc(c2c1)N 62a_100010090012_100011218213 [1,1,0,0,0,0|1,1,0]=4 8280 B16R2.1293 CSCSc1ccc2cccc(c2c1)N 62a_100011218213_100010090012 [1,1,0,0,0,0|1,1,0]=4 8281 B16R2.1293 CSCSc1ccc2cccc(c2c1)O 62a_100011218213_100010089991 [1,1,0,0,0,0|1,1,0]=4 8282 B16R2.1293 Cc1cccc2c1cc(cc2)OCC#N 7a_200000091600_100011215382 [1,1,0,0,0,0|1,0,1]=4 8283 B16R2.1293 Cc1cccc2c1cc(cc2)OCC=O 34a_200000091600_200009817547 [1,1,0,0,0,0|1,0,1]=4 8284 B16R2.1293 Cc1cccc2c1cc(cc2)OCC=O 7a_200000091600_200015260668 [1,1,0,0,0,0|1,0,1]=4 8285 B16R2.1293 Cc1cccc2c1cc(cc2)OCCF 34a_200000091600_100011217306 [1,1,0,0,0,0|1,0,0]=3 8286 B16R2.1293 Cc1cccc2c1cc(cc2)OCCF 7a_200000091600_100011217306 [1,1,0,0,0,0|1,0,0]=3 8287 B16R2.1293 Cc1cccc2c1cc(cc2)OCCO 34a_200000091600_100000211926 [1,1,0,0,0,0|1,0,0]=3 8288 B16R2.1293 Cc1cccc2c1cc(cc2)OCCO 7a_200000091600_100000211926 [1,1,0,0,0,0|1,0,0]=3 8289 B16R2.1293 Cc1cccc2c1cc(cc2)SCCF 62a_100011217306_100010089936 [1,1,0,0,0,0|1,1,0]=4 8290 B16R2.1293 Cc1cccc2c1cc(cc2)SCCO 62a_100000211926_100010089936 [1,1,0,0,0,0|1,1,0]=4 8291 B16R2.1293 FCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011217306 [1,1,0,0,0,0|1,0,0]=3 8292 B16R2.1293 FCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011217306 [1,1,0,0,0,0|1,0,0]=3 8293 B16R2.1293 FCCOc1ccc2cccc(c2c1)F 34a_100000091619_100011217306 [1,1,0,0,0,0|1,0,0]=3 8294 B16R2.1293 FCCOc1ccc2cccc(c2c1)F 7a_100000091619_100011217306 [1,1,0,0,0,0|1,0,0]=3 8295 B16R2.1293 FCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011217306 [1,1,0,0,0,0|2,0,0]=4 8296 B16R2.1293 FCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011217306 [1,1,0,0,0,0|2,0,0]=4 8297 B16R2.1293 FCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100011217306 [1,1,0,0,0,0|2,0,0]=4 8298 B16R2.1293 FCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100011217306 [1,1,0,0,0,0|2,0,0]=4 8299 B16R2.1293 FCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100011217306 [1,1,0,0,0,0|2,0,0]=4 8300 B16R2.1293 FCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100011217306 [1,1,0,0,0,0|2,0,0]=4 8301 B16R2.1293 N#CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011215382 [1,1,0,0,0,0|1,0,1]=4 8302 B16R2.1293 N#CCOc1ccc2cccc(c2c1)F 7a_100000091619_100011215382 [1,1,0,0,0,0|1,0,1]=4 8303 B16R2.1293 N#CCOc1ccc2cccc(c2c1)N 7a_100000034012_100011215382 [1,1,0,0,0,0|1,0,1]=4 8304 B16R2.1293 Nc1cccc2c1cc(cc2)OCC=O 34a_100000034012_200009817547 [1,1,0,0,0,0|1,0,1]=4 8305 B16R2.1293 Nc1cccc2c1cc(cc2)OCC=O 7a_100000034012_200015260668 [1,1,0,0,0,0|1,0,1]=4 8306 B16R2.1293 Nc1cccc2c1cc(cc2)OCCF 34a_100000034012_100011217306 [1,1,0,0,0,0|1,0,0]=3 8307 B16R2.1293 Nc1cccc2c1cc(cc2)OCCF 7a_100000034012_100011217306 [1,1,0,0,0,0|1,0,0]=3 8308 B16R2.1293 Nc1cccc2c1cc(cc2)OCCO 34a_100000034012_100000211926 [1,1,0,0,0,0|1,0,0]=3 8309 B16R2.1293 Nc1cccc2c1cc(cc2)OCCO 7a_100000034012_100000211926 [1,1,0,0,0,0|1,0,0]=3 8310 B16R2.1293 Nc1cccc2c1cc(cc2)SCCF 62a_100010090012_100011217306 [1,1,0,0,0,0|1,1,0]=4 8311 B16R2.1293 Nc1cccc2c1cc(cc2)SCCF 62a_100011217306_100010090012 [1,1,0,0,0,0|1,1,0]=4 8312 B16R2.1293 Nc1cccc2c1cc(cc2)SCCO 62a_100000211926_100010090012 [1,1,0,0,0,0|1,1,0]=4 8313 B16R2.1293 Nc1cccc2c1cc(cc2)SCCO 62a_100010090012_100000211926 [1,1,0,0,0,0|1,1,0]=4 8314 B16R2.1293 O=CCOc1ccc2cccc(c2c1)Br 34a_100010169565_200009817547 [1,1,0,0,0,0|1,0,1]=4 8315 B16R2.1293 O=CCOc1ccc2cccc(c2c1)Br 7a_100010169565_200015260668 [1,1,0,0,0,0|1,0,1]=4 8316 B16R2.1293 O=CCOc1ccc2cccc(c2c1)F 34a_100000091619_200009817547 [1,1,0,0,0,0|1,0,1]=4 8317 B16R2.1293 O=CCOc1ccc2cccc(c2c1)F 7a_100000091619_200015260668 [1,1,0,0,0,0|1,0,1]=4 8318 B16R2.1293 OCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000211926 [1,1,0,0,0,0|2,0,0]=4 8319 B16R2.1293 OCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000211926 [1,1,0,0,0,0|1,0,0]=3 8320 B16R2.1293 OCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000211926 [1,1,0,0,0,0|1,0,0]=3 8321 B16R2.1293 OCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000211926 [1,1,0,0,0,0|1,0,0]=3 8322 B16R2.1293 OCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000211926 [1,1,0,0,0,0|1,0,0]=3 8323 B16R2.1293 OCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000211926 [1,1,0,0,0,0|2,0,0]=4 8324 B16R2.1293 OCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000211926 [1,1,0,0,0,0|2,0,0]=4 8325 B16R2.1293 OCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000211926 [1,1,0,0,0,0|2,0,0]=4 8326 B16R2.1293 OCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000211926 [1,1,0,0,0,0|2,0,0]=4 8327 B16R2.1293 OCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000211926 [1,1,0,0,0,0|2,0,0]=4 8328 B16R2.1293 OCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000211926 [1,1,0,0,0,0|2,0,0]=4 8329 B16R2.1293 OCCSc1ccc2cccc(c2c1)O 62a_100000211926_100010089991 [1,1,0,0,0,0|1,1,0]=4 8330 B16R2.1293 Oc1cccc2c1cc(cc2)NCCF 34a_100132313934_100011217306 [1,1,0,0,0,0|2,0,0]=4 8331 B16R2.1293 Oc1cccc2c1cc(cc2)SCCF 62a_100011217306_100010089991 [1,1,0,0,0,0|1,1,0]=4 8332 B16R2.2942 C#CCOc1ccc2ccccc2c1Br 34a_100000183829_100000184674 [1,1,0,0,0,0|0,0,2]=4 8333 B16R2.2942 C#CCOc1ccc2ccccc2c1Br 7a_100000183829_100000038162 [1,1,0,0,0,0|0,0,2]=4 8334 B16R2.2942 C#CCOc1ccc2ccccc2c1C 34a_100009830054_100000184674 [1,1,0,0,0,0|0,0,2]=4 8335 B16R2.2942 C#CCOc1ccc2ccccc2c1C 7a_100009830054_100000038162 [1,1,0,0,0,0|0,0,2]=4 8336 B16R2.2942 C#CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000184674 [1,1,0,0,0,0|0,0,2]=4 8337 B16R2.2942 C#CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000038162 [1,1,0,0,0,0|0,0,2]=4 8338 B16R2.2942 C#CCOc1ccc2ccccc2c1I 34a_100000041551_100000184674 [1,1,0,0,0,0|0,0,2]=4 8339 B16R2.2942 C#CCOc1ccc2ccccc2c1I 7a_100000041551_100000038162 [1,1,0,0,0,0|0,0,2]=4 8340 B16R2.2942 C#CCOc1ccc2ccccc2c1N 34a_100000007056_100000184674 [1,1,0,0,0,0|0,0,2]=4 8341 B16R2.2942 C#CCOc1ccc2ccccc2c1N 7a_100000007056_100000038162 [1,1,0,0,0,0|0,0,2]=4 8342 B16R2.2942 C=CCOc1ccc2ccccc2c1Br 34a_100000183829_100015514636 [1,1,0,0,0,0|0,0,2]=4 8343 B16R2.2942 C=CCOc1ccc2ccccc2c1Br 7a_100000183829_100015514636 [1,1,0,0,0,0|0,0,2]=4 8344 B16R2.2942 C=CCOc1ccc2ccccc2c1C 34a_100009830054_100015514636 [1,1,0,0,0,0|0,0,2]=4 8345 B16R2.2942 C=CCOc1ccc2ccccc2c1C 7a_100009830054_100015514636 [1,1,0,0,0,0|0,0,2]=4 8346 B16R2.2942 C=CCOc1ccc2ccccc2c1Cl 34a_100000029778_100015514636 [1,1,0,0,0,0|0,0,2]=4 8347 B16R2.2942 C=CCOc1ccc2ccccc2c1Cl 7a_100000029778_100015514636 [1,1,0,0,0,0|0,0,2]=4 8348 B16R2.2942 C=CCOc1ccc2ccccc2c1I 34a_100000041551_100015514636 [1,1,0,0,0,0|0,0,2]=4 8349 B16R2.2942 C=CCOc1ccc2ccccc2c1I 7a_100000041551_100015514636 [1,1,0,0,0,0|0,0,2]=4 8350 B16R2.2942 C=CCOc1ccc2ccccc2c1N 34a_100000007056_100015514636 [1,1,0,0,0,0|0,0,2]=4 8351 B16R2.2942 C=CCOc1ccc2ccccc2c1N 7a_100000007056_100015514636 [1,1,0,0,0,0|0,0,2]=4 8352 B16R2.2942 CCCCc1c[nH]c2ccccc2c1=O 271570a_100020621405_100012339567 [1,1,0,0,0,0|1,0,0]=3 8353 B16R2.2942 CCCCc1ccc2ccccc2c1Br 271570a_100020621405_200010089984 [1,1,0,0,0,0|0,0,0]=2 8354 B16R2.2942 CCCCc1ccc2ccccc2c1C 271570a_100020621405_100010221197 [1,1,0,0,0,0|0,0,0]=2 8355 B16R2.2942 CCCCc1ccc2ccccc2c1F 271570a_100020621405_100009832041 [1,1,0,0,0,0|0,0,0]=2 8356 B16R2.2942 CCCCc1ccc2ccccc2c1N 271570a_100020621405_100009817101 [1,1,0,0,0,0|0,0,0]=2 8357 B16R2.2942 CCCCc1ccc2ccccc2c1O 271570a_100020621405_100009996032 [1,1,0,0,0,0|0,0,0]=2 8358 B16R2.2942 CCCCc1ccc2cccnc2c1C 271570a_100020621405_100010214467 [1,1,0,0,0,0|1,0,0]=3 8359 B16R2.2942 CCCCc1ccc2cccnc2c1F 271570a_100020621405_100010751467 [1,1,0,0,0,0|1,0,0]=3 8360 B16R2.2942 CCCCc1ccc2cccnc2c1O 271570a_100020621405_100009816563 [1,1,0,0,0,0|1,0,0]=3 8361 B16R2.2942 CCCCc1ccc2cnccc2c1N 271570a_100020621405_100010191621 [1,1,0,0,0,0|1,0,0]=3 8362 B16R2.2942 CCCCc1ccc2ncccc2c1C 271570a_100020621405_200010137439 [1,1,0,0,0,0|1,0,0]=3 8363 B16R2.2942 CCCCc1ccc2ncccc2c1N 271570a_100020621405_200010235790 [1,1,0,0,0,0|1,0,0]=3 8364 B16R2.2942 CCCCc1ccc2nccnc2c1C 271570a_100020621405_100135414757 [1,1,0,0,0,0|2,0,0]=4 8365 B16R2.2942 CCCCc1cnc2ccccc2c1Cl 271570a_100020621405_100012352519 [1,1,0,0,0,0|1,0,0]=3 8366 B16R2.2942 CCCCc1cnc2ccccc2c1N 271570a_100020621405_100009995562 [1,1,0,0,0,0|1,0,0]=3 8367 B16R2.2942 CCCCc1coc2ccccc2c1=O 271570a_100020621405_100009813851 [1,1,0,0,0,0|1,0,0]=3 8368 B16R2.2942 CCCCc1ncc2ccccc2c1N 271570a_100020621405_100000087573 [1,1,0,0,0,0|1,0,0]=3 8369 B16R2.2942 CCCCc1nnc2ccccc2c1O 271570a_100020621405_100000688347 [1,1,0,0,0,0|2,0,0]=4 8370 B16R2.2942 CCCNc1ccc2ccccc2c1Br 34a_100000705303_100000210303 [1,1,0,0,0,0|1,0,0]=3 8371 B16R2.2942 CCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210303 [1,1,0,0,0,0|1,0,0]=3 8372 B16R2.2942 CCCNc1ccc2ccccc2c1O 34a_100000007060_100000210303 [1,1,0,0,0,0|1,0,0]=3 8373 B16R2.2942 CCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000210303 [1,1,0,0,0,0|2,0,0]=4 8374 B16R2.2942 CCCNc1ccc2ncccc2c1Br 34a_200009995563_100000210303 [1,1,0,0,0,0|2,0,0]=4 8375 B16R2.2942 CCCOc1ccc2ccccc2c1Br 34a_100000183829_100000210303 [1,1,0,0,0,0|0,0,0]=2 8376 B16R2.2942 CCCOc1ccc2ccccc2c1Br 7a_100000183829_100000210303 [1,1,0,0,0,0|0,0,0]=2 8377 B16R2.2942 CCCOc1ccc2ccccc2c1C 34a_100009830054_100000210303 [1,1,0,0,0,0|0,0,0]=2 8378 B16R2.2942 CCCOc1ccc2ccccc2c1C 7a_100009830054_100000210303 [1,1,0,0,0,0|0,0,0]=2 8379 B16R2.2942 CCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210303 [1,1,0,0,0,0|0,0,0]=2 8380 B16R2.2942 CCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210303 [1,1,0,0,0,0|0,0,0]=2 8381 B16R2.2942 CCCOc1ccc2ccccc2c1I 34a_100000041551_100000210303 [1,1,0,0,0,0|0,0,0]=2 8382 B16R2.2942 CCCOc1ccc2ccccc2c1I 7a_100000041551_100000210303 [1,1,0,0,0,0|0,0,0]=2 8383 B16R2.2942 CCCOc1ccc2ccccc2c1N 34a_100000007056_100000210303 [1,1,0,0,0,0|0,0,0]=2 8384 B16R2.2942 CCCOc1ccc2ccccc2c1N 7a_100000007056_100000210303 [1,1,0,0,0,0|0,0,0]=2 8385 B16R2.2942 CCCOc1ccc2cccnc2c1Br 34a_100010173343_100000210303 [1,1,0,0,0,0|1,0,0]=3 8386 B16R2.2942 CCCOc1ccc2cccnc2c1Br 7a_100010173343_100000210303 [1,1,0,0,0,0|1,0,0]=3 8387 B16R2.2942 CCCOc1ccc2ccncc2c1Br 34a_200010115057_100000210303 [1,1,0,0,0,0|1,0,0]=3 8388 B16R2.2942 CCCOc1ccc2ccncc2c1Br 7a_200010115057_100000210303 [1,1,0,0,0,0|1,0,0]=3 8389 B16R2.2942 CCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210303 [1,1,0,0,0,0|1,0,0]=3 8390 B16R2.2942 CCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210303 [1,1,0,0,0,0|1,0,0]=3 8391 B16R2.2942 CCCSc1c[nH]c2ccccc2c1=O 62a_100000210303_100012348052 [1,1,0,0,0,0|1,1,0]=4 8392 B16R2.2942 CCCSc1ccc2ccccc2c1C 62a_100000210303_100010221197 [1,1,0,0,0,0|0,1,0]=3 8393 B16R2.2942 CCCSc1ccc2ccccc2c1C 62a_100010221197_100000210303 [1,1,0,0,0,0|0,1,0]=3 8394 B16R2.2942 CCCSc1ccc2ccccc2c1F 62a_100000210303_100009832041 [1,1,0,0,0,0|0,1,0]=3 8395 B16R2.2942 CCCSc1ccc2ccccc2c1F 62a_100009832041_100000210303 [1,1,0,0,0,0|0,1,0]=3 8396 B16R2.2942 CCCSc1ccc2ccccc2c1N 62a_100009817101_100000210303 [1,1,0,0,0,0|0,1,0]=3 8397 B16R2.2942 CCCSc1ccc2ccccc2c1O 62a_100000210303_100009996032 [1,1,0,0,0,0|0,1,0]=3 8398 B16R2.2942 CCCSc1ccc2cccnc2c1C 62a_100000210303_100010214467 [1,1,0,0,0,0|1,1,0]=4 8399 B16R2.2942 CCCSc1ccc2cccnc2c1F 62a_100000210303_100010751467 [1,1,0,0,0,0|1,1,0]=4 8400 B16R2.2942 CCCSc1ccc2cccnc2c1F 62a_100010751467_100000210303 [1,1,0,0,0,0|1,1,0]=4 8401 B16R2.2942 CCCSc1ccc2cccnc2c1O 62a_100000210303_100009816563 [1,1,0,0,0,0|1,1,0]=4 8402 B16R2.2942 CCCSc1ccc2cnccc2c1N 62a_100000210303_100010191621 [1,1,0,0,0,0|1,1,0]=4 8403 B16R2.2942 CCCSc1ccc2cnccc2c1N 62a_100010191621_100000210303 [1,1,0,0,0,0|1,1,0]=4 8404 B16R2.2942 CCCSc1ccc2ncccc2c1C 62a_100000210303_200010137439 [1,1,0,0,0,0|1,1,0]=4 8405 B16R2.2942 CCCSc1ccc2ncccc2c1C 62a_200010137439_100000210303 [1,1,0,0,0,0|1,1,0]=4 8406 B16R2.2942 CCCSc1ccc2ncccc2c1N 62a_200010235790_100000210303 [1,1,0,0,0,0|1,1,0]=4 8407 B16R2.2942 CCCSc1cnc2ccccc2c1Cl 62a_100000210303_100012352519 [1,1,0,0,0,0|1,1,0]=4 8408 B16R2.2942 CCCSc1cnc2ccccc2c1N 62a_100000210303_100009995562 [1,1,0,0,0,0|1,1,0]=4 8409 B16R2.2942 CCCSc1cnc2ccccc2c1N 62a_100009995562_100000210303 [1,1,0,0,0,0|1,1,0]=4 8410 B16R2.2942 CCCSc1coc2ccccc2c1=O 62a_100000210303_100009813851 [1,1,0,0,0,0|1,1,0]=4 8411 B16R2.2942 CCCSc1ncc2ccccc2c1N 62a_100000210303_100000087573 [1,1,0,0,0,0|1,1,0]=4 8412 B16R2.2942 CCCSc1ncc2ccccc2c1N 62a_100009995564_100000210303 [1,1,0,0,0,0|1,1,0]=4 8413 B16R2.2942 CCNCc1ccc2ccccc2c1Br 207a_100015525214_100009813496 [1,1,0,0,0,0|1,0,0]=3 8414 B16R2.2942 CCNCc1ccc2ccccc2c1Br 2230a_100015525214_100009813938 [1,1,0,0,0,0|1,0,0]=3 8415 B16R2.2942 CCNCc1ccc2ccccc2c1Br 270004a_100015525214_100009813496 [1,1,0,0,0,0|1,0,0]=3 8416 B16R2.2942 CCNCc1cnc2ccccc2c1Cl 270004a_100015525214_100000037458 [1,1,0,0,0,0|2,0,0]=4 8417 B16R2.2942 CCNCc1coc2ccccc2c1=O 270004a_100015525214_100000195500 [1,1,0,0,0,0|2,0,0]=4 8418 B16R2.2942 CCOCc1ccc2ccccc2c1Br 34a_100121572206_100009813938 [1,1,0,0,0,0|1,0,0]=3 8419 B16R2.2942 CCSCc1ccc2ccccc2c1Br 62a_100000210202_100009813938 [1,1,0,0,0,0|1,0,0]=3 8420 B16R2.2942 CCSCc1ccc2ccccc2c1Br 62a_100009813938_100000210202 [1,1,0,0,0,0|1,0,0]=3 8421 B16R2.2942 COCSc1ccc2ccccc2c1Br 62a_100000766300_200010089984 [1,1,0,0,0,0|1,1,0]=4 8422 B16R2.2942 COCSc1ccc2ccccc2c1Br 62a_200010089984_100000766300 [1,1,0,0,0,0|1,1,0]=4 8423 B16R2.2942 COCSc1ccc2ccccc2c1C 62a_100000766300_100010221197 [1,1,0,0,0,0|1,1,0]=4 8424 B16R2.2942 COCSc1ccc2ccccc2c1C 62a_100010221197_100000766300 [1,1,0,0,0,0|1,1,0]=4 8425 B16R2.2942 COCSc1ccc2ccccc2c1F 62a_100000766300_100009832041 [1,1,0,0,0,0|1,1,0]=4 8426 B16R2.2942 COCSc1ccc2ccccc2c1F 62a_100009832041_100000766300 [1,1,0,0,0,0|1,1,0]=4 8427 B16R2.2942 COCSc1ccc2ccccc2c1N 62a_100009817101_100000766300 [1,1,0,0,0,0|1,1,0]=4 8428 B16R2.2942 COCSc1ccc2ccccc2c1O 62a_100000766300_100009996032 [1,1,0,0,0,0|1,1,0]=4 8429 B16R2.2942 CSCNc1ccc2ccccc2c1Br 34a_100000705303_100011218213 [1,1,0,0,0,0|2,0,0]=4 8430 B16R2.2942 CSCNc1ccc2ccccc2c1Cl 34a_100000075557_100011218213 [1,1,0,0,0,0|2,0,0]=4 8431 B16R2.2942 CSCNc1ccc2ccccc2c1O 34a_100000007060_100011218213 [1,1,0,0,0,0|2,0,0]=4 8432 B16R2.2942 CSCOc1ccc2ccccc2c1Br 34a_100000183829_100011218213 [1,1,0,0,0,0|1,0,0]=3 8433 B16R2.2942 CSCOc1ccc2ccccc2c1C 34a_100009830054_100011218213 [1,1,0,0,0,0|1,0,0]=3 8434 B16R2.2942 CSCOc1ccc2ccccc2c1Cl 34a_100000029778_100011218213 [1,1,0,0,0,0|1,0,0]=3 8435 B16R2.2942 CSCOc1ccc2ccccc2c1I 34a_100000041551_100011218213 [1,1,0,0,0,0|1,0,0]=3 8436 B16R2.2942 CSCOc1ccc2ccccc2c1N 34a_100000007056_100011218213 [1,1,0,0,0,0|1,0,0]=3 8437 B16R2.2942 CSCOc1ccc2cccnc2c1Br 34a_100010173343_100011218213 [1,1,0,0,0,0|2,0,0]=4 8438 B16R2.2942 CSCOc1ccc2ccncc2c1Br 34a_200010115057_100011218213 [1,1,0,0,0,0|2,0,0]=4 8439 B16R2.2942 CSCOc1ccc2cnccc2c1Cl 34a_100009824633_100011218213 [1,1,0,0,0,0|2,0,0]=4 8440 B16R2.2942 CSCSc1ccc2ccccc2c1C 62a_100010221197_100011218213 [1,1,0,0,0,0|1,1,0]=4 8441 B16R2.2942 CSCSc1ccc2ccccc2c1C 62a_100011218213_100010221197 [1,1,0,0,0,0|1,1,0]=4 8442 B16R2.2942 CSCSc1ccc2ccccc2c1F 62a_100009832041_100011218213 [1,1,0,0,0,0|1,1,0]=4 8443 B16R2.2942 CSCSc1ccc2ccccc2c1F 62a_100011218213_100009832041 [1,1,0,0,0,0|1,1,0]=4 8444 B16R2.2942 CSCSc1ccc2ccccc2c1N 62a_100009817101_100011218213 [1,1,0,0,0,0|1,1,0]=4 8445 B16R2.2942 CSCSc1ccc2ccccc2c1O 62a_100011218213_100009996032 [1,1,0,0,0,0|1,1,0]=4 8446 B16R2.2942 Cc1c(ccc2c1cccc2)OCC#N 7a_100009830054_100011215382 [1,1,0,0,0,0|1,0,1]=4 8447 B16R2.2942 Cc1c(ccc2c1cccc2)OCC=O 34a_100009830054_200009817547 [1,1,0,0,0,0|1,0,1]=4 8448 B16R2.2942 Cc1c(ccc2c1cccc2)OCC=O 7a_100009830054_200015260668 [1,1,0,0,0,0|1,0,1]=4 8449 B16R2.2942 Cc1c(ccc2c1cccc2)OCCF 34a_100009830054_100011217306 [1,1,0,0,0,0|1,0,0]=3 8450 B16R2.2942 Cc1c(ccc2c1cccc2)OCCF 7a_100009830054_100011217306 [1,1,0,0,0,0|1,0,0]=3 8451 B16R2.2942 Cc1c(ccc2c1cccc2)OCCO 34a_100009830054_100000211926 [1,1,0,0,0,0|1,0,0]=3 8452 B16R2.2942 Cc1c(ccc2c1cccc2)OCCO 7a_100009830054_100000211926 [1,1,0,0,0,0|1,0,0]=3 8453 B16R2.2942 Cc1c(ccc2c1cccc2)SCCF 62a_100010221197_100011217306 [1,1,0,0,0,0|1,1,0]=4 8454 B16R2.2942 Cc1c(ccc2c1cccc2)SCCF 62a_100011217306_100010221197 [1,1,0,0,0,0|1,1,0]=4 8455 B16R2.2942 Cc1c(ccc2c1cccc2)SCCO 62a_100000211926_100010221197 [1,1,0,0,0,0|1,1,0]=4 8456 B16R2.2942 Cc1c(ccc2c1cccc2)SCCO 62a_100010221197_100000211926 [1,1,0,0,0,0|1,1,0]=4 8457 B16R2.2942 FCCNc1ccc2ccccc2c1Br 34a_100000705303_100011217306 [1,1,0,0,0,0|2,0,0]=4 8458 B16R2.2942 FCCNc1ccc2ccccc2c1Cl 34a_100000075557_100011217306 [1,1,0,0,0,0|2,0,0]=4 8459 B16R2.2942 FCCOc1ccc2ccccc2c1Br 34a_100000183829_100011217306 [1,1,0,0,0,0|1,0,0]=3 8460 B16R2.2942 FCCOc1ccc2ccccc2c1Br 7a_100000183829_100011217306 [1,1,0,0,0,0|1,0,0]=3 8461 B16R2.2942 FCCOc1ccc2ccccc2c1Cl 34a_100000029778_100011217306 [1,1,0,0,0,0|1,0,0]=3 8462 B16R2.2942 FCCOc1ccc2ccccc2c1Cl 7a_100000029778_100011217306 [1,1,0,0,0,0|1,0,0]=3 8463 B16R2.2942 FCCOc1ccc2ccccc2c1I 34a_100000041551_100011217306 [1,1,0,0,0,0|1,0,0]=3 8464 B16R2.2942 FCCOc1ccc2ccccc2c1I 7a_100000041551_100011217306 [1,1,0,0,0,0|1,0,0]=3 8465 B16R2.2942 FCCOc1ccc2cccnc2c1Br 34a_100010173343_100011217306 [1,1,0,0,0,0|2,0,0]=4 8466 B16R2.2942 FCCOc1ccc2cccnc2c1Br 7a_100010173343_100011217306 [1,1,0,0,0,0|2,0,0]=4 8467 B16R2.2942 FCCOc1ccc2ccncc2c1Br 34a_200010115057_100011217306 [1,1,0,0,0,0|2,0,0]=4 8468 B16R2.2942 FCCOc1ccc2ccncc2c1Br 7a_200010115057_100011217306 [1,1,0,0,0,0|2,0,0]=4 8469 B16R2.2942 FCCOc1ccc2cnccc2c1Cl 34a_100009824633_100011217306 [1,1,0,0,0,0|2,0,0]=4 8470 B16R2.2942 FCCOc1ccc2cnccc2c1Cl 7a_100009824633_100011217306 [1,1,0,0,0,0|2,0,0]=4 8471 B16R2.2942 FCCSc1ccc2ccccc2c1Br 62a_100011217306_200010089984 [1,1,0,0,0,0|1,1,0]=4 8472 B16R2.2942 FCCSc1ccc2ccccc2c1Br 62a_200010089984_100011217306 [1,1,0,0,0,0|1,1,0]=4 8473 B16R2.2942 FCCSc1ccc2ccccc2c1F 62a_100009832041_100011217306 [1,1,0,0,0,0|1,1,0]=4 8474 B16R2.2942 FCCSc1ccc2ccccc2c1F 62a_100011217306_100009832041 [1,1,0,0,0,0|1,1,0]=4 8475 B16R2.2942 FCSCc1ccc2ccccc2c1Br 62a_100009813938_100015361967 [1,1,0,0,0,0|2,0,0]=4 8476 B16R2.2942 FCSCc1ccc2ccccc2c1Br 62a_100015361967_100009813938 [1,1,0,0,0,0|2,0,0]=4 8477 B16R2.2942 N#CCOc1ccc2ccccc2c1Br 7a_100000183829_100011215382 [1,1,0,0,0,0|1,0,1]=4 8478 B16R2.2942 N#CCOc1ccc2ccccc2c1Cl 7a_100000029778_100011215382 [1,1,0,0,0,0|1,0,1]=4 8479 B16R2.2942 N#CCOc1ccc2ccccc2c1I 7a_100000041551_100011215382 [1,1,0,0,0,0|1,0,1]=4 8480 B16R2.2942 N#CCOc1ccc2ccccc2c1N 7a_100000007056_100011215382 [1,1,0,0,0,0|1,0,1]=4 8481 B16R2.2942 Nc1c(ccc2c1cccc2)OCC=O 34a_100000007056_200009817547 [1,1,0,0,0,0|1,0,1]=4 8482 B16R2.2942 Nc1c(ccc2c1cccc2)OCC=O 7a_100000007056_200015260668 [1,1,0,0,0,0|1,0,1]=4 8483 B16R2.2942 Nc1c(ccc2c1cccc2)OCCF 34a_100000007056_100011217306 [1,1,0,0,0,0|1,0,0]=3 8484 B16R2.2942 Nc1c(ccc2c1cccc2)OCCF 7a_100000007056_100011217306 [1,1,0,0,0,0|1,0,0]=3 8485 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 34a_100000007056_100000211926 [1,1,0,0,0,0|1,0,0]=3 8486 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 7a_100000007056_100000211926 [1,1,0,0,0,0|1,0,0]=3 8487 B16R2.2942 Nc1c(ccc2c1cccc2)SCCF 62a_100009817101_100011217306 [1,1,0,0,0,0|1,1,0]=4 8488 B16R2.2942 Nc1c(ccc2c1cccc2)SCCO 62a_100009817101_100000211926 [1,1,0,0,0,0|1,1,0]=4 8489 B16R2.2942 O=CCOc1ccc2ccccc2c1Br 34a_100000183829_200009817547 [1,1,0,0,0,0|1,0,1]=4 8490 B16R2.2942 O=CCOc1ccc2ccccc2c1Br 7a_100000183829_200015260668 [1,1,0,0,0,0|1,0,1]=4 8491 B16R2.2942 O=CCOc1ccc2ccccc2c1Cl 34a_100000029778_200009817547 [1,1,0,0,0,0|1,0,1]=4 8492 B16R2.2942 O=CCOc1ccc2ccccc2c1Cl 7a_100000029778_200015260668 [1,1,0,0,0,0|1,0,1]=4 8493 B16R2.2942 O=CCOc1ccc2ccccc2c1I 34a_100000041551_200009817547 [1,1,0,0,0,0|1,0,1]=4 8494 B16R2.2942 O=CCOc1ccc2ccccc2c1I 7a_100000041551_200015260668 [1,1,0,0,0,0|1,0,1]=4 8495 B16R2.2942 OCCNc1ccc2ccccc2c1Br 34a_100000705303_100000211926 [1,1,0,0,0,0|2,0,0]=4 8496 B16R2.2942 OCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000211926 [1,1,0,0,0,0|2,0,0]=4 8497 B16R2.2942 OCCNc1ccc2ccccc2c1O 34a_100000007060_100000211926 [1,1,0,0,0,0|2,0,0]=4 8498 B16R2.2942 OCCOc1ccc2ccccc2c1Br 34a_100000183829_100000211926 [1,1,0,0,0,0|1,0,0]=3 8499 B16R2.2942 OCCOc1ccc2ccccc2c1Br 7a_100000183829_100000211926 [1,1,0,0,0,0|1,0,0]=3 8500 B16R2.2942 OCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000211926 [1,1,0,0,0,0|1,0,0]=3 8501 B16R2.2942 OCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000211926 [1,1,0,0,0,0|1,0,0]=3 8502 B16R2.2942 OCCOc1ccc2ccccc2c1I 34a_100000041551_100000211926 [1,1,0,0,0,0|1,0,0]=3 8503 B16R2.2942 OCCOc1ccc2ccccc2c1I 7a_100000041551_100000211926 [1,1,0,0,0,0|1,0,0]=3 8504 B16R2.2942 OCCOc1ccc2cccnc2c1Br 34a_100010173343_100000211926 [1,1,0,0,0,0|2,0,0]=4 8505 B16R2.2942 OCCOc1ccc2cccnc2c1Br 7a_100010173343_100000211926 [1,1,0,0,0,0|2,0,0]=4 8506 B16R2.2942 OCCOc1ccc2ccncc2c1Br 34a_200010115057_100000211926 [1,1,0,0,0,0|2,0,0]=4 8507 B16R2.2942 OCCOc1ccc2ccncc2c1Br 7a_200010115057_100000211926 [1,1,0,0,0,0|2,0,0]=4 8508 B16R2.2942 OCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000211926 [1,1,0,0,0,0|2,0,0]=4 8509 B16R2.2942 OCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000211926 [1,1,0,0,0,0|2,0,0]=4 8510 B16R2.2942 OCCSc1ccc2ccccc2c1Br 62a_100000211926_200010089984 [1,1,0,0,0,0|1,1,0]=4 8511 B16R2.2942 OCCSc1ccc2ccccc2c1Br 62a_200010089984_100000211926 [1,1,0,0,0,0|1,1,0]=4 8512 B16R2.2942 OCCSc1ccc2ccccc2c1F 62a_100000211926_100009832041 [1,1,0,0,0,0|1,1,0]=4 8513 B16R2.2942 OCCSc1ccc2ccccc2c1F 62a_100009832041_100000211926 [1,1,0,0,0,0|1,1,0]=4 8514 B16R2.2942 OCCSc1ccc2ccccc2c1O 62a_100000211926_100009996032 [1,1,0,0,0,0|1,1,0]=4 8515 B16R2.2942 Oc1c(ccc2c1cccc2)NCCF 34a_100000007060_100011217306 [1,1,0,0,0,0|2,0,0]=4 8516 B16R2.2942 Oc1c(ccc2c1cccc2)SCCF 62a_100011217306_100009996032 [1,1,0,0,0,0|1,1,0]=4 8517 B16R2.5347 C#CC(C)Oc1ccc2ccccc2c1 34a_100000185828_200000035995 [1,1,0,0,0,0|0,0,2]=4 8518 B16R2.5347 CC(C#N)Oc1ccc2ccccc2c1 7a_100000185828_100000703298 [1,1,0,0,0,0|1,0,1]=4 8519 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 34a_100000211940_100012180447 [1,1,0,0,0,0|2,0,0]=4 8520 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 7a_100000211940_100012180447 [1,1,0,0,0,0|2,0,0]=4 8521 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 34a_100000185828_100012180447 [1,1,0,0,0,0|1,0,0]=3 8522 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 7a_100000185828_100012180447 [1,1,0,0,0,0|1,0,0]=3 8523 B16R2.5347 CC(CO)Oc1ccc2cccnc2c1 34a_100011216045_100012180447 [1,1,0,0,0,0|2,0,0]=4 8524 B16R2.5347 CC(CO)Oc1ccc2ccncc2c1 7a_100000752006_100012180447 [1,1,0,0,0,0|2,0,0]=4 8525 B16R2.5347 CC(CO)Oc1ccc2cnccc2c1 34a_100000046372_100012180447 [1,1,0,0,0,0|2,0,0]=4 8526 B16R2.5347 CC(CO)Oc1ccc2cnccc2c1 7a_100000046372_100012180447 [1,1,0,0,0,0|2,0,0]=4 8527 B16R2.5347 CC(CO)Oc1ccc2ncccc2c1 34a_100011215586_100012180447 [1,1,0,0,0,0|2,0,0]=4 8528 B16R2.5347 CC(CO)Oc1ccc2ncccc2c1 7a_100011215586_100012180447 [1,1,0,0,0,0|2,0,0]=4 8529 B16R2.5347 CC(CO)Oc1cnc2ccccc2c1 34a_100011934006_100012180447 [1,1,0,0,0,0|2,0,0]=4 8530 B16R2.5347 CC(CO)Oc1cnc2ccccc2c1 7a_100011934006_100012180447 [1,1,0,0,0,0|2,0,0]=4 8531 B16R2.5347 CC(CO)Sc1ccc2ccccc2c1 62a_100012180447_100000233703 [1,1,0,0,0,0|1,1,0]=4 8532 B16R2.5347 CCC(=O)Cc1cc2ccccc2cn1 1458a_100000210414_100009869231 [1,1,0,0,0,0|1,0,1]=4 8533 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210202 [1,1,0,0,0,0|0,0,1]=3 8534 B16R2.5347 CCC(=O)Cc1ccc2ccccc2c1 1458a_100000210414_100011216711 [1,1,0,0,0,0|0,0,1]=3 8535 B16R2.5347 CCC(=O)Cc1ccc2ccccc2n1 1458a_100000210414_100000737579 [1,1,0,0,0,0|1,0,1]=4 8536 B16R2.5347 CCC(=O)Cc1ccc2cnccc2c1 1458a_100000210414_100020605334 [1,1,0,0,0,0|1,0,1]=4 8537 B16R2.5347 CCC(=O)Cc1ccc2ncccc2c1 1458a_100000210414_100000703657 [1,1,0,0,0,0|1,0,1]=4 8538 B16R2.5347 CCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210202 [1,1,0,0,0,0|1,0,1]=4 8539 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210414 [1,1,0,0,0,0|1,0,1]=4 8540 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210414 [1,1,0,0,0,0|1,0,1]=4 8541 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210414 [1,1,0,0,0,0|1,0,1]=4 8542 B16R2.5347 CCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210414 [1,1,0,0,0,0|1,0,1]=4 8543 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 34a_100000211940_100011215416 [1,1,0,0,0,0|1,0,0]=3 8544 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000758301 [1,1,0,0,0,0|1,0,0]=3 8545 B16R2.5347 CCC(C)Nc1ccc2cccnc2c1 34a_100102887122_100011215416 [1,1,0,0,0,0|2,0,0]=4 8546 B16R2.5347 CCC(C)Nc1ccc2cnccc2c1 34a_100000039641_100011215416 [1,1,0,0,0,0|2,0,0]=4 8547 B16R2.5347 CCC(C)Nc1ccc2ncccc2c1 34a_100011198106_100011215416 [1,1,0,0,0,0|2,0,0]=4 8548 B16R2.5347 CCC(C)Oc1ccc2ccccc2c1 34a_100000185828_100011215416 [1,1,0,0,0,0|0,0,0]=2 8549 B16R2.5347 CCC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000758301 [1,1,0,0,0,0|0,0,0]=2 8550 B16R2.5347 CCC(C)Oc1ccc2cccnc2c1 34a_100011216045_100011215416 [1,1,0,0,0,0|1,0,0]=3 8551 B16R2.5347 CCC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000758301 [1,1,0,0,0,0|1,0,0]=3 8552 B16R2.5347 CCC(C)Oc1ccc2cnccc2c1 34a_100000046372_100011215416 [1,1,0,0,0,0|1,0,0]=3 8553 B16R2.5347 CCC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000758301 [1,1,0,0,0,0|1,0,0]=3 8554 B16R2.5347 CCC(C)Oc1ccc2ncccc2c1 34a_100011215586_100011215416 [1,1,0,0,0,0|1,0,0]=3 8555 B16R2.5347 CCC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000758301 [1,1,0,0,0,0|1,0,0]=3 8556 B16R2.5347 CCC(C)Oc1ccc2nccnc2c1 34a_100000694412_100011215416 [1,1,0,0,0,0|2,0,0]=4 8557 B16R2.5347 CCC(C)Oc1cnc2ccccc2c1 34a_100011934006_100011215416 [1,1,0,0,0,0|1,0,0]=3 8558 B16R2.5347 CCC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000758301 [1,1,0,0,0,0|1,0,0]=3 8559 B16R2.5347 CCC(C)Sc1cc2ccccc2cn1 62a_100000758301_100000047361 [1,1,0,0,0,0|1,1,0]=4 8560 B16R2.5347 CCC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000758301 [1,1,0,0,0,0|1,1,0]=4 8561 B16R2.5347 CCC(C)Sc1ccc2ccccc2c1 62a_100000758301_100000233703 [1,1,0,0,0,0|0,1,0]=3 8562 B16R2.5347 CCC(C)Sc1ccc2ccccc2n1 62a_100000758301_100011291633 [1,1,0,0,0,0|1,1,0]=4 8563 B16R2.5347 CCC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000758301 [1,1,0,0,0,0|1,1,0]=4 8564 B16R2.5347 CCC(C)Sc1ccc2cccnc2c1 62a_100000758301_100009816655 [1,1,0,0,0,0|1,1,0]=4 8565 B16R2.5347 CCC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000758301 [1,1,0,0,0,0|1,1,0]=4 8566 B16R2.5347 CCC(C)Sc1ccc2ccncc2c1 62a_100000758301_100000686496 [1,1,0,0,0,0|1,1,0]=4 8567 B16R2.5347 CCC(C)Sc1ccc2cnccc2c1 62a_100000758301_100009816743 [1,1,0,0,0,0|1,1,0]=4 8568 B16R2.5347 CCC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000758301 [1,1,0,0,0,0|1,1,0]=4 8569 B16R2.5347 CCC(C)Sc1ccc2ncccc2c1 62a_100000758301_100011215947 [1,1,0,0,0,0|1,1,0]=4 8570 B16R2.5347 CCC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000758301 [1,1,0,0,0,0|1,1,0]=4 8571 B16R2.5347 CCC(C)Sc1cnc2ccccc2c1 62a_100000758301_100000737414 [1,1,0,0,0,0|1,1,0]=4 8572 B16R2.5347 CCN(C)Cc1cc2ccccc2cn1 2230a_100000225621_100009869231 [1,1,0,0,0,0|2,0,0]=4 8573 B16R2.5347 CCN(C)Cc1cc2ccccc2cn1 269982a_100000225621_100009869231 [1,1,0,0,0,0|2,0,0]=4 8574 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210202 [1,1,0,0,0,0|1,0,0]=3 8575 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000201282_200000210301 [1,1,0,0,0,0|1,0,0]=3 8576 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 2230a_100000225621_100011216711 [1,1,0,0,0,0|1,0,0]=3 8577 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000204670 [1,1,0,0,0,0|1,0,0]=3 8578 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000201282_200000210301 [1,1,0,0,0,0|1,0,0]=3 8579 B16R2.5347 CCN(C)Cc1ccc2ccccc2c1 269982a_100000225621_100011216711 [1,1,0,0,0,0|1,0,0]=3 8580 B16R2.5347 CCN(C)Cc1ccc2ccccc2n1 2230a_100000225621_100000737579 [1,1,0,0,0,0|2,0,0]=4 8581 B16R2.5347 CCN(C)Cc1ccc2cnccc2c1 2230a_100000225621_100020605334 [1,1,0,0,0,0|2,0,0]=4 8582 B16R2.5347 CCN(C)Cc1ccc2cnccc2c1 269982a_100000225621_100020605334 [1,1,0,0,0,0|2,0,0]=4 8583 B16R2.5347 CCN(C)Cc1ccc2ncccc2c1 2230a_100000207558_100000210202 [1,1,0,0,0,0|2,0,0]=4 8584 B16R2.5347 CCN(C)Cc1ccc2ncccc2c1 2230a_100000225621_100000703657 [1,1,0,0,0,0|2,0,0]=4 8585 B16R2.5347 CCN(C)Cc1ccc2ncccc2c1 269982a_100000207558_100000204670 [1,1,0,0,0,0|2,0,0]=4 8586 B16R2.5347 CCN(C)Cc1ccc2ncccc2c1 269982a_100000225621_100000703657 [1,1,0,0,0,0|2,0,0]=4 8587 B16R2.5347 CCN(C)Cc1cnc2ccccc2c1 2230a_100011875994_100000210202 [1,1,0,0,0,0|2,0,0]=4 8588 B16R2.5347 CCN(C)Cc1cnc2ccccc2c1 269982a_100011875994_100000204670 [1,1,0,0,0,0|2,0,0]=4 8589 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 2230a_100000201282_200025704644 [1,1,0,0,0,0|1,0,0]=3 8590 B16R2.5347 CCN([13CH3])Cc1ccc2ccccc2c1 269982a_100000201282_200025704644 [1,1,0,0,0,0|1,0,0]=3 8591 B16R2.5347 CN(CF)Cc1ccc2ccccc2c1 269982a_100000185194_100015361967 [1,1,0,0,0,0|2,0,0]=4 8592 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 11a_106832991635_100000181716 [1,1,0,0,0,0|1,0,1]=4 8593 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 1626a_100102657272_100000181716 [1,1,0,0,0,0|1,0,1]=4 8594 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 240690a_100102657272_100000181716 [1,1,0,0,0,0|1,0,1]=4 8595 B16R2.5347 CNC(=O)Cc1ccc2ccccc2c1 527a_100102657272_100000181716 [1,1,0,0,0,0|1,0,1]=4 8596 B16R2.5347 CNC(C)Cc1ccc2ccccc2n1 270004a_106832991635_100011245913 [1,1,0,0,0,0|2,0,0]=4 8597 B16R2.5347 COC(C)Sc1ccc2ccccc2c1 62a_100009879195_100000233703 [1,1,0,0,0,0|1,1,0]=4 8598 B16R2.5347 C[C@H](CO)Sc1ccc2ccccc2c1 62a_100016084084_100000233703 [1,1,0,0,0,0|1,1,0]=4 8599 B16R2.5347 O=C(CF)Cc1ccc2ccccc2c1 1458a_100000181716_100015361967 [1,1,0,0,0,0|1,0,1]=4 8600 B16R2.5347 O=C(CO)Cc1ccc2ccccc2c1 1458a_100000210174_100011216711 [1,1,0,0,0,0|1,0,1]=4 8601 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000184674 [1,1,0,0,0,0|0,0,2]=4 8602 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000038162 [1,1,0,0,0,0|0,0,2]=4 8603 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000184674 [1,1,0,0,0,0|0,0,2]=4 8604 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000038162 [1,1,0,0,0,0|0,0,2]=4 8605 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000184674 [1,1,0,0,0,0|0,0,2]=4 8606 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000038162 [1,1,0,0,0,0|0,0,2]=4 8607 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000184674 [1,1,0,0,0,0|0,0,2]=4 8608 B16R2.30336 C#CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000038162 [1,1,0,0,0,0|0,0,2]=4 8609 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100015514636 [1,1,0,0,0,0|0,0,2]=4 8610 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100015514636 [1,1,0,0,0,0|0,0,2]=4 8611 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100015514636 [1,1,0,0,0,0|0,0,2]=4 8612 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100015514636 [1,1,0,0,0,0|0,0,2]=4 8613 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015514636 [1,1,0,0,0,0|0,0,2]=4 8614 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015514636 [1,1,0,0,0,0|0,0,2]=4 8615 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100015514636 [1,1,0,0,0,0|0,0,2]=4 8616 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100015514636 [1,1,0,0,0,0|0,0,2]=4 8617 B16R2.30336 CCCCc1ccc2[nH]c(=O)ccc2c1 271570a_100020621405_100011934725 [1,1,0,0,0,0|1,0,0]=3 8618 B16R2.30336 CCCCc1ccc2[nH]c(=O)cnc2c1 271570a_100020621405_100010209493 [1,1,0,0,0,0|2,0,0]=4 8619 B16R2.30336 CCCCc1ccc2c[n+](ccc2c1)C 271570a_100020621405_100015191232 [1,1,0,0,0,0|1,0,0]=3 8620 B16R2.30336 CCCCc1ccc2cc(ccc2c1)Br 271570a_100020621405_100012344972 [1,1,0,0,0,0|0,0,0]=2 8621 B16R2.30336 CCCCc1ccc2cc(ccc2c1)F 271570a_100020621405_100009817052 [1,1,0,0,0,0|0,0,0]=2 8622 B16R2.30336 CCCCc1ccc2cc(ccc2c1)N 271570a_100020621405_100000185457 [1,1,0,0,0,0|0,0,0]=2 8623 B16R2.30336 CCCCc1ccc2cc(ccc2c1)O 271570a_100020621405_100000185455 [1,1,0,0,0,0|0,0,0]=2 8624 B16R2.30336 CCCCc1ccc2cc(ccc2n1)C 271570a_100020621405_100011865911 [1,1,0,0,0,0|1,0,0]=3 8625 B16R2.30336 CCCCc1ccc2cc(ccc2n1)F 271570a_100020621405_100011998705 [1,1,0,0,0,0|1,0,0]=3 8626 B16R2.30336 CCCCc1ccc2cc(ccc2n1)O 271570a_100020621405_100009849208 [1,1,0,0,0,0|1,0,0]=3 8627 B16R2.30336 CCCCc1ccc2cc(cnc2c1)Br 271570a_100020621405_200015509644 [1,1,0,0,0,0|1,0,0]=3 8628 B16R2.30336 CCCCc1ccc2cc(cnc2c1)C 271570a_100020621405_100010751441 [1,1,0,0,0,0|1,0,0]=3 8629 B16R2.30336 CCCCc1ccc2cc(cnc2c1)F 271570a_100020621405_100010751466 [1,1,0,0,0,0|1,0,0]=3 8630 B16R2.30336 CCCCc1ccc2cc(cnc2c1)N 271570a_100020621405_100010142226 [1,1,0,0,0,0|1,0,0]=3 8631 B16R2.30336 CCCCc1ccc2cc(ncc2c1)N 271570a_100020621405_100010232990 [1,1,0,0,0,0|1,0,0]=3 8632 B16R2.30336 CCCCc1ccc2nc(ccc2c1)C 271570a_100020621405_100000686635 [1,1,0,0,0,0|1,0,0]=3 8633 B16R2.30336 CCCCc1ccc2nc(ccc2c1)Cl 271570a_100020621405_200012034268 [1,1,0,0,0,0|1,0,0]=3 8634 B16R2.30336 CCCCc1ccc2nc(ccc2c1)N 271570a_100020621405_100011934619 [1,1,0,0,0,0|1,0,0]=3 8635 B16R2.30336 CCCCc1ccc2nc(ccc2n1)C 271570a_100020621405_200009884078 [1,1,0,0,0,0|2,0,0]=4 8636 B16R2.30336 CCCCc1ccc2nc(ncc2c1)N 271570a_100020621405_100010138702 [1,1,0,0,0,0|2,0,0]=4 8637 B16R2.30336 CCCCc1ccc2oc(=O)ccc2c1 271570a_100020621405_100009999946 [1,1,0,0,0,0|1,0,0]=3 8638 B16R2.30336 CCCCc1cnc2cc(ccc2c1)Cl 271570a_100020621405_100015716233 [1,1,0,0,0,0|1,0,0]=3 8639 B16R2.30336 CCCCc1cnc2cc(ccc2c1)N 271570a_100020621405_200010264087 [1,1,0,0,0,0|1,0,0]=3 8640 B16R2.30336 CCCCc1cnc2cc(ccc2c1)O 271570a_100020621405_200010153753 [1,1,0,0,0,0|1,0,0]=3 8641 B16R2.30336 CCCCc1cnc2cc(ccc2n1)F 271570a_100020621405_100000098432 [1,1,0,0,0,0|2,0,0]=4 8642 B16R2.30336 CCCCc1cnc2cc(ccc2n1)N 271570a_100020621405_100009885871 [1,1,0,0,0,0|2,0,0]=4 8643 B16R2.30336 CCCCc1cnc2cc(ccc2n1)O 271570a_100020621405_200010664160 [1,1,0,0,0,0|2,0,0]=4 8644 B16R2.30336 CCCCc1cnc2nc(ccc2c1)N 271570a_100020621405_100010214896 [1,1,0,0,0,0|2,0,0]=4 8645 B16R2.30336 CCCCc1cnc2nc(ccc2c1)O 271570a_100020621405_100009814606 [1,1,0,0,0,0|2,0,0]=4 8646 B16R2.30336 CCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210303 [1,1,0,0,0,0|1,0,0]=3 8647 B16R2.30336 CCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210303 [1,1,0,0,0,0|1,0,0]=3 8648 B16R2.30336 CCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210303 [1,1,0,0,0,0|2,0,0]=4 8649 B16R2.30336 CCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000210303 [1,1,0,0,0,0|2,0,0]=4 8650 B16R2.30336 CCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210303 [1,1,0,0,0,0|2,0,0]=4 8651 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210303 [1,1,0,0,0,0|0,0,0]=2 8652 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210303 [1,1,0,0,0,0|0,0,0]=2 8653 B16R2.30336 CCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210303 [1,1,0,0,0,0|0,0,0]=2 8654 B16R2.30336 CCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210303 [1,1,0,0,0,0|0,0,0]=2 8655 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210303 [1,1,0,0,0,0|0,0,0]=2 8656 B16R2.30336 CCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210303 [1,1,0,0,0,0|0,0,0]=2 8657 B16R2.30336 CCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210303 [1,1,0,0,0,0|0,0,0]=2 8658 B16R2.30336 CCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210303 [1,1,0,0,0,0|0,0,0]=2 8659 B16R2.30336 CCCOc1ccc2cc(ccc2c1)O 271570a_203496583355_200000170442 [1,1,0,0,0,0|0,0,0]=2 8660 B16R2.30336 CCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210303 [1,1,0,0,0,0|1,0,0]=3 8661 B16R2.30336 CCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210303 [1,1,0,0,0,0|1,0,0]=3 8662 B16R2.30336 CCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210303 [1,1,0,0,0,0|1,0,0]=3 8663 B16R2.30336 CCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210303 [1,1,0,0,0,0|1,0,0]=3 8664 B16R2.30336 CCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210303 [1,1,0,0,0,0|1,0,0]=3 8665 B16R2.30336 CCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210303 [1,1,0,0,0,0|1,0,0]=3 8666 B16R2.30336 CCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210303 [1,1,0,0,0,0|2,0,0]=4 8667 B16R2.30336 CCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210303 [1,1,0,0,0,0|1,0,0]=3 8668 B16R2.30336 CCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210303 [1,1,0,0,0,0|1,0,0]=3 8669 B16R2.30336 CCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210303 [1,1,0,0,0,0|1,0,0]=3 8670 B16R2.30336 CCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210303 [1,1,0,0,0,0|1,0,0]=3 8671 B16R2.30336 CCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210303_100011934725 [1,1,0,0,0,0|1,1,0]=4 8672 B16R2.30336 CCCSc1ccc2c[n+](ccc2c1)C 62a_100000210303_100015191232 [1,1,0,0,0,0|1,1,0]=4 8673 B16R2.30336 CCCSc1ccc2cc(ccc2c1)F 62a_100000210303_100009817052 [1,1,0,0,0,0|0,1,0]=3 8674 B16R2.30336 CCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210303 [1,1,0,0,0,0|0,1,0]=3 8675 B16R2.30336 CCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210303 [1,1,0,0,0,0|0,1,0]=3 8676 B16R2.30336 CCCSc1ccc2cc(ccc2c1)N 62a_100000210303_100000185457 [1,1,0,0,0,0|0,1,0]=3 8677 B16R2.30336 CCCSc1ccc2cc(ccc2c1)O 62a_100000210303_100000185455 [1,1,0,0,0,0|0,1,0]=3 8678 B16R2.30336 CCCSc1ccc2cc(ccc2n1)C 62a_100000210303_100011865911 [1,1,0,0,0,0|1,1,0]=4 8679 B16R2.30336 CCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210303 [1,1,0,0,0,0|1,1,0]=4 8680 B16R2.30336 CCCSc1ccc2cc(ccc2n1)F 62a_100000210303_100011998705 [1,1,0,0,0,0|1,1,0]=4 8681 B16R2.30336 CCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210303 [1,1,0,0,0,0|1,1,0]=4 8682 B16R2.30336 CCCSc1ccc2cc(ccc2n1)O 62a_100000210303_100009849208 [1,1,0,0,0,0|1,1,0]=4 8683 B16R2.30336 CCCSc1ccc2cc(cnc2c1)Br 62a_100000210303_200015509644 [1,1,0,0,0,0|1,1,0]=4 8684 B16R2.30336 CCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000210303 [1,1,0,0,0,0|1,1,0]=4 8685 B16R2.30336 CCCSc1ccc2cc(cnc2c1)C 62a_100000210303_100010751441 [1,1,0,0,0,0|1,1,0]=4 8686 B16R2.30336 CCCSc1ccc2cc(cnc2c1)F 62a_100000210303_100010751466 [1,1,0,0,0,0|1,1,0]=4 8687 B16R2.30336 CCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210303 [1,1,0,0,0,0|1,1,0]=4 8688 B16R2.30336 CCCSc1ccc2cc(cnc2c1)N 62a_100000210303_100010142226 [1,1,0,0,0,0|1,1,0]=4 8689 B16R2.30336 CCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000210303 [1,1,0,0,0,0|1,1,0]=4 8690 B16R2.30336 CCCSc1ccc2cc(ncc2c1)N 62a_100000210303_100010232990 [1,1,0,0,0,0|1,1,0]=4 8691 B16R2.30336 CCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000210303 [1,1,0,0,0,0|1,1,0]=4 8692 B16R2.30336 CCCSc1ccc2nc(ccc2c1)C 62a_100000210303_100000686635 [1,1,0,0,0,0|1,1,0]=4 8693 B16R2.30336 CCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000210303 [1,1,0,0,0,0|1,1,0]=4 8694 B16R2.30336 CCCSc1ccc2nc(ccc2c1)Cl 62a_100000210303_200012034268 [1,1,0,0,0,0|1,1,0]=4 8695 B16R2.30336 CCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210303 [1,1,0,0,0,0|1,1,0]=4 8696 B16R2.30336 CCCSc1ccc2oc(=O)ccc2c1 62a_100000210303_100009999946 [1,1,0,0,0,0|1,1,0]=4 8697 B16R2.30336 CCCSc1cnc2cc(ccc2c1)Cl 62a_100000210303_100015716233 [1,1,0,0,0,0|1,1,0]=4 8698 B16R2.30336 CCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000210303 [1,1,0,0,0,0|1,1,0]=4 8699 B16R2.30336 CCCSc1cnc2cc(ccc2c1)N 62a_100000210303_200010264087 [1,1,0,0,0,0|1,1,0]=4 8700 B16R2.30336 CCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000210303 [1,1,0,0,0,0|1,1,0]=4 8701 B16R2.30336 CCCSc1cnc2cc(ccc2c1)O 62a_100000210303_200010153753 [1,1,0,0,0,0|1,1,0]=4 8702 B16R2.30336 CCNCc1cc2ccc(cc2cn1)Cl 2230a_100015525214_200010408301 [1,1,0,0,0,0|2,0,0]=4 8703 B16R2.30336 CCNCc1ccc2cc(ccc2c1)Br 207a_100015525214_100012356508 [1,1,0,0,0,0|1,0,0]=3 8704 B16R2.30336 CCNCc1ccc2cc(ccc2c1)Br 2230a_100015525214_100012356510 [1,1,0,0,0,0|1,0,0]=3 8705 B16R2.30336 CCNCc1ccc2cc(ccc2c1)Br 270004a_100015525214_100012356508 [1,1,0,0,0,0|1,0,0]=3 8706 B16R2.30336 CCNCc1ccc2cc(ccc2c1)O 207a_100015525214_100000067190 [1,1,0,0,0,0|1,0,0]=3 8707 B16R2.30336 CCNCc1ccc2cc(ccc2c1)O 270004a_100015525214_100000067190 [1,1,0,0,0,0|1,0,0]=3 8708 B16R2.30336 CCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210202 [1,1,0,0,0,0|1,0,0]=3 8709 B16R2.30336 CCNCc1ccc2cc(ccc2n1)C 2230a_100015525214_100009884411 [1,1,0,0,0,0|2,0,0]=4 8710 B16R2.30336 CCNCc1ccc2cc(ccc2n1)Cl 207a_100015525214_100000059782 [1,1,0,0,0,0|2,0,0]=4 8711 B16R2.30336 CCNCc1ccc2cc(ccc2n1)Cl 270004a_100015525214_100000059782 [1,1,0,0,0,0|2,0,0]=4 8712 B16R2.30336 CCNCc1ccc2cc(ccc2n1)F 207a_100015525214_100000068074 [1,1,0,0,0,0|2,0,0]=4 8713 B16R2.30336 CCNCc1ccc2cc(ccc2n1)F 270004a_100015525214_100000068074 [1,1,0,0,0,0|2,0,0]=4 8714 B16R2.30336 CCNCc1ccc2cc(cnc2c1)Br 207a_100015525214_100010114372 [1,1,0,0,0,0|2,0,0]=4 8715 B16R2.30336 CCNCc1ccc2cc(cnc2c1)Br 270004a_100015525214_100010114372 [1,1,0,0,0,0|2,0,0]=4 8716 B16R2.30336 CCNCc1ccc2nc(ccc2c1)C 207a_100015525214_100000709793 [1,1,0,0,0,0|2,0,0]=4 8717 B16R2.30336 CCNCc1ccc2nc(ccc2c1)C 270004a_100015525214_100000709793 [1,1,0,0,0,0|2,0,0]=4 8718 B16R2.30336 CCNCc1ccc2nc(ccc2c1)Cl 270004a_100015525214_100000087602 [1,1,0,0,0,0|2,0,0]=4 8719 B16R2.30336 CCNCc1ccc2oc(=O)ccc2c1 2230a_100015525214_200010983872 [1,1,0,0,0,0|2,0,0]=4 8720 B16R2.30336 CCNCc1ccc2oc(=O)ccc2c1 270004a_100015525214_100000036638 [1,1,0,0,0,0|2,0,0]=4 8721 B16R2.30336 CCOCc1cc2ccc(cc2cn1)Cl 34a_100121572206_200010408301 [1,1,0,0,0,0|2,0,0]=4 8722 B16R2.30336 CCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000210202 [1,1,0,0,0,0|1,0,0]=3 8723 B16R2.30336 CCOCc1ccc2cc(ccc2c1)Br 34a_100121572206_100012356510 [1,1,0,0,0,0|1,0,0]=3 8724 B16R2.30336 CCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000210202 [1,1,0,0,0,0|1,0,0]=3 8725 B16R2.30336 CCOCc1ccc2cc(ccc2n1)C 34a_100121572206_100009884411 [1,1,0,0,0,0|2,0,0]=4 8726 B16R2.30336 CCOCc1ccc2nc(ccc2c1)C 34a_100011934618_100000210202 [1,1,0,0,0,0|2,0,0]=4 8727 B16R2.30336 CCSCc1cc2ccc(cc2cn1)Cl 62a_100000210202_200010408301 [1,1,0,0,0,0|2,0,0]=4 8728 B16R2.30336 CCSCc1cc2ccc(cc2cn1)Cl 62a_200010408301_100000210202 [1,1,0,0,0,0|2,0,0]=4 8729 B16R2.30336 CCSCc1ccc2cc(ccc2c1)Br 62a_100000210202_100012356510 [1,1,0,0,0,0|1,0,0]=3 8730 B16R2.30336 CCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100000210202 [1,1,0,0,0,0|1,0,0]=3 8731 B16R2.30336 CCSCc1ccc2cc(ccc2n1)C 62a_100000210202_100009884411 [1,1,0,0,0,0|2,0,0]=4 8732 B16R2.30336 CCSCc1ccc2cc(ccc2n1)C 62a_100009884411_100000210202 [1,1,0,0,0,0|2,0,0]=4 8733 B16R2.30336 CCSCc1ccc2oc(=O)ccc2c1 62a_100000210202_200010983872 [1,1,0,0,0,0|2,0,0]=4 8734 B16R2.30336 COCOc1ccc2cc(ccc2c1)O 271570a_203496583355_100000149268 [1,1,0,0,0,0|1,0,0]=3 8735 B16R2.30336 COCSc1ccc2cc(ccc2c1)Br 62a_100000766300_100012344972 [1,1,0,0,0,0|1,1,0]=4 8736 B16R2.30336 COCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000766300 [1,1,0,0,0,0|1,1,0]=4 8737 B16R2.30336 COCSc1ccc2cc(ccc2c1)F 62a_100000766300_100009817052 [1,1,0,0,0,0|1,1,0]=4 8738 B16R2.30336 COCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000766300 [1,1,0,0,0,0|1,1,0]=4 8739 B16R2.30336 COCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000766300 [1,1,0,0,0,0|1,1,0]=4 8740 B16R2.30336 COCSc1ccc2cc(ccc2c1)N 62a_100000766300_100000185457 [1,1,0,0,0,0|1,1,0]=4 8741 B16R2.30336 COCSc1ccc2cc(ccc2c1)O 62a_100000766300_100000185455 [1,1,0,0,0,0|1,1,0]=4 8742 B16R2.30336 CSCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011218213 [1,1,0,0,0,0|2,0,0]=4 8743 B16R2.30336 CSCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011218213 [1,1,0,0,0,0|1,0,0]=3 8744 B16R2.30336 CSCOc1ccc2cc(ccc2c1)C 34a_100000074090_100011218213 [1,1,0,0,0,0|1,0,0]=3 8745 B16R2.30336 CSCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011218213 [1,1,0,0,0,0|1,0,0]=3 8746 B16R2.30336 CSCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011218213 [1,1,0,0,0,0|1,0,0]=3 8747 B16R2.30336 CSCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100011218213 [1,1,0,0,0,0|2,0,0]=4 8748 B16R2.30336 CSCOc1ccc2nc(ccc2c1)C 34a_100000037634_100011218213 [1,1,0,0,0,0|2,0,0]=4 8749 B16R2.30336 CSCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011218213 [1,1,0,0,0,0|2,0,0]=4 8750 B16R2.30336 CSCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100011218213 [1,1,0,0,0,0|2,0,0]=4 8751 B16R2.30336 CSCOc1cnc2cc(ccc2c1)F 34a_100012184162_100011218213 [1,1,0,0,0,0|2,0,0]=4 8752 B16R2.30336 CSCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011218213 [1,1,0,0,0,0|1,1,0]=4 8753 B16R2.30336 CSCSc1ccc2cc(ccc2c1)F 62a_100011218213_100009817052 [1,1,0,0,0,0|1,1,0]=4 8754 B16R2.30336 CSCSc1ccc2cc(ccc2c1)N 62a_100000185457_100011218213 [1,1,0,0,0,0|1,1,0]=4 8755 B16R2.30336 CSCSc1ccc2cc(ccc2c1)N 62a_100011218213_100000185457 [1,1,0,0,0,0|1,1,0]=4 8756 B16R2.30336 CSCSc1ccc2cc(ccc2c1)O 62a_100011218213_100000185455 [1,1,0,0,0,0|1,1,0]=4 8757 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC#N 7a_100000074090_100011215382 [1,1,0,0,0,0|1,0,1]=4 8758 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC=O 34a_100000074090_200009817547 [1,1,0,0,0,0|1,0,1]=4 8759 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC=O 7a_100000074090_200015260668 [1,1,0,0,0,0|1,0,1]=4 8760 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCF 34a_100000074090_100011217306 [1,1,0,0,0,0|1,0,0]=3 8761 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCF 7a_100000074090_100011217306 [1,1,0,0,0,0|1,0,0]=3 8762 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCO 34a_100000074090_100000211926 [1,1,0,0,0,0|1,0,0]=3 8763 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCO 7a_100000074090_100000211926 [1,1,0,0,0,0|1,0,0]=3 8764 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCF 34a_100000037634_100011217306 [1,1,0,0,0,0|2,0,0]=4 8765 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCF 7a_100000037634_100011217306 [1,1,0,0,0,0|2,0,0]=4 8766 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCO 34a_100000037634_100000211926 [1,1,0,0,0,0|2,0,0]=4 8767 B16R2.30336 Cc1ccc2cc(ccc2n1)OCCO 7a_100000037634_100000211926 [1,1,0,0,0,0|2,0,0]=4 8768 B16R2.30336 FCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011217306 [1,1,0,0,0,0|2,0,0]=4 8769 B16R2.30336 FCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011217306 [1,1,0,0,0,0|2,0,0]=4 8770 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011217306 [1,1,0,0,0,0|1,0,0]=3 8771 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011217306 [1,1,0,0,0,0|1,0,0]=3 8772 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011217306 [1,1,0,0,0,0|1,0,0]=3 8773 B16R2.30336 FCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011217306 [1,1,0,0,0,0|1,0,0]=3 8774 B16R2.30336 FCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011217306 [1,1,0,0,0,0|1,0,0]=3 8775 B16R2.30336 FCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011217306 [1,1,0,0,0,0|1,0,0]=3 8776 B16R2.30336 FCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100011217306 [1,1,0,0,0,0|2,0,0]=4 8777 B16R2.30336 FCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100011217306 [1,1,0,0,0,0|2,0,0]=4 8778 B16R2.30336 FCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011217306 [1,1,0,0,0,0|2,0,0]=4 8779 B16R2.30336 FCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011217306 [1,1,0,0,0,0|2,0,0]=4 8780 B16R2.30336 FCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100011217306 [1,1,0,0,0,0|2,0,0]=4 8781 B16R2.30336 FCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100011217306 [1,1,0,0,0,0|2,0,0]=4 8782 B16R2.30336 FCCSc1ccc2cc(ccc2c1)Br 62a_100011217306_100012344972 [1,1,0,0,0,0|1,1,0]=4 8783 B16R2.30336 FCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011217306 [1,1,0,0,0,0|1,1,0]=4 8784 B16R2.30336 FCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011217306 [1,1,0,0,0,0|1,1,0]=4 8785 B16R2.30336 FCCSc1ccc2cc(ccc2c1)F 62a_100011217306_100009817052 [1,1,0,0,0,0|1,1,0]=4 8786 B16R2.30336 FCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100015361967 [1,1,0,0,0,0|2,0,0]=4 8787 B16R2.30336 FCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100015361967 [1,1,0,0,0,0|2,0,0]=4 8788 B16R2.30336 FCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100015361967 [1,1,0,0,0,0|2,0,0]=4 8789 B16R2.30336 FCSCc1ccc2cc(ccc2c1)Br 62a_100015361967_100012356510 [1,1,0,0,0,0|2,0,0]=4 8790 B16R2.30336 N#CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011215382 [1,1,0,0,0,0|1,0,1]=4 8791 B16R2.30336 N#CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011215382 [1,1,0,0,0,0|1,0,1]=4 8792 B16R2.30336 N#CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011215382 [1,1,0,0,0,0|1,0,1]=4 8793 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCF 62a_100000185457_100011217306 [1,1,0,0,0,0|1,1,0]=4 8794 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCF 62a_100011217306_100000185457 [1,1,0,0,0,0|1,1,0]=4 8795 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCO 62a_100000185457_100000211926 [1,1,0,0,0,0|1,1,0]=4 8796 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCO 62a_100000211926_100000185457 [1,1,0,0,0,0|1,1,0]=4 8797 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_200009817547 [1,1,0,0,0,0|1,0,1]=4 8798 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_200015260668 [1,1,0,0,0,0|1,0,1]=4 8799 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_200009817547 [1,1,0,0,0,0|1,0,1]=4 8800 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_200015260668 [1,1,0,0,0,0|1,0,1]=4 8801 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)F 34a_100009847029_200009817547 [1,1,0,0,0,0|1,0,1]=4 8802 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)F 7a_100009847029_200015260668 [1,1,0,0,0,0|1,0,1]=4 8803 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCF 34a_100000066265_100011217306 [1,1,0,0,0,0|2,0,0]=4 8804 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCF 7a_100000066265_100011217306 [1,1,0,0,0,0|2,0,0]=4 8805 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCO 34a_100000066265_100000211926 [1,1,0,0,0,0|2,0,0]=4 8806 B16R2.30336 O=c1ccc2cc(ccc2o1)OCCO 7a_100000066265_100000211926 [1,1,0,0,0,0|2,0,0]=4 8807 B16R2.30336 OCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000211926 [1,1,0,0,0,0|2,0,0]=4 8808 B16R2.30336 OCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000211926 [1,1,0,0,0,0|2,0,0]=4 8809 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000211926 [1,1,0,0,0,0|1,0,0]=3 8810 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000211926 [1,1,0,0,0,0|1,0,0]=3 8811 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000211926 [1,1,0,0,0,0|1,0,0]=3 8812 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000211926 [1,1,0,0,0,0|1,0,0]=3 8813 B16R2.30336 OCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000211926 [1,1,0,0,0,0|1,0,0]=3 8814 B16R2.30336 OCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000211926 [1,1,0,0,0,0|1,0,0]=3 8815 B16R2.30336 OCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000211926 [1,1,0,0,0,0|2,0,0]=4 8816 B16R2.30336 OCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000211926 [1,1,0,0,0,0|2,0,0]=4 8817 B16R2.30336 OCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000211926 [1,1,0,0,0,0|2,0,0]=4 8818 B16R2.30336 OCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000211926 [1,1,0,0,0,0|2,0,0]=4 8819 B16R2.30336 OCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000211926 [1,1,0,0,0,0|2,0,0]=4 8820 B16R2.30336 OCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000211926 [1,1,0,0,0,0|2,0,0]=4 8821 B16R2.30336 OCCSc1ccc2cc(ccc2c1)Br 62a_100000211926_100012344972 [1,1,0,0,0,0|1,1,0]=4 8822 B16R2.30336 OCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000211926 [1,1,0,0,0,0|1,1,0]=4 8823 B16R2.30336 OCCSc1ccc2cc(ccc2c1)F 62a_100000211926_100009817052 [1,1,0,0,0,0|1,1,0]=4 8824 B16R2.30336 OCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000211926 [1,1,0,0,0,0|1,1,0]=4 8825 B16R2.30336 OCCSc1ccc2cc(ccc2c1)O 62a_100000211926_100000185455 [1,1,0,0,0,0|1,1,0]=4 8826 B16R2.30336 Oc1ccc2cc(ccc2c1)CNCF 34a_200000083168_100015361967 [1,1,0,0,0,0|2,0,0]=4 8827 B16R2.30336 Oc1ccc2cc(ccc2c1)SCCF 62a_100011217306_100000185455 [1,1,0,0,0,0|1,1,0]=4 8828 B16R2.163604 C#CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000184674 [1,1,0,0,0,0|0,0,2]=4 8829 B16R2.163604 C#CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000038162 [1,1,0,0,0,0|0,0,2]=4 8830 B16R2.163604 C=CCOc1ccc2c(cccc2c1)N 34a_100000034668_100015514636 [1,1,0,0,0,0|0,0,2]=4 8831 B16R2.163604 C=CCOc1ccc2c(cccc2c1)N 7a_100000034668_100015514636 [1,1,0,0,0,0|0,0,2]=4 8832 B16R2.163604 CCCCc1cc2ccnc(c2cn1)O 271570a_100020621405_100020669822 [1,1,0,0,0,0|2,0,0]=4 8833 B16R2.163604 CCCCc1ccc2c(=O)[nH]cnc2c1 271570a_100020621405_100000230960 [1,1,0,0,0,0|2,0,0]=4 8834 B16R2.163604 CCCCc1ccc2c(=O)ccoc2c1 271570a_100020621405_100010062221 [1,1,0,0,0,0|1,0,0]=3 8835 B16R2.163604 CCCCc1ccc2c(cccc2c1)N 271570a_100020621405_100010090037 [1,1,0,0,0,0|0,0,0]=2 8836 B16R2.163604 CCCCc1ccc2c(cccc2c1)O 271570a_100020621405_100010202202 [1,1,0,0,0,0|0,0,0]=2 8837 B16R2.163604 CCCCc1ccc2c(ccnc2c1)C 271570a_100020621405_100010132309 [1,1,0,0,0,0|1,0,0]=3 8838 B16R2.163604 CCCCc1ccc2c(ccnc2c1)Cl 271570a_100020621405_100009996786 [1,1,0,0,0,0|1,0,0]=3 8839 B16R2.163604 CCCCc1ccc2c(ccnc2c1)N 271570a_100020621405_200009816820 [1,1,0,0,0,0|1,0,0]=3 8840 B16R2.163604 CCCCc1ccc2c(ccnc2c1)O 271570a_100020621405_100000756855 [1,1,0,0,0,0|1,0,0]=3 8841 B16R2.163604 CCCCc1ccc2c(nccc2c1)N 271570a_100020621405_100000732483 [1,1,0,0,0,0|1,0,0]=3 8842 B16R2.163604 CCCCc1ccc2c(nccc2c1)O 271570a_100020621405_100000760485 [1,1,0,0,0,0|1,0,0]=3 8843 B16R2.163604 CCCCc1ccc2c(ncnc2c1)N 271570a_100020621405_100010199758 [1,1,0,0,0,0|2,0,0]=4 8844 B16R2.163604 CCCCc1ccc2c(nncc2c1)O 271570a_100020621405_100000724280 [1,1,0,0,0,0|2,0,0]=4 8845 B16R2.163604 CCCCc1cnc2c(cccc2c1)Br 271570a_100020621405_100010204298 [1,1,0,0,0,0|1,0,0]=3 8846 B16R2.163604 CCCCc1cnc2c(cccc2c1)C 271570a_100020621405_100009829671 [1,1,0,0,0,0|1,0,0]=3 8847 B16R2.163604 CCCCc1cnc2c(cccc2c1)Cl 271570a_100020621405_100000759377 [1,1,0,0,0,0|1,0,0]=3 8848 B16R2.163604 CCCCc1cnc2c(cccc2c1)F 271570a_100020621405_100000049890 [1,1,0,0,0,0|1,0,0]=3 8849 B16R2.163604 CCCCc1cnc2c(cccc2c1)N 271570a_100020621405_100000702407 [1,1,0,0,0,0|1,0,0]=3 8850 B16R2.163604 CCCCc1cnc2c(nccc2c1)O 271570a_100020621405_100010117065 [1,1,0,0,0,0|2,0,0]=4 8851 B16R2.163604 CCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210303 [1,1,0,0,0,0|1,0,0]=3 8852 B16R2.163604 CCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210303 [1,1,0,0,0,0|1,0,0]=3 8853 B16R2.163604 CCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210303 [1,1,0,0,0,0|1,0,0]=3 8854 B16R2.163604 CCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210303 [1,1,0,0,0,0|1,0,0]=3 8855 B16R2.163604 CCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210303 [1,1,0,0,0,0|1,0,0]=3 8856 B16R2.163604 CCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210303 [1,1,0,0,0,0|1,0,0]=3 8857 B16R2.163604 CCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210303 [1,1,0,0,0,0|0,0,0]=2 8858 B16R2.163604 CCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210303 [1,1,0,0,0,0|0,0,0]=2 8859 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210303 [1,1,0,0,0,0|1,0,0]=3 8860 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210303 [1,1,0,0,0,0|1,0,0]=3 8861 B16R2.163604 CCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210303 [1,1,0,0,0,0|1,0,0]=3 8862 B16R2.163604 CCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210303 [1,1,0,0,0,0|1,0,0]=3 8863 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210303 [1,1,0,0,0,0|1,0,0]=3 8864 B16R2.163604 CCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210303 [1,1,0,0,0,0|1,0,0]=3 8865 B16R2.163604 CCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210303 [1,1,0,0,0,0|1,0,0]=3 8866 B16R2.163604 CCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210303 [1,1,0,0,0,0|1,0,0]=3 8867 B16R2.163604 CCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210303 [1,1,0,0,0,0|1,0,0]=3 8868 B16R2.163604 CCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210303 [1,1,0,0,0,0|1,0,0]=3 8869 B16R2.163604 CCCSc1ccc2c(=O)ccoc2c1 62a_100000210303_100010062221 [1,1,0,0,0,0|1,1,0]=4 8870 B16R2.163604 CCCSc1ccc2c(cccc2c1)N 62a_100000210303_100010090037 [1,1,0,0,0,0|0,1,0]=3 8871 B16R2.163604 CCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210303 [1,1,0,0,0,0|0,1,0]=3 8872 B16R2.163604 CCCSc1ccc2c(cccc2c1)O 62a_100000210303_100010202202 [1,1,0,0,0,0|0,1,0]=3 8873 B16R2.163604 CCCSc1ccc2c(ccnc2c1)C 62a_100000210303_100010132309 [1,1,0,0,0,0|1,1,0]=4 8874 B16R2.163604 CCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000210303 [1,1,0,0,0,0|1,1,0]=4 8875 B16R2.163604 CCCSc1ccc2c(ccnc2c1)Cl 62a_100000210303_100009996786 [1,1,0,0,0,0|1,1,0]=4 8876 B16R2.163604 CCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210303 [1,1,0,0,0,0|1,1,0]=4 8877 B16R2.163604 CCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000210303 [1,1,0,0,0,0|1,1,0]=4 8878 B16R2.163604 CCCSc1ccc2c(ccnc2c1)O 62a_100000210303_100000756855 [1,1,0,0,0,0|1,1,0]=4 8879 B16R2.163604 CCCSc1ccc2c(nccc2c1)N 62a_100000210303_100000732483 [1,1,0,0,0,0|1,1,0]=4 8880 B16R2.163604 CCCSc1ccc2c(nccc2c1)N 62a_100000732483_100000210303 [1,1,0,0,0,0|1,1,0]=4 8881 B16R2.163604 CCCSc1ccc2c(nccc2c1)O 62a_100000210303_100000760485 [1,1,0,0,0,0|1,1,0]=4 8882 B16R2.163604 CCCSc1cnc2c(cccc2c1)Br 62a_100000210303_100010204298 [1,1,0,0,0,0|1,1,0]=4 8883 B16R2.163604 CCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000210303 [1,1,0,0,0,0|1,1,0]=4 8884 B16R2.163604 CCCSc1cnc2c(cccc2c1)C 62a_100000210303_100009829671 [1,1,0,0,0,0|1,1,0]=4 8885 B16R2.163604 CCCSc1cnc2c(cccc2c1)Cl 62a_100000210303_100000759377 [1,1,0,0,0,0|1,1,0]=4 8886 B16R2.163604 CCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000210303 [1,1,0,0,0,0|1,1,0]=4 8887 B16R2.163604 CCCSc1cnc2c(cccc2c1)F 62a_100000210303_100000049890 [1,1,0,0,0,0|1,1,0]=4 8888 B16R2.163604 CCCSc1cnc2c(cccc2c1)N 62a_100000210303_100000702407 [1,1,0,0,0,0|1,1,0]=4 8889 B16R2.163604 COCSc1ccc2c(cccc2c1)N 62a_100000766300_100010090037 [1,1,0,0,0,0|1,1,0]=4 8890 B16R2.163604 COCSc1ccc2c(cccc2c1)N 62a_100010090037_100000766300 [1,1,0,0,0,0|1,1,0]=4 8891 B16R2.163604 COCSc1ccc2c(cccc2c1)O 62a_100000766300_100010202202 [1,1,0,0,0,0|1,1,0]=4 8892 B16R2.163604 CSCNc1ccc2c(cccc2c1)O 34a_100000035793_100011218213 [1,1,0,0,0,0|2,0,0]=4 8893 B16R2.163604 CSCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100011218213 [1,1,0,0,0,0|2,0,0]=4 8894 B16R2.163604 CSCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100011218213 [1,1,0,0,0,0|2,0,0]=4 8895 B16R2.163604 CSCOc1ccc2c(cccc2c1)N 34a_100000034668_100011218213 [1,1,0,0,0,0|1,0,0]=3 8896 B16R2.163604 CSCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100011218213 [1,1,0,0,0,0|2,0,0]=4 8897 B16R2.163604 CSCOc1ccc2c(ccnc2c1)C 34a_200009854145_100011218213 [1,1,0,0,0,0|2,0,0]=4 8898 B16R2.163604 CSCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011218213 [1,1,0,0,0,0|2,0,0]=4 8899 B16R2.163604 CSCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100011218213 [1,1,0,0,0,0|2,0,0]=4 8900 B16R2.163604 CSCOc1cnc2c(cccc2c1)F 34a_100012184956_100011218213 [1,1,0,0,0,0|2,0,0]=4 8901 B16R2.163604 CSCSc1ccc2c(cccc2c1)N 62a_100010090037_100011218213 [1,1,0,0,0,0|1,1,0]=4 8902 B16R2.163604 CSCSc1ccc2c(cccc2c1)N 62a_100011218213_100010090037 [1,1,0,0,0,0|1,1,0]=4 8903 B16R2.163604 CSCSc1ccc2c(cccc2c1)O 62a_100011218213_100010202202 [1,1,0,0,0,0|1,1,0]=4 8904 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCF 34a_200009854145_100011217306 [1,1,0,0,0,0|2,0,0]=4 8905 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCF 7a_200009854145_100011217306 [1,1,0,0,0,0|2,0,0]=4 8906 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCO 34a_200009854145_100000211926 [1,1,0,0,0,0|2,0,0]=4 8907 B16R2.163604 Cc1ccnc2c1ccc(c2)OCCO 7a_200009854145_100000211926 [1,1,0,0,0,0|2,0,0]=4 8908 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100011217306 [1,1,0,0,0,0|2,0,0]=4 8909 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100011217306 [1,1,0,0,0,0|2,0,0]=4 8910 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011217306 [1,1,0,0,0,0|2,0,0]=4 8911 B16R2.163604 FCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011217306 [1,1,0,0,0,0|2,0,0]=4 8912 B16R2.163604 FCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100011217306 [1,1,0,0,0,0|2,0,0]=4 8913 B16R2.163604 FCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100011217306 [1,1,0,0,0,0|2,0,0]=4 8914 B16R2.163604 FCCOc1cnc2c(cccc2c1)F 34a_100012184956_100011217306 [1,1,0,0,0,0|2,0,0]=4 8915 B16R2.163604 FCCOc1cnc2c(cccc2c1)F 7a_100012184956_100011217306 [1,1,0,0,0,0|2,0,0]=4 8916 B16R2.163604 N#CCOc1ccc2c(cccc2c1)N 7a_100000034668_100011215382 [1,1,0,0,0,0|1,0,1]=4 8917 B16R2.163604 Nc1cccc2c1ccc(c2)OCC=O 34a_100000034668_200009817547 [1,1,0,0,0,0|1,0,1]=4 8918 B16R2.163604 Nc1cccc2c1ccc(c2)OCC=O 7a_100000034668_200015260668 [1,1,0,0,0,0|1,0,1]=4 8919 B16R2.163604 Nc1cccc2c1ccc(c2)OCCF 34a_100000034668_100011217306 [1,1,0,0,0,0|1,0,0]=3 8920 B16R2.163604 Nc1cccc2c1ccc(c2)OCCF 7a_100000034668_100011217306 [1,1,0,0,0,0|1,0,0]=3 8921 B16R2.163604 Nc1cccc2c1ccc(c2)OCCO 34a_100000034668_100000211926 [1,1,0,0,0,0|1,0,0]=3 8922 B16R2.163604 Nc1cccc2c1ccc(c2)OCCO 7a_100000034668_100000211926 [1,1,0,0,0,0|1,0,0]=3 8923 B16R2.163604 Nc1cccc2c1ccc(c2)SCCF 62a_100010090037_100011217306 [1,1,0,0,0,0|1,1,0]=4 8924 B16R2.163604 Nc1cccc2c1ccc(c2)SCCF 62a_100011217306_100010090037 [1,1,0,0,0,0|1,1,0]=4 8925 B16R2.163604 Nc1cccc2c1ccc(c2)SCCO 62a_100000211926_100010090037 [1,1,0,0,0,0|1,1,0]=4 8926 B16R2.163604 Nc1cccc2c1ccc(c2)SCCO 62a_100010090037_100000211926 [1,1,0,0,0,0|1,1,0]=4 8927 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCF 34a_100009857879_100011217306 [1,1,0,0,0,0|2,0,0]=4 8928 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCF 7a_100009857879_100011217306 [1,1,0,0,0,0|2,0,0]=4 8929 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCO 34a_100009857879_100000211926 [1,1,0,0,0,0|2,0,0]=4 8930 B16R2.163604 O=c1[nH]ccc2c1ccc(c2)OCCO 7a_100009857879_100000211926 [1,1,0,0,0,0|2,0,0]=4 8931 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCF 34a_200000065989_100011217306 [1,1,0,0,0,0|2,0,0]=4 8932 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCF 7a_200000065989_100011217306 [1,1,0,0,0,0|2,0,0]=4 8933 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCO 34a_200000065989_100000211926 [1,1,0,0,0,0|2,0,0]=4 8934 B16R2.163604 O=c1ccoc2c1ccc(c2)OCCO 7a_200000065989_100000211926 [1,1,0,0,0,0|2,0,0]=4 8935 B16R2.163604 OCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000211926 [1,1,0,0,0,0|2,0,0]=4 8936 B16R2.163604 OCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000211926 [1,1,0,0,0,0|2,0,0]=4 8937 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000211926 [1,1,0,0,0,0|2,0,0]=4 8938 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000211926 [1,1,0,0,0,0|2,0,0]=4 8939 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000211926 [1,1,0,0,0,0|2,0,0]=4 8940 B16R2.163604 OCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000211926 [1,1,0,0,0,0|2,0,0]=4 8941 B16R2.163604 OCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000211926 [1,1,0,0,0,0|2,0,0]=4 8942 B16R2.163604 OCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000211926 [1,1,0,0,0,0|2,0,0]=4 8943 B16R2.163604 OCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000211926 [1,1,0,0,0,0|2,0,0]=4 8944 B16R2.163604 OCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000211926 [1,1,0,0,0,0|2,0,0]=4 8945 B16R2.163604 OCCSc1ccc2c(cccc2c1)O 62a_100000211926_100010202202 [1,1,0,0,0,0|1,1,0]=4 8946 B16R2.163604 Oc1cccc2c1ccc(c2)NCCF 34a_100000035793_100011217306 [1,1,0,0,0,0|2,0,0]=4 8947 B16R2.163604 Oc1cccc2c1ccc(c2)NCCF 7a_100000035793_100011217306 [1,1,0,0,0,0|2,0,0]=4 8948 B16R2.163604 Oc1cccc2c1ccc(c2)SCCF 62a_100011217306_100010202202 [1,1,0,0,0,0|1,1,0]=4 8949 B16R2.5 CC(CCO)Oc1csc2c1cccc2 34a_100000077758_100009893172 [0,1,0,0,1,0|2,0,0]=4 8950 B16R2.5 CC(CCO)Oc1csc2c1cccc2 7a_100000077758_100009893172 [0,1,0,0,1,0|2,0,0]=4 8951 B16R2.5 CCCC(C)Oc1csc2c1cccc2 34a_100000077758_100000766640 [0,1,0,0,1,0|1,0,0]=3 8952 B16R2.5 CCCC(C)Oc1csc2c1cccc2 7a_100000077758_100000766640 [0,1,0,0,1,0|1,0,0]=3 8953 B16R2.5 CCCC(C)Sc1coc2c1cccc2 62a_100000766640_100009812202 [0,1,0,0,1,0|1,1,0]=4 8954 B16R2.5 COCC(C)Oc1csc2c1cccc2 34a_100000077758_100000765312 [0,1,0,0,1,0|2,0,0]=4 8955 B16R2.5 COCC(C)Oc1csc2c1cccc2 7a_100000077758_100000765312 [0,1,0,0,1,0|2,0,0]=4 8956 B16R2.6 BrCCCOCc1csc2c1cccc2 34a_100011217188_200000742921 [0,1,0,0,1,0|2,0,0]=4 8957 B16R2.6 C#CCCCOc1csc2c1cccc2 34a_100000077758_100000695029 [0,1,0,0,1,0|1,0,1]=4 8958 B16R2.6 C#CCCCOc1csc2c1cccc2 7a_100000077758_100011215417 [0,1,0,0,1,0|1,0,1]=4 8959 B16R2.6 C=CCCCOc1csc2c1cccc2 34a_100000077758_100000757094 [0,1,0,0,1,0|1,0,1]=4 8960 B16R2.6 C=CCCCOc1csc2c1cccc2 7a_100000077758_100000757094 [0,1,0,0,1,0|1,0,1]=4 8961 B16R2.6 CC/C=C\COc1csc2c1cccc2 34a_100000077758_100103147603 [0,1,0,0,1,0|1,0,1]=4 8962 B16R2.6 CC/C=C\COc1csc2c1cccc2 7a_100000077758_100103147603 [0,1,0,0,1,0|1,0,1]=4 8963 B16R2.6 CCC#CCOc1csc2c1cccc2 34a_100000077758_100009813939 [0,1,0,0,1,0|1,0,1]=4 8964 B16R2.6 CCC#CCOc1csc2c1cccc2 7a_100000077758_100009813939 [0,1,0,0,1,0|1,0,1]=4 8965 B16R2.6 CCCCC=Cc1coc2c1cccc2 271570a_100016275911_100009812202 [0,1,0,0,1,0|2,0,0]=4 8966 B16R2.6 CCCCCOc1csc2c1cccc2 34a_100000077758_100000718602 [0,1,0,0,1,0|1,0,0]=3 8967 B16R2.6 CCCCCOc1csc2c1cccc2 7a_100000077758_100000210326 [0,1,0,0,1,0|1,0,0]=3 8968 B16R2.6 CCCCCSc1coc2c1cccc2 62a_100000210326_100009812202 [0,1,0,0,1,0|1,1,0]=4 8969 B16R2.6 CCCCNCc1coc2c1cccc2 207a_100000102301_100000688544 [0,1,0,0,1,0|2,0,0]=4 8970 B16R2.6 CCCCNCc1coc2c1cccc2 270004a_100000102301_100000688544 [0,1,0,0,1,0|2,0,0]=4 8971 B16R2.6 CCCCNCc1csc2c1cccc2 207a_100000102301_100000239721 [0,1,0,0,1,0|2,0,0]=4 8972 B16R2.6 CCCCNCc1csc2c1cccc2 2230a_100000102301_200000742921 [0,1,0,0,1,0|2,0,0]=4 8973 B16R2.6 CCCCNCc1csc2c1cccc2 270004a_100000102301_100000239721 [0,1,0,0,1,0|2,0,0]=4 8974 B16R2.6 CCCCNCc1csc2c1cccc2 34a_100000744611_100000210210 [0,1,0,0,1,0|2,0,0]=4 8975 B16R2.6 CCCCOCc1csc2c1cccc2 34a_100000210227_200000742921 [0,1,0,0,1,0|1,0,0]=3 8976 B16R2.6 CCCCOCc1csc2c1cccc2 34a_100011219454_100000210210 [0,1,0,0,1,0|1,0,0]=3 8977 B16R2.6 CCCCOCc1noc2c1cccc2 34a_100000210227_100009813815 [0,1,0,0,1,0|2,0,0]=4 8978 B16R2.6 CCCCOCc1noc2c1cccc2 7a_100000210227_100009813815 [0,1,0,0,1,0|2,0,0]=4 8979 B16R2.6 CCCCSCc1csc2c1cccc2 62a_100000210211_200000742921 [0,1,0,0,1,0|1,1,0]=4 8980 B16R2.6 CCCCSCc1csc2c1cccc2 62a_200000742921_100000210210 [0,1,0,0,1,0|1,1,0]=4 8981 B16R2.6 CCCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210303 [0,1,0,0,1,0|2,0,0]=4 8982 B16R2.6 CCCNCCc1coc2c1cccc2 2230a_100011934666_100000210303 [0,1,0,0,1,0|2,0,0]=4 8983 B16R2.6 CCCNCCc1coc2c1cccc2 34a_100011934666_100000210303 [0,1,0,0,1,0|2,0,0]=4 8984 B16R2.6 CCCOCCc1c[nH]c2c1cccc2 34a_100000210258_100011218569 [0,1,0,0,1,0|2,0,0]=4 8985 B16R2.6 CCCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000210303 [0,1,0,0,1,0|2,0,0]=4 8986 B16R2.6 CCCOCCn1ccc2c1cccc2 34a_100011926976_100000210303 [0,1,0,0,1,0|2,0,0]=4 8987 B16R2.6 CCCSCCc1c[nH]c2c1cccc2 62a_100000210303_100011218569 [0,1,0,0,1,0|2,0,0]=4 8988 B16R2.6 CCNCCCn1ccc2c1cccc2 34a_100000185030_100000210202 [0,1,0,0,1,0|2,0,0]=4 8989 B16R2.6 CCOCCCc1c[nH]c2c1cccc2 34a_100102524900_100000210202 [0,1,0,0,1,0|2,0,0]=4 8990 B16R2.6 CCOCCOc1csc2c1cccc2 34a_100000077758_100000210147 [0,1,0,0,1,0|1,0,0]=3 8991 B16R2.6 CCOCCOc1csc2c1cccc2 7a_100000077758_100011215890 [0,1,0,0,1,0|1,0,0]=3 8992 B16R2.6 CCOCCSc1coc2c1cccc2 62a_100000210147_100009812202 [0,1,0,0,1,0|1,1,0]=4 8993 B16R2.6 CCOCCSc1csc2c1cccc2 62a_100000210147_100009813928 [0,1,0,0,1,0|1,1,0]=4 8994 B16R2.6 CCSCCOc1csc2c1cccc2 34a_100000077758_100000757381 [0,1,0,0,1,0|1,0,0]=3 8995 B16R2.6 CCSCCOc1csc2c1cccc2 7a_100000077758_100000757381 [0,1,0,0,1,0|1,0,0]=3 8996 B16R2.6 CCSCCSc1coc2c1cccc2 62a_100000757381_100009812202 [0,1,0,0,1,0|1,1,0]=4 8997 B16R2.6 CCSCCSc1csc2c1cccc2 62a_100000757381_100009813928 [0,1,0,0,1,0|1,1,0]=4 8998 B16R2.6 COCCCOc1csc2c1cccc2 34a_100000077758_100000740836 [0,1,0,0,1,0|1,0,0]=3 8999 B16R2.6 COCCCOc1csc2c1cccc2 7a_100000077758_100000740836 [0,1,0,0,1,0|1,0,0]=3 9000 B16R2.6 COCCCSc1coc2c1cccc2 62a_100000709357_100009812202 [0,1,0,0,1,0|1,1,0]=4 9001 B16R2.6 COCCCSc1csc2c1cccc2 62a_100000709357_100009813928 [0,1,0,0,1,0|1,1,0]=4 9002 B16R2.6 COCCOCc1csc2c1cccc2 34a_100000210237_200000742921 [0,1,0,0,1,0|2,0,0]=4 9003 B16R2.6 COCCOCc1csc2c1cccc2 34a_100011219454_100011201679 [0,1,0,0,1,0|2,0,0]=4 9004 B16R2.6 CSCCOCc1csc2c1cccc2 34a_100000230434_200000742921 [0,1,0,0,1,0|2,0,0]=4 9005 B16R2.6 CSCCOCc1csc2c1cccc2 34a_100011219454_100000212216 [0,1,0,0,1,0|2,0,0]=4 9006 B16R2.6 ClCCCOCc1csc2c1cccc2 34a_100000230001_200000742921 [0,1,0,0,1,0|2,0,0]=4 9007 B16R2.6 FCCCCOc1csc2c1cccc2 34a_100000077758_100000729493 [0,1,0,0,1,0|1,0,0]=3 9008 B16R2.6 FCCCCOc1csc2c1cccc2 7a_100000077758_100000729493 [0,1,0,0,1,0|1,0,0]=3 9009 B16R2.6 FCCCCSc1coc2c1cccc2 62a_100000729493_100009812202 [0,1,0,0,1,0|1,1,0]=4 9010 B16R2.6 FCCCCSc1csc2c1cccc2 62a_100000729493_100009813928 [0,1,0,0,1,0|1,1,0]=4 9011 B16R2.6 FCCCOCc1csc2c1cccc2 34a_100000759539_200000742921 [0,1,0,0,1,0|2,0,0]=4 9012 B16R2.6 FCCCOCc1csc2c1cccc2 34a_100011219454_100011934791 [0,1,0,0,1,0|2,0,0]=4 9013 B16R2.6 N#CCCCOc1csc2c1cccc2 7a_100000077758_100000687738 [0,1,0,0,1,0|1,0,1]=4 9014 B16R2.6 NCCCOCc1csc2c1cccc2 34a_100000182051_200000742921 [0,1,0,0,1,0|2,0,0]=4 9015 B16R2.6 O=CCCCOc1csc2c1cccc2 7a_100000077758_200011292268 [0,1,0,0,1,0|1,0,1]=4 9016 B16R2.6 OCCCCOc1csc2c1cccc2 34a_100000077758_100011216708 [0,1,0,0,1,0|1,0,0]=3 9017 B16R2.6 OCCCCOc1csc2c1cccc2 7a_100000077758_100000210776 [0,1,0,0,1,0|1,0,0]=3 9018 B16R2.6 OCCCCSc1coc2c1cccc2 62a_100000210776_100009812202 [0,1,0,0,1,0|1,1,0]=4 9019 B16R2.6 OCCCCSc1csc2c1cccc2 62a_100000210776_100009813928 [0,1,0,0,1,0|1,1,0]=4 9020 B16R2.6 OCCCOCc1csc2c1cccc2 34a_100011219454_100000230001 [0,1,0,0,1,0|2,0,0]=4 9021 B16R2.14 CCC(=O)COc1csc2c1cccc2 7a_100000077758_100000747405 [0,1,0,0,1,0|1,0,1]=4 9022 B16R2.14 CCC(C)COc1csc2c1cccc2 34a_100000077758_100000748023 [0,1,0,0,1,0|1,0,0]=3 9023 B16R2.14 CCC(C)COc1csc2c1cccc2 7a_100000077758_100000748023 [0,1,0,0,1,0|1,0,0]=3 9024 B16R2.14 CCC(C)CSc1coc2c1cccc2 62a_100000748023_100009812202 [0,1,0,0,1,0|1,1,0]=4 9025 B16R2.14 CCC(O)COc1csc2c1cccc2 34a_100000077758_100011218378 [0,1,0,0,1,0|1,0,0]=3 9026 B16R2.14 CCC(O)COc1csc2c1cccc2 7a_100000077758_100011218378 [0,1,0,0,1,0|1,0,0]=3 9027 B16R2.14 CCC(O)CSc1coc2c1cccc2 62a_100011218378_100009812202 [0,1,0,0,1,0|1,1,0]=4 9028 B16R2.14 CCC(O)CSc1csc2c1cccc2 62a_100011218378_100009813928 [0,1,0,0,1,0|1,1,0]=4 9029 B16R2.14 CC[C@H](C)COc1csc2c1cccc2 34a_100000077758_100009816398 [0,1,0,0,1,0|1,0,0]=3 9030 B16R2.14 CC[C@H](C)COc1csc2c1cccc2 7a_100000077758_100009816398 [0,1,0,0,1,0|1,0,0]=3 9031 B16R2.14 CC[C@H](C)CSc1coc2c1cccc2 62a_100009816398_100009812202 [0,1,0,0,1,0|1,1,0]=4 9032 B16R2.14 C[C@@H](CO)COc1csc2c1cccc2 34a_100000077758_100000059175 [0,1,0,0,1,0|2,0,0]=4 9033 B16R2.14 C[C@@H](CO)COc1csc2c1cccc2 7a_100000077758_100000059175 [0,1,0,0,1,0|2,0,0]=4 9034 B16R2.14 OCC(O)COc1csc2c1cccc2 34a_100000077758_100011219619 [0,1,0,0,1,0|2,0,0]=4 9035 B16R2.14 OCC(O)COc1csc2c1cccc2 7a_100000077758_100011219619 [0,1,0,0,1,0|2,0,0]=4 9036 B16R2.14 OC[C@H](O)COc1csc2c1cccc2 34a_100000077758_100009815848 [0,1,0,0,1,0|2,0,0]=4 9037 B16R2.14 OC[C@H](O)COc1csc2c1cccc2 7a_100000077758_100009815848 [0,1,0,0,1,0|2,0,0]=4 9038 B16R2.14 O[C@@H](CF)COc1csc2c1cccc2 34a_100000077758_100015614560 [0,1,0,0,1,0|2,0,0]=4 9039 B16R2.14 O[C@@H](CF)COc1csc2c1cccc2 7a_100000077758_100015614560 [0,1,0,0,1,0|2,0,0]=4 9040 B16R2.36 C=C(C)CCOc1csc2c1cccc2 34a_100000077758_100000730704 [0,1,0,0,1,0|1,0,1]=4 9041 B16R2.36 C=C(C)CCOc1csc2c1cccc2 7a_100000077758_100000730704 [0,1,0,0,1,0|1,0,1]=4 9042 B16R2.36 CC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000053229 [0,1,0,0,1,0|1,0,1]=4 9043 B16R2.36 CC(C)CCOc1csc2c1cccc2 34a_100000077758_100000210312 [0,1,0,0,1,0|1,0,0]=3 9044 B16R2.36 CC(C)CCOc1csc2c1cccc2 7a_100000077758_100000210626 [0,1,0,0,1,0|1,0,0]=3 9045 B16R2.36 CC(C)CCSc1coc2c1cccc2 62a_100000210312_100009812202 [0,1,0,0,1,0|1,1,0]=4 9046 B16R2.36 CC(C)OCOc1csc2c1cccc2 34a_100000077758_100000709892 [0,1,0,0,1,0|2,0,0]=4 9047 B16R2.36 CC(O)CCOc1csc2c1cccc2 34a_100000077758_100012276601 [0,1,0,0,1,0|1,0,0]=3 9048 B16R2.36 CC(O)CCOc1csc2c1cccc2 7a_100000077758_100012276601 [0,1,0,0,1,0|1,0,0]=3 9049 B16R2.36 CC(O)CCSc1coc2c1cccc2 62a_100012276601_100009812202 [0,1,0,0,1,0|1,1,0]=4 9050 B16R2.36 CC(O)CCSc1csc2c1cccc2 62a_100012276601_100009813928 [0,1,0,0,1,0|1,1,0]=4 9051 B16R2.36 CN(C)CCOc1csc2c1cccc2 7a_100000077758_100000755713 [0,1,0,0,1,0|2,0,0]=4 9052 B16R2.37 CCCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210211 [0,1,0,0,1,0|1,0,1]=4 9053 B16R2.37 CCCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210211 [0,1,0,0,1,0|1,0,1]=4 9054 B16R2.149 CCCCOc1noc2c1cccc2C 34a_100000041175_100000210210 [0,1,0,0,1,0|2,0,0]=4 9055 B16R2.6329 CCCCOC1CC(=O)c2c1cccc2 7a_100000210227_100010208147 [0,1,0,0,1,0|0,0,2]=4 9056 B16R2.6335 CCCCSc1c(oc2c1cccc2)C 62a_100000210211_200010236113 [0,1,0,0,1,0|1,1,0]=4 9057 B16R2.27887 CCCNN=C1C=Cc2c1ccc(c2)Br 4a_100000740057_100010210589 [0,1,0,0,1,0|2,0,0]=4 9058 B16R2.205493 CCCCSc1csc2c1cc(cc2)N 62a_100000210211_100011178648 [0,1,0,0,1,0|1,1,0]=4 9059 B16R2.205493 CCCCSc1csc2c1cc(cc2)N 62a_100011178648_100000210210 [0,1,0,0,1,0|1,1,0]=4 9060 B16R2.205532 CCCCOc1noc2c1c(ccc2)F 34a_100009888067_100000210210 [0,1,0,0,1,0|2,0,0]=4 9061 B16R2.1357 CCC(=O)COc1ccc2ccoc2c1 7a_100000089557_100000747405 [0,1,0,0,1,0|1,0,1]=4 9062 B16R2.1357 CCC(=O)COc1ccc2occc2c1 7a_100000070125_100000747405 [0,1,0,0,1,0|1,0,1]=4 9063 B16R2.1357 CCC(=O)COc1ccc2sccc2c1 7a_100012180905_100000747405 [0,1,0,0,1,0|1,0,1]=4 9064 B16R2.1357 CCC(C)CNc1ccc2ccoc2c1 34a_100000102395_100000748023 [0,1,0,0,1,0|2,0,0]=4 9065 B16R2.1357 CCC(C)CNc1ccc2occc2c1 34a_106430523501_100000748023 [0,1,0,0,1,0|2,0,0]=4 9066 B16R2.1357 CCC(C)CNc1ccc2sccc2c1 34a_100000681076_100000748023 [0,1,0,0,1,0|2,0,0]=4 9067 B16R2.1357 CCC(C)COc1ccc2[nH]ccc2c1 34a_100000756620_100000748023 [0,1,0,0,1,0|1,0,0]=3 9068 B16R2.1357 CCC(C)COc1ccc2cc[nH]c2c1 34a_100000036713_100000748023 [0,1,0,0,1,0|1,0,0]=3 9069 B16R2.1357 CCC(C)COc1ccc2ccoc2c1 34a_100000089557_100000748023 [0,1,0,0,1,0|1,0,0]=3 9070 B16R2.1357 CCC(C)COc1ccc2ccoc2c1 7a_100000089557_100000748023 [0,1,0,0,1,0|1,0,0]=3 9071 B16R2.1357 CCC(C)COc1ccc2cnoc2c1 34a_100000098417_100000748023 [0,1,0,0,1,0|2,0,0]=4 9072 B16R2.1357 CCC(C)COc1ccc2cnoc2c1 7a_100000098417_100000748023 [0,1,0,0,1,0|2,0,0]=4 9073 B16R2.1357 CCC(C)COc1ccc2ncsc2c1 34a_100011995850_100000748023 [0,1,0,0,1,0|2,0,0]=4 9074 B16R2.1357 CCC(C)COc1ccc2ncsc2c1 7a_100011995850_100000748023 [0,1,0,0,1,0|2,0,0]=4 9075 B16R2.1357 CCC(C)COc1ccc2occc2c1 34a_100000070125_100000748023 [0,1,0,0,1,0|1,0,0]=3 9076 B16R2.1357 CCC(C)COc1ccc2occc2c1 7a_100000070125_100000748023 [0,1,0,0,1,0|1,0,0]=3 9077 B16R2.1357 CCC(C)COc1ccc2sccc2c1 34a_100012180905_100000748023 [0,1,0,0,1,0|1,0,0]=3 9078 B16R2.1357 CCC(C)COc1ccc2sccc2c1 7a_100012180905_100000748023 [0,1,0,0,1,0|1,0,0]=3 9079 B16R2.1357 CCC(C)COc1ccc2scnc2c1 34a_200009850626_100000748023 [0,1,0,0,1,0|2,0,0]=4 9080 B16R2.1357 CCC(C)COc1ccc2scnc2c1 7a_200009850626_100000748023 [0,1,0,0,1,0|2,0,0]=4 9081 B16R2.1357 CCC(C)COc1ccn2ccnc2c1 34a_100009863278_100000748023 [0,1,0,0,1,0|2,0,0]=4 9082 B16R2.1357 CCC(C)COc1cnc2[nH]ccc2c1 34a_100000087691_100000748023 [0,1,0,0,1,0|2,0,0]=4 9083 B16R2.1357 CCC(C)CSc1ccc2[nH]ccc2c1 62a_100000748023_100000035808 [0,1,0,0,1,0|1,1,0]=4 9084 B16R2.1357 CCC(C)CSc1ccc2c(c1)C=CC2 62a_100000748023_100009814306 [0,1,0,0,1,0|0,1,1]=4 9085 B16R2.1357 CCC(C)CSc1ccc2c(c1)C=CC2 62a_100009814306_100000748023 [0,1,0,0,1,0|0,1,1]=4 9086 B16R2.1357 CCC(C)CSc1ccc2c(c1)CC=C2 62a_100000748023_200009818231 [0,1,0,0,1,0|0,1,1]=4 9087 B16R2.1357 CCC(C)CSc1ccc2c(c1)CC=C2 62a_200009818231_100000748023 [0,1,0,0,1,0|0,1,1]=4 9088 B16R2.1357 CCC(C)CSc1ccc2cc[nH]c2c1 62a_100000748023_100000743809 [0,1,0,0,1,0|1,1,0]=4 9089 B16R2.1357 CCC(C)CSc1ccc2ccoc2c1 62a_100000748023_100000759542 [0,1,0,0,1,0|1,1,0]=4 9090 B16R2.1357 CCC(C)CSc1ccc2occc2c1 62a_100000748023_100000691453 [0,1,0,0,1,0|1,1,0]=4 9091 B16R2.1357 CCC(O)CNc1ccc2ccoc2c1 34a_100000102395_100011218378 [0,1,0,0,1,0|2,0,0]=4 9092 B16R2.1357 CCC(O)CNc1ccc2occc2c1 34a_106430523501_100011218378 [0,1,0,0,1,0|2,0,0]=4 9093 B16R2.1357 CCC(O)CNc1ccc2sccc2c1 34a_100000681076_100011218378 [0,1,0,0,1,0|2,0,0]=4 9094 B16R2.1357 CCC(O)COc1ccc2[nH]ccc2c1 34a_100000756620_100011218378 [0,1,0,0,1,0|1,0,0]=3 9095 B16R2.1357 CCC(O)COc1ccc2cc[nH]c2c1 34a_100000036713_100011218378 [0,1,0,0,1,0|1,0,0]=3 9096 B16R2.1357 CCC(O)COc1ccc2ccoc2c1 34a_100000089557_100011218378 [0,1,0,0,1,0|1,0,0]=3 9097 B16R2.1357 CCC(O)COc1ccc2ccoc2c1 7a_100000089557_100011218378 [0,1,0,0,1,0|1,0,0]=3 9098 B16R2.1357 CCC(O)COc1ccc2cnoc2c1 34a_100000098417_100011218378 [0,1,0,0,1,0|2,0,0]=4 9099 B16R2.1357 CCC(O)COc1ccc2cnoc2c1 7a_100000098417_100011218378 [0,1,0,0,1,0|2,0,0]=4 9100 B16R2.1357 CCC(O)COc1ccc2ncsc2c1 34a_100011995850_100011218378 [0,1,0,0,1,0|2,0,0]=4 9101 B16R2.1357 CCC(O)COc1ccc2ncsc2c1 7a_100011995850_100011218378 [0,1,0,0,1,0|2,0,0]=4 9102 B16R2.1357 CCC(O)COc1ccc2occc2c1 34a_100000070125_100011218378 [0,1,0,0,1,0|1,0,0]=3 9103 B16R2.1357 CCC(O)COc1ccc2occc2c1 7a_100000070125_100011218378 [0,1,0,0,1,0|1,0,0]=3 9104 B16R2.1357 CCC(O)COc1ccc2sccc2c1 34a_100012180905_100011218378 [0,1,0,0,1,0|1,0,0]=3 9105 B16R2.1357 CCC(O)COc1ccc2sccc2c1 7a_100012180905_100011218378 [0,1,0,0,1,0|1,0,0]=3 9106 B16R2.1357 CCC(O)COc1ccc2scnc2c1 34a_200009850626_100011218378 [0,1,0,0,1,0|2,0,0]=4 9107 B16R2.1357 CCC(O)COc1ccc2scnc2c1 7a_200009850626_100011218378 [0,1,0,0,1,0|2,0,0]=4 9108 B16R2.1357 CCC(O)COc1ccn2ccnc2c1 34a_100009863278_100011218378 [0,1,0,0,1,0|2,0,0]=4 9109 B16R2.1357 CCC(O)COc1cnc2[nH]ccc2c1 34a_100000087691_100011218378 [0,1,0,0,1,0|2,0,0]=4 9110 B16R2.1357 CCC(O)CSc1ccc2[nH]ccc2c1 62a_100011218378_100000035808 [0,1,0,0,1,0|1,1,0]=4 9111 B16R2.1357 CCC(O)CSc1ccc2c(c1)C=CC2 62a_100009814306_100011218378 [0,1,0,0,1,0|0,1,1]=4 9112 B16R2.1357 CCC(O)CSc1ccc2c(c1)C=CC2 62a_100011218378_100009814306 [0,1,0,0,1,0|0,1,1]=4 9113 B16R2.1357 CCC(O)CSc1ccc2c(c1)CC=C2 62a_100011218378_200009818231 [0,1,0,0,1,0|0,1,1]=4 9114 B16R2.1357 CCC(O)CSc1ccc2c(c1)CC=C2 62a_200009818231_100011218378 [0,1,0,0,1,0|0,1,1]=4 9115 B16R2.1357 CCC(O)CSc1ccc2cc[nH]c2c1 62a_100011218378_100000743809 [0,1,0,0,1,0|1,1,0]=4 9116 B16R2.1357 CCC(O)CSc1ccc2ccoc2c1 62a_100011218378_100000759542 [0,1,0,0,1,0|1,1,0]=4 9117 B16R2.1357 CCC(O)CSc1ccc2ccsc2c1 62a_100011218378_100009888917 [0,1,0,0,1,0|1,1,0]=4 9118 B16R2.1357 CCC(O)CSc1ccc2cscc2c1 62a_100011218378_200010760811 [0,1,0,0,1,0|1,1,0]=4 9119 B16R2.1357 CCC(O)CSc1ccc2occc2c1 62a_100011218378_100000691453 [0,1,0,0,1,0|1,1,0]=4 9120 B16R2.1357 CCC(O)CSc1ccc2sccc2c1 62a_100011218378_100009814439 [0,1,0,0,1,0|1,1,0]=4 9121 B16R2.1357 CC[C@H](C)CNc1ccc2ccoc2c1 34a_100000102395_100009816398 [0,1,0,0,1,0|2,0,0]=4 9122 B16R2.1357 CC[C@H](C)CNc1ccc2occc2c1 34a_106430523501_100009816398 [0,1,0,0,1,0|2,0,0]=4 9123 B16R2.1357 CC[C@H](C)CNc1ccc2sccc2c1 34a_100000681076_100009816398 [0,1,0,0,1,0|2,0,0]=4 9124 B16R2.1357 CC[C@H](C)COc1ccc2[nH]ccc2c1 34a_100000756620_100009816398 [0,1,0,0,1,0|1,0,0]=3 9125 B16R2.1357 CC[C@H](C)COc1ccc2cc[nH]c2c1 34a_100000036713_100009816398 [0,1,0,0,1,0|1,0,0]=3 9126 B16R2.1357 CC[C@H](C)COc1ccc2ccoc2c1 34a_100000089557_100009816398 [0,1,0,0,1,0|1,0,0]=3 9127 B16R2.1357 CC[C@H](C)COc1ccc2ccoc2c1 7a_100000089557_100009816398 [0,1,0,0,1,0|1,0,0]=3 9128 B16R2.1357 CC[C@H](C)COc1ccc2cnoc2c1 34a_100000098417_100009816398 [0,1,0,0,1,0|2,0,0]=4 9129 B16R2.1357 CC[C@H](C)COc1ccc2cnoc2c1 7a_100000098417_100009816398 [0,1,0,0,1,0|2,0,0]=4 9130 B16R2.1357 CC[C@H](C)COc1ccc2ncsc2c1 34a_100011995850_100009816398 [0,1,0,0,1,0|2,0,0]=4 9131 B16R2.1357 CC[C@H](C)COc1ccc2ncsc2c1 7a_100011995850_100009816398 [0,1,0,0,1,0|2,0,0]=4 9132 B16R2.1357 CC[C@H](C)COc1ccc2occc2c1 34a_100000070125_100009816398 [0,1,0,0,1,0|1,0,0]=3 9133 B16R2.1357 CC[C@H](C)COc1ccc2occc2c1 7a_100000070125_100009816398 [0,1,0,0,1,0|1,0,0]=3 9134 B16R2.1357 CC[C@H](C)COc1ccc2sccc2c1 34a_100012180905_100009816398 [0,1,0,0,1,0|1,0,0]=3 9135 B16R2.1357 CC[C@H](C)COc1ccc2sccc2c1 7a_100012180905_100009816398 [0,1,0,0,1,0|1,0,0]=3 9136 B16R2.1357 CC[C@H](C)COc1ccc2scnc2c1 34a_200009850626_100009816398 [0,1,0,0,1,0|2,0,0]=4 9137 B16R2.1357 CC[C@H](C)COc1ccc2scnc2c1 7a_200009850626_100009816398 [0,1,0,0,1,0|2,0,0]=4 9138 B16R2.1357 CC[C@H](C)COc1ccn2ccnc2c1 34a_100009863278_100009816398 [0,1,0,0,1,0|2,0,0]=4 9139 B16R2.1357 CC[C@H](C)COc1cnc2[nH]ccc2c1 34a_100000087691_100009816398 [0,1,0,0,1,0|2,0,0]=4 9140 B16R2.1357 CC[C@H](C)CSc1ccc2[nH]ccc2c1 62a_100009816398_100000035808 [0,1,0,0,1,0|1,1,0]=4 9141 B16R2.1357 CC[C@H](C)CSc1ccc2c(c1)C=CC2 62a_100009814306_100009816398 [0,1,0,0,1,0|0,1,1]=4 9142 B16R2.1357 CC[C@H](C)CSc1ccc2c(c1)C=CC2 62a_100009816398_100009814306 [0,1,0,0,1,0|0,1,1]=4 9143 B16R2.1357 CC[C@H](C)CSc1ccc2c(c1)CC=C2 62a_100009816398_200009818231 [0,1,0,0,1,0|0,1,1]=4 9144 B16R2.1357 CC[C@H](C)CSc1ccc2c(c1)CC=C2 62a_200009818231_100009816398 [0,1,0,0,1,0|0,1,1]=4 9145 B16R2.1357 CC[C@H](C)CSc1ccc2cc[nH]c2c1 62a_100009816398_100000743809 [0,1,0,0,1,0|1,1,0]=4 9146 B16R2.1357 CC[C@H](C)CSc1ccc2ccoc2c1 62a_100009816398_100000759542 [0,1,0,0,1,0|1,1,0]=4 9147 B16R2.1357 CC[C@H](C)CSc1ccc2occc2c1 62a_100009816398_100000691453 [0,1,0,0,1,0|1,1,0]=4 9148 B16R2.1357 C[C@@H](CO)COc1ccc2[nH]ccc2c1 34a_100000756620_100000059175 [0,1,0,0,1,0|2,0,0]=4 9149 B16R2.1357 C[C@@H](CO)COc1ccc2cc[nH]c2c1 34a_100000036713_100000059175 [0,1,0,0,1,0|2,0,0]=4 9150 B16R2.1357 C[C@@H](CO)COc1ccc2ccoc2c1 34a_100000089557_100000059175 [0,1,0,0,1,0|2,0,0]=4 9151 B16R2.1357 C[C@@H](CO)COc1ccc2ccoc2c1 7a_100000089557_100000059175 [0,1,0,0,1,0|2,0,0]=4 9152 B16R2.1357 C[C@@H](CO)COc1ccc2occc2c1 34a_100000070125_100000059175 [0,1,0,0,1,0|2,0,0]=4 9153 B16R2.1357 C[C@@H](CO)COc1ccc2occc2c1 7a_100000070125_100000059175 [0,1,0,0,1,0|2,0,0]=4 9154 B16R2.1357 C[C@@H](CO)COc1ccc2sccc2c1 34a_100012180905_100000059175 [0,1,0,0,1,0|2,0,0]=4 9155 B16R2.1357 C[C@@H](CO)COc1ccc2sccc2c1 7a_100012180905_100000059175 [0,1,0,0,1,0|2,0,0]=4 9156 B16R2.1357 OCC(O)COc1ccc2[nH]ccc2c1 34a_100000756620_100011219619 [0,1,0,0,1,0|2,0,0]=4 9157 B16R2.1357 OCC(O)COc1ccc2cc[nH]c2c1 34a_100000036713_100011219619 [0,1,0,0,1,0|2,0,0]=4 9158 B16R2.1357 OCC(O)COc1ccc2ccoc2c1 34a_100000089557_100011219619 [0,1,0,0,1,0|2,0,0]=4 9159 B16R2.1357 OCC(O)COc1ccc2ccoc2c1 7a_100000089557_100011219619 [0,1,0,0,1,0|2,0,0]=4 9160 B16R2.1357 OCC(O)COc1ccc2occc2c1 34a_100000070125_100011219619 [0,1,0,0,1,0|2,0,0]=4 9161 B16R2.1357 OCC(O)COc1ccc2occc2c1 7a_100000070125_100011219619 [0,1,0,0,1,0|2,0,0]=4 9162 B16R2.1357 OCC(O)COc1ccc2sccc2c1 34a_100012180905_100011219619 [0,1,0,0,1,0|2,0,0]=4 9163 B16R2.1357 OCC(O)COc1ccc2sccc2c1 7a_100012180905_100011219619 [0,1,0,0,1,0|2,0,0]=4 9164 B16R2.1357 OC[C@H](O)COc1ccc2[nH]ccc2c1 34a_100000756620_100009815848 [0,1,0,0,1,0|2,0,0]=4 9165 B16R2.1357 OC[C@H](O)COc1ccc2cc[nH]c2c1 34a_100000036713_100009815848 [0,1,0,0,1,0|2,0,0]=4 9166 B16R2.1357 OC[C@H](O)COc1ccc2ccoc2c1 34a_100000089557_100009815848 [0,1,0,0,1,0|2,0,0]=4 9167 B16R2.1357 OC[C@H](O)COc1ccc2ccoc2c1 7a_100000089557_100009815848 [0,1,0,0,1,0|2,0,0]=4 9168 B16R2.1357 OC[C@H](O)COc1ccc2occc2c1 34a_100000070125_100009815848 [0,1,0,0,1,0|2,0,0]=4 9169 B16R2.1357 OC[C@H](O)COc1ccc2occc2c1 7a_100000070125_100009815848 [0,1,0,0,1,0|2,0,0]=4 9170 B16R2.1357 OC[C@H](O)COc1ccc2sccc2c1 34a_100012180905_100009815848 [0,1,0,0,1,0|2,0,0]=4 9171 B16R2.1357 OC[C@H](O)COc1ccc2sccc2c1 7a_100012180905_100009815848 [0,1,0,0,1,0|2,0,0]=4 9172 B16R2.1357 O[C@@H](CF)COc1ccc2[nH]ccc2c1 34a_100000756620_100015614560 [0,1,0,0,1,0|2,0,0]=4 9173 B16R2.1357 O[C@@H](CF)COc1ccc2cc[nH]c2c1 34a_100000036713_100015614560 [0,1,0,0,1,0|2,0,0]=4 9174 B16R2.1357 O[C@@H](CF)COc1ccc2ccoc2c1 34a_100000089557_100015614560 [0,1,0,0,1,0|2,0,0]=4 9175 B16R2.1357 O[C@@H](CF)COc1ccc2ccoc2c1 7a_100000089557_100015614560 [0,1,0,0,1,0|2,0,0]=4 9176 B16R2.1357 O[C@@H](CF)COc1ccc2occc2c1 34a_100000070125_100015614560 [0,1,0,0,1,0|2,0,0]=4 9177 B16R2.1357 O[C@@H](CF)COc1ccc2occc2c1 7a_100000070125_100015614560 [0,1,0,0,1,0|2,0,0]=4 9178 B16R2.1357 O[C@@H](CF)COc1ccc2sccc2c1 34a_100012180905_100015614560 [0,1,0,0,1,0|2,0,0]=4 9179 B16R2.1357 O[C@@H](CF)COc1ccc2sccc2c1 7a_100012180905_100015614560 [0,1,0,0,1,0|2,0,0]=4 9180 B16R2.2089 CCCCOc1ccc2[nH]ncc2c1Cl 7a_100009844731_100000210211 [0,1,0,0,1,0|2,0,0]=4 9181 B16R2.2089 CCCCSc1ccc2[nH]ccc2c1C 62a_100000210211_100010731972 [0,1,0,0,1,0|1,1,0]=4 9182 B16R2.2089 CCCCSc1ccc2[nH]ccc2c1F 62a_100000210211_100000700836 [0,1,0,0,1,0|1,1,0]=4 9183 B16R2.2089 CCCCSc1ccc2[nH]ccc2c1F 62a_100000700836_100000210210 [0,1,0,0,1,0|1,1,0]=4 9184 B16R2.2089 CCCCSc1ccc2cc[nH]c2c1C 62a_100000210211_100009816929 [0,1,0,0,1,0|1,1,0]=4 9185 B16R2.2122 CCCCC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_100000210211 [0,1,0,0,1,0|2,0,0]=4 9186 B16R2.2122 CCCCC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_100000210211 [0,1,0,0,1,0|2,0,0]=4 9187 B16R2.2122 CCCCC(=O)c1ccc2ccoc2c1 1458a_100000077109_100000210211 [0,1,0,0,1,0|2,0,0]=4 9188 B16R2.2122 CCCCC(=O)c1ccc2ccsc2c1 1458a_100000045399_100000210211 [0,1,0,0,1,0|2,0,0]=4 9189 B16R2.2122 CCCCC(=O)c1ccc2occc2c1 1458a_100000039204_100000210211 [0,1,0,0,1,0|2,0,0]=4 9190 B16R2.2122 CCCCC(=O)c1ccc2sccc2c1 1458a_100000766740_100000210211 [0,1,0,0,1,0|2,0,0]=4 9191 B16R2.2151 CC(CCO)Oc1ccc2[nH]ccc2c1 34a_100000756620_100009893172 [0,1,0,0,1,0|2,0,0]=4 9192 B16R2.2151 CC(CCO)Oc1ccc2cc[nH]c2c1 34a_100000036713_100009893172 [0,1,0,0,1,0|2,0,0]=4 9193 B16R2.2151 CC(CCO)Oc1ccc2ccoc2c1 34a_100000089557_100009893172 [0,1,0,0,1,0|2,0,0]=4 9194 B16R2.2151 CC(CCO)Oc1ccc2ccoc2c1 7a_100000089557_100009893172 [0,1,0,0,1,0|2,0,0]=4 9195 B16R2.2151 CC(CCO)Oc1ccc2occc2c1 34a_100000070125_100009893172 [0,1,0,0,1,0|2,0,0]=4 9196 B16R2.2151 CC(CCO)Oc1ccc2occc2c1 7a_100000070125_100009893172 [0,1,0,0,1,0|2,0,0]=4 9197 B16R2.2151 CC(CCO)Oc1ccc2sccc2c1 34a_100012180905_100009893172 [0,1,0,0,1,0|2,0,0]=4 9198 B16R2.2151 CC(CCO)Oc1ccc2sccc2c1 7a_100012180905_100009893172 [0,1,0,0,1,0|2,0,0]=4 9199 B16R2.2151 CCCC(C)Nc1ccc2ccoc2c1 34a_100000102395_100000766640 [0,1,0,0,1,0|2,0,0]=4 9200 B16R2.2151 CCCC(C)Nc1ccc2occc2c1 34a_106430523501_100000766640 [0,1,0,0,1,0|2,0,0]=4 9201 B16R2.2151 CCCC(C)Nc1ccc2sccc2c1 34a_100000681076_100000766640 [0,1,0,0,1,0|2,0,0]=4 9202 B16R2.2151 CCCC(C)Oc1ccc2[nH]ccc2c1 34a_100000756620_100000766640 [0,1,0,0,1,0|1,0,0]=3 9203 B16R2.2151 CCCC(C)Oc1ccc2cc[nH]c2c1 34a_100000036713_100000766640 [0,1,0,0,1,0|1,0,0]=3 9204 B16R2.2151 CCCC(C)Oc1ccc2ccoc2c1 34a_100000089557_100000766640 [0,1,0,0,1,0|1,0,0]=3 9205 B16R2.2151 CCCC(C)Oc1ccc2ccoc2c1 7a_100000089557_100000766640 [0,1,0,0,1,0|1,0,0]=3 9206 B16R2.2151 CCCC(C)Oc1ccc2cnoc2c1 34a_100000098417_100000766640 [0,1,0,0,1,0|2,0,0]=4 9207 B16R2.2151 CCCC(C)Oc1ccc2cnoc2c1 7a_100000098417_100000766640 [0,1,0,0,1,0|2,0,0]=4 9208 B16R2.2151 CCCC(C)Oc1ccc2ncsc2c1 34a_100011995850_100000766640 [0,1,0,0,1,0|2,0,0]=4 9209 B16R2.2151 CCCC(C)Oc1ccc2ncsc2c1 7a_100011995850_100000766640 [0,1,0,0,1,0|2,0,0]=4 9210 B16R2.2151 CCCC(C)Oc1ccc2occc2c1 34a_100000070125_100000766640 [0,1,0,0,1,0|1,0,0]=3 9211 B16R2.2151 CCCC(C)Oc1ccc2occc2c1 7a_100000070125_100000766640 [0,1,0,0,1,0|1,0,0]=3 9212 B16R2.2151 CCCC(C)Oc1ccc2sccc2c1 34a_100012180905_100000766640 [0,1,0,0,1,0|1,0,0]=3 9213 B16R2.2151 CCCC(C)Oc1ccc2sccc2c1 7a_100012180905_100000766640 [0,1,0,0,1,0|1,0,0]=3 9214 B16R2.2151 CCCC(C)Oc1ccc2scnc2c1 34a_200009850626_100000766640 [0,1,0,0,1,0|2,0,0]=4 9215 B16R2.2151 CCCC(C)Oc1ccc2scnc2c1 7a_200009850626_100000766640 [0,1,0,0,1,0|2,0,0]=4 9216 B16R2.2151 CCCC(C)Oc1ccn2ccnc2c1 34a_100009863278_100000766640 [0,1,0,0,1,0|2,0,0]=4 9217 B16R2.2151 CCCC(C)Oc1cnc2[nH]ccc2c1 34a_100000087691_100000766640 [0,1,0,0,1,0|2,0,0]=4 9218 B16R2.2151 CCCC(C)Sc1ccc2[nH]ccc2c1 62a_100000766640_100000035808 [0,1,0,0,1,0|1,1,0]=4 9219 B16R2.2151 CCCC(C)Sc1ccc2c(c1)C=CC2 62a_100000766640_100009814306 [0,1,0,0,1,0|0,1,1]=4 9220 B16R2.2151 CCCC(C)Sc1ccc2c(c1)C=CC2 62a_100009814306_100000766640 [0,1,0,0,1,0|0,1,1]=4 9221 B16R2.2151 CCCC(C)Sc1ccc2c(c1)CC=C2 62a_100000766640_200009818231 [0,1,0,0,1,0|0,1,1]=4 9222 B16R2.2151 CCCC(C)Sc1ccc2c(c1)CC=C2 62a_200009818231_100000766640 [0,1,0,0,1,0|0,1,1]=4 9223 B16R2.2151 CCCC(C)Sc1ccc2cc[nH]c2c1 62a_100000766640_100000743809 [0,1,0,0,1,0|1,1,0]=4 9224 B16R2.2151 CCCC(C)Sc1ccc2ccoc2c1 62a_100000766640_100000759542 [0,1,0,0,1,0|1,1,0]=4 9225 B16R2.2151 CCCC(C)Sc1ccc2occc2c1 62a_100000766640_100000691453 [0,1,0,0,1,0|1,1,0]=4 9226 B16R2.2151 COCC(C)Oc1ccc2[nH]ccc2c1 34a_100000756620_100000765312 [0,1,0,0,1,0|2,0,0]=4 9227 B16R2.2151 COCC(C)Oc1ccc2cc[nH]c2c1 34a_100000036713_100000765312 [0,1,0,0,1,0|2,0,0]=4 9228 B16R2.2151 COCC(C)Oc1ccc2ccoc2c1 34a_100000089557_100000765312 [0,1,0,0,1,0|2,0,0]=4 9229 B16R2.2151 COCC(C)Oc1ccc2ccoc2c1 7a_100000089557_100000765312 [0,1,0,0,1,0|2,0,0]=4 9230 B16R2.2151 COCC(C)Oc1ccc2occc2c1 34a_100000070125_100000765312 [0,1,0,0,1,0|2,0,0]=4 9231 B16R2.2151 COCC(C)Oc1ccc2occc2c1 7a_100000070125_100000765312 [0,1,0,0,1,0|2,0,0]=4 9232 B16R2.2151 COCC(C)Oc1ccc2sccc2c1 34a_100012180905_100000765312 [0,1,0,0,1,0|2,0,0]=4 9233 B16R2.2151 COCC(C)Oc1ccc2sccc2c1 7a_100012180905_100000765312 [0,1,0,0,1,0|2,0,0]=4 9234 B16R2.3136 C#CCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000695029 [0,1,0,0,1,0|1,0,1]=4 9235 B16R2.3136 C#CCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000695029 [0,1,0,0,1,0|1,0,1]=4 9236 B16R2.3136 C#CCCCOc1ccc2ccoc2c1 34a_100000089557_100000695029 [0,1,0,0,1,0|1,0,1]=4 9237 B16R2.3136 C#CCCCOc1ccc2ccoc2c1 7a_100000089557_100011215417 [0,1,0,0,1,0|1,0,1]=4 9238 B16R2.3136 C#CCCCOc1ccc2occc2c1 34a_100000070125_100000695029 [0,1,0,0,1,0|1,0,1]=4 9239 B16R2.3136 C#CCCCOc1ccc2occc2c1 7a_100000070125_100011215417 [0,1,0,0,1,0|1,0,1]=4 9240 B16R2.3136 C#CCCCOc1ccc2sccc2c1 34a_100012180905_100000695029 [0,1,0,0,1,0|1,0,1]=4 9241 B16R2.3136 C#CCCCOc1ccc2sccc2c1 7a_100012180905_100011215417 [0,1,0,0,1,0|1,0,1]=4 9242 B16R2.3136 C=CCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000757094 [0,1,0,0,1,0|1,0,1]=4 9243 B16R2.3136 C=CCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000757094 [0,1,0,0,1,0|1,0,1]=4 9244 B16R2.3136 C=CCCCOc1ccc2ccoc2c1 34a_100000089557_100000757094 [0,1,0,0,1,0|1,0,1]=4 9245 B16R2.3136 C=CCCCOc1ccc2ccoc2c1 7a_100000089557_100000757094 [0,1,0,0,1,0|1,0,1]=4 9246 B16R2.3136 C=CCCCOc1ccc2occc2c1 34a_100000070125_100000757094 [0,1,0,0,1,0|1,0,1]=4 9247 B16R2.3136 C=CCCCOc1ccc2occc2c1 7a_100000070125_100000757094 [0,1,0,0,1,0|1,0,1]=4 9248 B16R2.3136 C=CCCCOc1ccc2sccc2c1 34a_100012180905_100000757094 [0,1,0,0,1,0|1,0,1]=4 9249 B16R2.3136 C=CCCCOc1ccc2sccc2c1 7a_100012180905_100000757094 [0,1,0,0,1,0|1,0,1]=4 9250 B16R2.3136 CC/C=C\COc1ccc2[nH]ccc2c1 34a_100000756620_100103147603 [0,1,0,0,1,0|1,0,1]=4 9251 B16R2.3136 CC/C=C\COc1ccc2cc[nH]c2c1 34a_100000036713_100103147603 [0,1,0,0,1,0|1,0,1]=4 9252 B16R2.3136 CC/C=C\COc1ccc2ccoc2c1 34a_100000089557_100103147603 [0,1,0,0,1,0|1,0,1]=4 9253 B16R2.3136 CC/C=C\COc1ccc2ccoc2c1 7a_100000089557_100103147603 [0,1,0,0,1,0|1,0,1]=4 9254 B16R2.3136 CC/C=C\COc1ccc2occc2c1 34a_100000070125_100103147603 [0,1,0,0,1,0|1,0,1]=4 9255 B16R2.3136 CC/C=C\COc1ccc2occc2c1 7a_100000070125_100103147603 [0,1,0,0,1,0|1,0,1]=4 9256 B16R2.3136 CC/C=C\COc1ccc2sccc2c1 34a_100012180905_100103147603 [0,1,0,0,1,0|1,0,1]=4 9257 B16R2.3136 CC/C=C\COc1ccc2sccc2c1 7a_100012180905_100103147603 [0,1,0,0,1,0|1,0,1]=4 9258 B16R2.3136 CCC#CCOc1ccc2[nH]ccc2c1 34a_100000756620_100009813939 [0,1,0,0,1,0|1,0,1]=4 9259 B16R2.3136 CCC#CCOc1ccc2cc[nH]c2c1 34a_100000036713_100009813939 [0,1,0,0,1,0|1,0,1]=4 9260 B16R2.3136 CCC#CCOc1ccc2ccoc2c1 34a_100000089557_100009813939 [0,1,0,0,1,0|1,0,1]=4 9261 B16R2.3136 CCC#CCOc1ccc2ccoc2c1 7a_100000089557_100009813939 [0,1,0,0,1,0|1,0,1]=4 9262 B16R2.3136 CCC#CCOc1ccc2occc2c1 34a_100000070125_100009813939 [0,1,0,0,1,0|1,0,1]=4 9263 B16R2.3136 CCC#CCOc1ccc2occc2c1 7a_100000070125_100009813939 [0,1,0,0,1,0|1,0,1]=4 9264 B16R2.3136 CCC#CCOc1ccc2sccc2c1 34a_100012180905_100009813939 [0,1,0,0,1,0|1,0,1]=4 9265 B16R2.3136 CCC#CCOc1ccc2sccc2c1 7a_100012180905_100009813939 [0,1,0,0,1,0|1,0,1]=4 9266 B16R2.3136 CCCCC=Cc1ccc2[nH]ccc2c1 271570a_100016275911_100000211741 [0,1,0,0,1,0|2,0,0]=4 9267 B16R2.3136 CCCCC=Cc1ccc2c(c1)C=CC2 271570a_100016275911_100009814306 [0,1,0,0,1,0|1,0,1]=4 9268 B16R2.3136 CCCCC=Cc1ccc2c(c1)CC=C2 271570a_100016275911_200009818231 [0,1,0,0,1,0|1,0,1]=4 9269 B16R2.3136 CCCCC=Cc1ccc2cc[nH]c2c1 271570a_100016275911_100000743809 [0,1,0,0,1,0|2,0,0]=4 9270 B16R2.3136 CCCCC=Cc1ccc2ccoc2c1 271570a_100016275911_100000759542 [0,1,0,0,1,0|2,0,0]=4 9271 B16R2.3136 CCCCC=Cc1ccc2occc2c1 271570a_100016275911_100012343831 [0,1,0,0,1,0|2,0,0]=4 9272 B16R2.3136 CCCCCNc1ccc2ccoc2c1 34a_100000102395_100000718602 [0,1,0,0,1,0|2,0,0]=4 9273 B16R2.3136 CCCCCNc1ccc2occc2c1 34a_106430523501_100000718602 [0,1,0,0,1,0|2,0,0]=4 9274 B16R2.3136 CCCCCNc1ccc2sccc2c1 34a_100000681076_100000718602 [0,1,0,0,1,0|2,0,0]=4 9275 B16R2.3136 CCCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000718602 [0,1,0,0,1,0|1,0,0]=3 9276 B16R2.3136 CCCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000718602 [0,1,0,0,1,0|1,0,0]=3 9277 B16R2.3136 CCCCCOc1ccc2ccoc2c1 34a_100000089557_100000718602 [0,1,0,0,1,0|1,0,0]=3 9278 B16R2.3136 CCCCCOc1ccc2ccoc2c1 7a_100000089557_100000210326 [0,1,0,0,1,0|1,0,0]=3 9279 B16R2.3136 CCCCCOc1ccc2cnoc2c1 34a_100000098417_100000718602 [0,1,0,0,1,0|2,0,0]=4 9280 B16R2.3136 CCCCCOc1ccc2cnoc2c1 7a_100000098417_100000210326 [0,1,0,0,1,0|2,0,0]=4 9281 B16R2.3136 CCCCCOc1ccc2ncsc2c1 34a_100011995850_100000718602 [0,1,0,0,1,0|2,0,0]=4 9282 B16R2.3136 CCCCCOc1ccc2ncsc2c1 7a_100011995850_100000210326 [0,1,0,0,1,0|2,0,0]=4 9283 B16R2.3136 CCCCCOc1ccc2occc2c1 34a_100000070125_100000718602 [0,1,0,0,1,0|1,0,0]=3 9284 B16R2.3136 CCCCCOc1ccc2occc2c1 7a_100000070125_100000210326 [0,1,0,0,1,0|1,0,0]=3 9285 B16R2.3136 CCCCCOc1ccc2sccc2c1 34a_100012180905_100000718602 [0,1,0,0,1,0|1,0,0]=3 9286 B16R2.3136 CCCCCOc1ccc2sccc2c1 7a_100012180905_100000210326 [0,1,0,0,1,0|1,0,0]=3 9287 B16R2.3136 CCCCCOc1ccc2scnc2c1 34a_200009850626_100000718602 [0,1,0,0,1,0|2,0,0]=4 9288 B16R2.3136 CCCCCOc1ccc2scnc2c1 7a_200009850626_100000210326 [0,1,0,0,1,0|2,0,0]=4 9289 B16R2.3136 CCCCCOc1ccn2ccnc2c1 34a_100009863278_100000718602 [0,1,0,0,1,0|2,0,0]=4 9290 B16R2.3136 CCCCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000718602 [0,1,0,0,1,0|2,0,0]=4 9291 B16R2.3136 CCCCCSc1ccc2[nH]ccc2c1 62a_100000210326_100000035808 [0,1,0,0,1,0|1,1,0]=4 9292 B16R2.3136 CCCCCSc1ccc2c(c1)C=CC2 62a_100000210326_100009814306 [0,1,0,0,1,0|0,1,1]=4 9293 B16R2.3136 CCCCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210326 [0,1,0,0,1,0|0,1,1]=4 9294 B16R2.3136 CCCCCSc1ccc2c(c1)CC=C2 62a_100000210326_200009818231 [0,1,0,0,1,0|0,1,1]=4 9295 B16R2.3136 CCCCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210326 [0,1,0,0,1,0|0,1,1]=4 9296 B16R2.3136 CCCCCSc1ccc2cc[nH]c2c1 62a_100000210326_100000743809 [0,1,0,0,1,0|1,1,0]=4 9297 B16R2.3136 CCCCCSc1ccc2ccoc2c1 62a_100000210326_100000759542 [0,1,0,0,1,0|1,1,0]=4 9298 B16R2.3136 CCCCCSc1ccc2occc2c1 62a_100000210326_100000691453 [0,1,0,0,1,0|1,1,0]=4 9299 B16R2.3136 CCCCNCc1ccc2[nH]ccc2c1 207a_100000102301_100011197475 [0,1,0,0,1,0|2,0,0]=4 9300 B16R2.3136 CCCCNCc1ccc2[nH]ccc2c1 270004a_100000102301_100011197475 [0,1,0,0,1,0|2,0,0]=4 9301 B16R2.3136 CCCCNCc1ccc2cc[nH]c2c1 207a_100000102301_100011218920 [0,1,0,0,1,0|2,0,0]=4 9302 B16R2.3136 CCCCNCc1ccc2cc[nH]c2c1 270004a_100000102301_100011218920 [0,1,0,0,1,0|2,0,0]=4 9303 B16R2.3136 CCCCNCc1ccc2ccsc2c1 207a_100000102301_100000112508 [0,1,0,0,1,0|2,0,0]=4 9304 B16R2.3136 CCCCNCc1ccc2ccsc2c1 270004a_100000102301_100000112508 [0,1,0,0,1,0|2,0,0]=4 9305 B16R2.3136 CCCCNCc1ccc2occc2c1 207a_100000102301_100000040644 [0,1,0,0,1,0|2,0,0]=4 9306 B16R2.3136 CCCCNCc1ccc2occc2c1 2230a_100020591328_100000210211 [0,1,0,0,1,0|2,0,0]=4 9307 B16R2.3136 CCCCNCc1ccc2occc2c1 270004a_100000102301_100000040644 [0,1,0,0,1,0|2,0,0]=4 9308 B16R2.3136 CCCCNCc1ccc2occc2c1 34a_100020591328_100000210210 [0,1,0,0,1,0|2,0,0]=4 9309 B16R2.3136 CCCCNCc1ccc2sccc2c1 207a_100000102301_100000050658 [0,1,0,0,1,0|2,0,0]=4 9310 B16R2.3136 CCCCNCc1ccc2sccc2c1 2230a_100000732457_100000210211 [0,1,0,0,1,0|2,0,0]=4 9311 B16R2.3136 CCCCNCc1ccc2sccc2c1 270004a_100000102301_100000050658 [0,1,0,0,1,0|2,0,0]=4 9312 B16R2.3136 CCCCNCc1ccc2sccc2c1 34a_100000732457_100000210210 [0,1,0,0,1,0|2,0,0]=4 9313 B16R2.3136 CCCCOCc1ccc2ccoc2c1 34a_200009859634_100000210210 [0,1,0,0,1,0|1,0,0]=3 9314 B16R2.3136 CCCCOCc1ccc2ccoc2c1 7a_200009859634_100000210211 [0,1,0,0,1,0|1,0,0]=3 9315 B16R2.3136 CCCCOCc1ccc2ccsc2c1 34a_100010262773_100000210210 [0,1,0,0,1,0|1,0,0]=3 9316 B16R2.3136 CCCCOCc1ccc2ccsc2c1 7a_100010262773_100000210211 [0,1,0,0,1,0|1,0,0]=3 9317 B16R2.3136 CCCCOCc1ccc2cn[nH]c2c1 34a_100000210227_100020605281 [0,1,0,0,1,0|2,0,0]=4 9318 B16R2.3136 CCCCOCc1ccc2cn[nH]c2c1 7a_100000210227_100020605281 [0,1,0,0,1,0|2,0,0]=4 9319 B16R2.3136 CCCCOCc1ccc2ncoc2c1 34a_100000210227_106359897996 [0,1,0,0,1,0|2,0,0]=4 9320 B16R2.3136 CCCCOCc1ccc2ncoc2c1 7a_100000210227_106359897996 [0,1,0,0,1,0|2,0,0]=4 9321 B16R2.3136 CCCCOCc1ccc2ncsc2c1 34a_100000210227_100009847474 [0,1,0,0,1,0|2,0,0]=4 9322 B16R2.3136 CCCCOCc1ccc2ncsc2c1 7a_100000210227_100009847474 [0,1,0,0,1,0|2,0,0]=4 9323 B16R2.3136 CCCCOCc1ccc2occc2c1 34a_100000067418_100000210210 [0,1,0,0,1,0|1,0,0]=3 9324 B16R2.3136 CCCCOCc1ccc2occc2c1 7a_100000067418_100000210211 [0,1,0,0,1,0|1,0,0]=3 9325 B16R2.3136 CCCCOCc1ccc2ocnc2c1 34a_100000210227_200010203175 [0,1,0,0,1,0|2,0,0]=4 9326 B16R2.3136 CCCCOCc1ccc2ocnc2c1 7a_100000210227_200010203175 [0,1,0,0,1,0|2,0,0]=4 9327 B16R2.3136 CCCCOCc1ccc2sccc2c1 34a_100000068000_100000210210 [0,1,0,0,1,0|1,0,0]=3 9328 B16R2.3136 CCCCOCc1ccc2sccc2c1 7a_100000068000_100000210211 [0,1,0,0,1,0|1,0,0]=3 9329 B16R2.3136 CCCCOCc1ccc2scnc2c1 34a_100009883289_100000210210 [0,1,0,0,1,0|2,0,0]=4 9330 B16R2.3136 CCCOCCc1ccc2sccc2c1 34a_100000087132_100000210303 [0,1,0,0,1,0|2,0,0]=4 9331 B16R2.3136 CCCOCCc1ccc2sccc2c1 7a_100000087132_100000210303 [0,1,0,0,1,0|2,0,0]=4 9332 B16R2.3136 CCOCCNc1ccc2ccoc2c1 34a_100000102395_100000210147 [0,1,0,0,1,0|2,0,0]=4 9333 B16R2.3136 CCOCCNc1ccc2occc2c1 34a_106430523501_100000210147 [0,1,0,0,1,0|2,0,0]=4 9334 B16R2.3136 CCOCCNc1ccc2sccc2c1 34a_100000681076_100000210147 [0,1,0,0,1,0|2,0,0]=4 9335 B16R2.3136 CCOCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210147 [0,1,0,0,1,0|1,0,0]=3 9336 B16R2.3136 CCOCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210147 [0,1,0,0,1,0|1,0,0]=3 9337 B16R2.3136 CCOCCOc1ccc2ccoc2c1 34a_100000089557_100000210147 [0,1,0,0,1,0|1,0,0]=3 9338 B16R2.3136 CCOCCOc1ccc2ccoc2c1 7a_100000089557_100011215890 [0,1,0,0,1,0|1,0,0]=3 9339 B16R2.3136 CCOCCOc1ccc2cnoc2c1 34a_100000098417_100000210147 [0,1,0,0,1,0|2,0,0]=4 9340 B16R2.3136 CCOCCOc1ccc2cnoc2c1 7a_100000098417_100011215890 [0,1,0,0,1,0|2,0,0]=4 9341 B16R2.3136 CCOCCOc1ccc2ncsc2c1 34a_100011995850_100000210147 [0,1,0,0,1,0|2,0,0]=4 9342 B16R2.3136 CCOCCOc1ccc2ncsc2c1 7a_100011995850_100011215890 [0,1,0,0,1,0|2,0,0]=4 9343 B16R2.3136 CCOCCOc1ccc2occc2c1 34a_100000070125_100000210147 [0,1,0,0,1,0|1,0,0]=3 9344 B16R2.3136 CCOCCOc1ccc2occc2c1 7a_100000070125_100011215890 [0,1,0,0,1,0|1,0,0]=3 9345 B16R2.3136 CCOCCOc1ccc2sccc2c1 34a_100012180905_100000210147 [0,1,0,0,1,0|1,0,0]=3 9346 B16R2.3136 CCOCCOc1ccc2sccc2c1 7a_100012180905_100011215890 [0,1,0,0,1,0|1,0,0]=3 9347 B16R2.3136 CCOCCOc1ccc2scnc2c1 34a_200009850626_100000210147 [0,1,0,0,1,0|2,0,0]=4 9348 B16R2.3136 CCOCCOc1ccc2scnc2c1 7a_200009850626_100011215890 [0,1,0,0,1,0|2,0,0]=4 9349 B16R2.3136 CCOCCOc1ccn2ccnc2c1 34a_100009863278_100000210147 [0,1,0,0,1,0|2,0,0]=4 9350 B16R2.3136 CCOCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210147 [0,1,0,0,1,0|2,0,0]=4 9351 B16R2.3136 CCOCCSc1ccc2[nH]ccc2c1 62a_100000210147_100000035808 [0,1,0,0,1,0|1,1,0]=4 9352 B16R2.3136 CCOCCSc1ccc2c(c1)C=CC2 62a_100000210147_100009814306 [0,1,0,0,1,0|0,1,1]=4 9353 B16R2.3136 CCOCCSc1ccc2c(c1)C=CC2 62a_100009814306_100011215890 [0,1,0,0,1,0|0,1,1]=4 9354 B16R2.3136 CCOCCSc1ccc2c(c1)CC=C2 62a_100000210147_200009818231 [0,1,0,0,1,0|0,1,1]=4 9355 B16R2.3136 CCOCCSc1ccc2c(c1)CC=C2 62a_200009818231_100011215890 [0,1,0,0,1,0|0,1,1]=4 9356 B16R2.3136 CCOCCSc1ccc2cc[nH]c2c1 62a_100000210147_100000743809 [0,1,0,0,1,0|1,1,0]=4 9357 B16R2.3136 CCOCCSc1ccc2ccoc2c1 62a_100000210147_100000759542 [0,1,0,0,1,0|1,1,0]=4 9358 B16R2.3136 CCOCCSc1ccc2ccsc2c1 62a_100000210147_100009888917 [0,1,0,0,1,0|1,1,0]=4 9359 B16R2.3136 CCOCCSc1ccc2cscc2c1 62a_100000210147_200010760811 [0,1,0,0,1,0|1,1,0]=4 9360 B16R2.3136 CCOCCSc1ccc2occc2c1 62a_100000210147_100000691453 [0,1,0,0,1,0|1,1,0]=4 9361 B16R2.3136 CCOCCSc1ccc2sccc2c1 62a_100000210147_100009814439 [0,1,0,0,1,0|1,1,0]=4 9362 B16R2.3136 CCSCCNc1ccc2ccoc2c1 34a_100000102395_100000757381 [0,1,0,0,1,0|2,0,0]=4 9363 B16R2.3136 CCSCCNc1ccc2occc2c1 34a_106430523501_100000757381 [0,1,0,0,1,0|2,0,0]=4 9364 B16R2.3136 CCSCCNc1ccc2sccc2c1 34a_100000681076_100000757381 [0,1,0,0,1,0|2,0,0]=4 9365 B16R2.3136 CCSCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000757381 [0,1,0,0,1,0|1,0,0]=3 9366 B16R2.3136 CCSCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000757381 [0,1,0,0,1,0|1,0,0]=3 9367 B16R2.3136 CCSCCOc1ccc2ccoc2c1 34a_100000089557_100000757381 [0,1,0,0,1,0|1,0,0]=3 9368 B16R2.3136 CCSCCOc1ccc2ccoc2c1 7a_100000089557_100000757381 [0,1,0,0,1,0|1,0,0]=3 9369 B16R2.3136 CCSCCOc1ccc2cnoc2c1 34a_100000098417_100000757381 [0,1,0,0,1,0|2,0,0]=4 9370 B16R2.3136 CCSCCOc1ccc2cnoc2c1 7a_100000098417_100000757381 [0,1,0,0,1,0|2,0,0]=4 9371 B16R2.3136 CCSCCOc1ccc2ncsc2c1 34a_100011995850_100000757381 [0,1,0,0,1,0|2,0,0]=4 9372 B16R2.3136 CCSCCOc1ccc2ncsc2c1 7a_100011995850_100000757381 [0,1,0,0,1,0|2,0,0]=4 9373 B16R2.3136 CCSCCOc1ccc2occc2c1 34a_100000070125_100000757381 [0,1,0,0,1,0|1,0,0]=3 9374 B16R2.3136 CCSCCOc1ccc2occc2c1 7a_100000070125_100000757381 [0,1,0,0,1,0|1,0,0]=3 9375 B16R2.3136 CCSCCOc1ccc2sccc2c1 34a_100012180905_100000757381 [0,1,0,0,1,0|1,0,0]=3 9376 B16R2.3136 CCSCCOc1ccc2sccc2c1 7a_100012180905_100000757381 [0,1,0,0,1,0|1,0,0]=3 9377 B16R2.3136 CCSCCOc1ccc2scnc2c1 34a_200009850626_100000757381 [0,1,0,0,1,0|2,0,0]=4 9378 B16R2.3136 CCSCCOc1ccc2scnc2c1 7a_200009850626_100000757381 [0,1,0,0,1,0|2,0,0]=4 9379 B16R2.3136 CCSCCOc1ccn2ccnc2c1 34a_100009863278_100000757381 [0,1,0,0,1,0|2,0,0]=4 9380 B16R2.3136 CCSCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000757381 [0,1,0,0,1,0|2,0,0]=4 9381 B16R2.3136 CCSCCSc1ccc2[nH]ccc2c1 62a_100000757381_100000035808 [0,1,0,0,1,0|1,1,0]=4 9382 B16R2.3136 CCSCCSc1ccc2c(c1)C=CC2 62a_100000757381_100009814306 [0,1,0,0,1,0|0,1,1]=4 9383 B16R2.3136 CCSCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000757381 [0,1,0,0,1,0|0,1,1]=4 9384 B16R2.3136 CCSCCSc1ccc2c(c1)CC=C2 62a_100000757381_200009818231 [0,1,0,0,1,0|0,1,1]=4 9385 B16R2.3136 CCSCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000757381 [0,1,0,0,1,0|0,1,1]=4 9386 B16R2.3136 CCSCCSc1ccc2cc[nH]c2c1 62a_100000757381_100000743809 [0,1,0,0,1,0|1,1,0]=4 9387 B16R2.3136 CCSCCSc1ccc2ccoc2c1 62a_100000757381_100000759542 [0,1,0,0,1,0|1,1,0]=4 9388 B16R2.3136 CCSCCSc1ccc2ccsc2c1 62a_100000757381_100009888917 [0,1,0,0,1,0|1,1,0]=4 9389 B16R2.3136 CCSCCSc1ccc2cscc2c1 62a_100000757381_200010760811 [0,1,0,0,1,0|1,1,0]=4 9390 B16R2.3136 CCSCCSc1ccc2occc2c1 62a_100000757381_100000691453 [0,1,0,0,1,0|1,1,0]=4 9391 B16R2.3136 CCSCCSc1ccc2sccc2c1 62a_100000757381_100009814439 [0,1,0,0,1,0|1,1,0]=4 9392 B16R2.3136 COCCCNc1ccc2ccoc2c1 34a_100000102395_100000740836 [0,1,0,0,1,0|2,0,0]=4 9393 B16R2.3136 COCCCNc1ccc2occc2c1 34a_106430523501_100000740836 [0,1,0,0,1,0|2,0,0]=4 9394 B16R2.3136 COCCCNc1ccc2sccc2c1 34a_100000681076_100000740836 [0,1,0,0,1,0|2,0,0]=4 9395 B16R2.3136 COCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000740836 [0,1,0,0,1,0|1,0,0]=3 9396 B16R2.3136 COCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000740836 [0,1,0,0,1,0|1,0,0]=3 9397 B16R2.3136 COCCCOc1ccc2ccoc2c1 34a_100000089557_100000740836 [0,1,0,0,1,0|1,0,0]=3 9398 B16R2.3136 COCCCOc1ccc2ccoc2c1 7a_100000089557_100000740836 [0,1,0,0,1,0|1,0,0]=3 9399 B16R2.3136 COCCCOc1ccc2cnoc2c1 34a_100000098417_100000740836 [0,1,0,0,1,0|2,0,0]=4 9400 B16R2.3136 COCCCOc1ccc2cnoc2c1 7a_100000098417_100000740836 [0,1,0,0,1,0|2,0,0]=4 9401 B16R2.3136 COCCCOc1ccc2ncsc2c1 34a_100011995850_100000740836 [0,1,0,0,1,0|2,0,0]=4 9402 B16R2.3136 COCCCOc1ccc2ncsc2c1 7a_100011995850_100000740836 [0,1,0,0,1,0|2,0,0]=4 9403 B16R2.3136 COCCCOc1ccc2occc2c1 34a_100000070125_100000740836 [0,1,0,0,1,0|1,0,0]=3 9404 B16R2.3136 COCCCOc1ccc2occc2c1 7a_100000070125_100000740836 [0,1,0,0,1,0|1,0,0]=3 9405 B16R2.3136 COCCCOc1ccc2sccc2c1 34a_100012180905_100000740836 [0,1,0,0,1,0|1,0,0]=3 9406 B16R2.3136 COCCCOc1ccc2sccc2c1 7a_100012180905_100000740836 [0,1,0,0,1,0|1,0,0]=3 9407 B16R2.3136 COCCCOc1ccc2scnc2c1 34a_200009850626_100000740836 [0,1,0,0,1,0|2,0,0]=4 9408 B16R2.3136 COCCCOc1ccc2scnc2c1 7a_200009850626_100000740836 [0,1,0,0,1,0|2,0,0]=4 9409 B16R2.3136 COCCCOc1ccn2ccnc2c1 34a_100009863278_100000740836 [0,1,0,0,1,0|2,0,0]=4 9410 B16R2.3136 COCCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000740836 [0,1,0,0,1,0|2,0,0]=4 9411 B16R2.3136 COCCCSc1ccc2[nH]ccc2c1 62a_100000709357_100000035808 [0,1,0,0,1,0|1,1,0]=4 9412 B16R2.3136 COCCCSc1ccc2c(c1)C=CC2 62a_100000709357_100009814306 [0,1,0,0,1,0|0,1,1]=4 9413 B16R2.3136 COCCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000709357 [0,1,0,0,1,0|0,1,1]=4 9414 B16R2.3136 COCCCSc1ccc2c(c1)CC=C2 62a_100000709357_200009818231 [0,1,0,0,1,0|0,1,1]=4 9415 B16R2.3136 COCCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000709357 [0,1,0,0,1,0|0,1,1]=4 9416 B16R2.3136 COCCCSc1ccc2cc[nH]c2c1 62a_100000709357_100000743809 [0,1,0,0,1,0|1,1,0]=4 9417 B16R2.3136 COCCCSc1ccc2ccoc2c1 62a_100000709357_100000759542 [0,1,0,0,1,0|1,1,0]=4 9418 B16R2.3136 COCCCSc1ccc2ccsc2c1 62a_100000709357_100009888917 [0,1,0,0,1,0|1,1,0]=4 9419 B16R2.3136 COCCCSc1ccc2cscc2c1 62a_100000709357_200010760811 [0,1,0,0,1,0|1,1,0]=4 9420 B16R2.3136 COCCCSc1ccc2occc2c1 62a_100000709357_100000691453 [0,1,0,0,1,0|1,1,0]=4 9421 B16R2.3136 COCCCSc1ccc2sccc2c1 62a_100000709357_100009814439 [0,1,0,0,1,0|1,1,0]=4 9422 B16R2.3136 COCCOCc1ccc2ccoc2c1 34a_200009859634_100011201679 [0,1,0,0,1,0|2,0,0]=4 9423 B16R2.3136 COCCOCc1ccc2ccoc2c1 7a_200009859634_100000233755 [0,1,0,0,1,0|2,0,0]=4 9424 B16R2.3136 COCCOCc1ccc2ccsc2c1 34a_100010262773_100011201679 [0,1,0,0,1,0|2,0,0]=4 9425 B16R2.3136 COCCOCc1ccc2ccsc2c1 7a_100010262773_100000233755 [0,1,0,0,1,0|2,0,0]=4 9426 B16R2.3136 COCCOCc1ccc2occc2c1 34a_100000067418_100011201679 [0,1,0,0,1,0|2,0,0]=4 9427 B16R2.3136 COCCOCc1ccc2occc2c1 7a_100000067418_100000233755 [0,1,0,0,1,0|2,0,0]=4 9428 B16R2.3136 COCCOCc1ccc2sccc2c1 34a_100000068000_100011201679 [0,1,0,0,1,0|2,0,0]=4 9429 B16R2.3136 COCCOCc1ccc2sccc2c1 7a_100000068000_100000233755 [0,1,0,0,1,0|2,0,0]=4 9430 B16R2.3136 CSCCOCc1ccc2ccoc2c1 34a_200009859634_100000212216 [0,1,0,0,1,0|2,0,0]=4 9431 B16R2.3136 CSCCOCc1ccc2ccoc2c1 7a_200009859634_100000212216 [0,1,0,0,1,0|2,0,0]=4 9432 B16R2.3136 CSCCOCc1ccc2ccsc2c1 34a_100010262773_100000212216 [0,1,0,0,1,0|2,0,0]=4 9433 B16R2.3136 CSCCOCc1ccc2ccsc2c1 7a_100010262773_100000212216 [0,1,0,0,1,0|2,0,0]=4 9434 B16R2.3136 CSCCOCc1ccc2occc2c1 34a_100000067418_100000212216 [0,1,0,0,1,0|2,0,0]=4 9435 B16R2.3136 CSCCOCc1ccc2occc2c1 7a_100000067418_100000212216 [0,1,0,0,1,0|2,0,0]=4 9436 B16R2.3136 CSCCOCc1ccc2sccc2c1 34a_100000068000_100000212216 [0,1,0,0,1,0|2,0,0]=4 9437 B16R2.3136 CSCCOCc1ccc2sccc2c1 7a_100000068000_100000212216 [0,1,0,0,1,0|2,0,0]=4 9438 B16R2.3136 FCCCCNc1ccc2ccoc2c1 34a_100000102395_100000729493 [0,1,0,0,1,0|2,0,0]=4 9439 B16R2.3136 FCCCCNc1ccc2occc2c1 34a_106430523501_100000729493 [0,1,0,0,1,0|2,0,0]=4 9440 B16R2.3136 FCCCCNc1ccc2sccc2c1 34a_100000681076_100000729493 [0,1,0,0,1,0|2,0,0]=4 9441 B16R2.3136 FCCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000729493 [0,1,0,0,1,0|1,0,0]=3 9442 B16R2.3136 FCCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000729493 [0,1,0,0,1,0|1,0,0]=3 9443 B16R2.3136 FCCCCOc1ccc2ccoc2c1 34a_100000089557_100000729493 [0,1,0,0,1,0|1,0,0]=3 9444 B16R2.3136 FCCCCOc1ccc2ccoc2c1 7a_100000089557_100000729493 [0,1,0,0,1,0|1,0,0]=3 9445 B16R2.3136 FCCCCOc1ccc2cnoc2c1 34a_100000098417_100000729493 [0,1,0,0,1,0|2,0,0]=4 9446 B16R2.3136 FCCCCOc1ccc2cnoc2c1 7a_100000098417_100000729493 [0,1,0,0,1,0|2,0,0]=4 9447 B16R2.3136 FCCCCOc1ccc2ncsc2c1 34a_100011995850_100000729493 [0,1,0,0,1,0|2,0,0]=4 9448 B16R2.3136 FCCCCOc1ccc2ncsc2c1 7a_100011995850_100000729493 [0,1,0,0,1,0|2,0,0]=4 9449 B16R2.3136 FCCCCOc1ccc2occc2c1 34a_100000070125_100000729493 [0,1,0,0,1,0|1,0,0]=3 9450 B16R2.3136 FCCCCOc1ccc2occc2c1 7a_100000070125_100000729493 [0,1,0,0,1,0|1,0,0]=3 9451 B16R2.3136 FCCCCOc1ccc2sccc2c1 34a_100012180905_100000729493 [0,1,0,0,1,0|1,0,0]=3 9452 B16R2.3136 FCCCCOc1ccc2sccc2c1 7a_100012180905_100000729493 [0,1,0,0,1,0|1,0,0]=3 9453 B16R2.3136 FCCCCOc1ccc2scnc2c1 34a_200009850626_100000729493 [0,1,0,0,1,0|2,0,0]=4 9454 B16R2.3136 FCCCCOc1ccc2scnc2c1 7a_200009850626_100000729493 [0,1,0,0,1,0|2,0,0]=4 9455 B16R2.3136 FCCCCOc1ccn2ccnc2c1 34a_100009863278_100000729493 [0,1,0,0,1,0|2,0,0]=4 9456 B16R2.3136 FCCCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000729493 [0,1,0,0,1,0|2,0,0]=4 9457 B16R2.3136 FCCCCSc1ccc2[nH]ccc2c1 62a_100000729493_100000035808 [0,1,0,0,1,0|1,1,0]=4 9458 B16R2.3136 FCCCCSc1ccc2c(c1)C=CC2 62a_100000729493_100009814306 [0,1,0,0,1,0|0,1,1]=4 9459 B16R2.3136 FCCCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000729493 [0,1,0,0,1,0|0,1,1]=4 9460 B16R2.3136 FCCCCSc1ccc2c(c1)CC=C2 62a_100000729493_200009818231 [0,1,0,0,1,0|0,1,1]=4 9461 B16R2.3136 FCCCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000729493 [0,1,0,0,1,0|0,1,1]=4 9462 B16R2.3136 FCCCCSc1ccc2cc[nH]c2c1 62a_100000729493_100000743809 [0,1,0,0,1,0|1,1,0]=4 9463 B16R2.3136 FCCCCSc1ccc2ccoc2c1 62a_100000729493_100000759542 [0,1,0,0,1,0|1,1,0]=4 9464 B16R2.3136 FCCCCSc1ccc2ccsc2c1 62a_100000729493_100009888917 [0,1,0,0,1,0|1,1,0]=4 9465 B16R2.3136 FCCCCSc1ccc2cscc2c1 62a_100000729493_200010760811 [0,1,0,0,1,0|1,1,0]=4 9466 B16R2.3136 FCCCCSc1ccc2occc2c1 62a_100000729493_100000691453 [0,1,0,0,1,0|1,1,0]=4 9467 B16R2.3136 FCCCCSc1ccc2sccc2c1 62a_100000729493_100009814439 [0,1,0,0,1,0|1,1,0]=4 9468 B16R2.3136 FCCCOCc1ccc2ccoc2c1 34a_200009859634_100011934791 [0,1,0,0,1,0|2,0,0]=4 9469 B16R2.3136 FCCCOCc1ccc2ccoc2c1 7a_200009859634_100011934791 [0,1,0,0,1,0|2,0,0]=4 9470 B16R2.3136 FCCCOCc1ccc2ccsc2c1 34a_100010262773_100011934791 [0,1,0,0,1,0|2,0,0]=4 9471 B16R2.3136 FCCCOCc1ccc2ccsc2c1 7a_100010262773_100011934791 [0,1,0,0,1,0|2,0,0]=4 9472 B16R2.3136 FCCCOCc1ccc2occc2c1 34a_100000067418_100011934791 [0,1,0,0,1,0|2,0,0]=4 9473 B16R2.3136 FCCCOCc1ccc2occc2c1 7a_100000067418_100011934791 [0,1,0,0,1,0|2,0,0]=4 9474 B16R2.3136 FCCCOCc1ccc2sccc2c1 34a_100000068000_100011934791 [0,1,0,0,1,0|2,0,0]=4 9475 B16R2.3136 FCCCOCc1ccc2sccc2c1 7a_100000068000_100011934791 [0,1,0,0,1,0|2,0,0]=4 9476 B16R2.3136 N#CCCCOc1ccc2ccoc2c1 7a_100000089557_100000687738 [0,1,0,0,1,0|1,0,1]=4 9477 B16R2.3136 N#CCCCOc1ccc2occc2c1 7a_100000070125_100000687738 [0,1,0,0,1,0|1,0,1]=4 9478 B16R2.3136 N#CCCCOc1ccc2sccc2c1 7a_100012180905_100000687738 [0,1,0,0,1,0|1,0,1]=4 9479 B16R2.3136 O=CCCCOc1ccc2ccoc2c1 7a_100000089557_200011292268 [0,1,0,0,1,0|1,0,1]=4 9480 B16R2.3136 O=CCCCOc1ccc2occc2c1 7a_100000070125_200011292268 [0,1,0,0,1,0|1,0,1]=4 9481 B16R2.3136 O=CCCCOc1ccc2sccc2c1 7a_100012180905_200011292268 [0,1,0,0,1,0|1,0,1]=4 9482 B16R2.3136 OCCCCNc1ccc2ccoc2c1 34a_100000102395_100011216708 [0,1,0,0,1,0|2,0,0]=4 9483 B16R2.3136 OCCCCNc1ccc2occc2c1 34a_106430523501_100011216708 [0,1,0,0,1,0|2,0,0]=4 9484 B16R2.3136 OCCCCNc1ccc2sccc2c1 34a_100000681076_100011216708 [0,1,0,0,1,0|2,0,0]=4 9485 B16R2.3136 OCCCCOc1ccc2[nH]ccc2c1 34a_100000756620_100011216708 [0,1,0,0,1,0|1,0,0]=3 9486 B16R2.3136 OCCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100011216708 [0,1,0,0,1,0|1,0,0]=3 9487 B16R2.3136 OCCCCOc1ccc2ccoc2c1 34a_100000089557_100011216708 [0,1,0,0,1,0|1,0,0]=3 9488 B16R2.3136 OCCCCOc1ccc2ccoc2c1 7a_100000089557_100000210776 [0,1,0,0,1,0|1,0,0]=3 9489 B16R2.3136 OCCCCOc1ccc2cnoc2c1 34a_100000098417_100011216708 [0,1,0,0,1,0|2,0,0]=4 9490 B16R2.3136 OCCCCOc1ccc2cnoc2c1 7a_100000098417_100000210776 [0,1,0,0,1,0|2,0,0]=4 9491 B16R2.3136 OCCCCOc1ccc2ncsc2c1 34a_100011995850_100011216708 [0,1,0,0,1,0|2,0,0]=4 9492 B16R2.3136 OCCCCOc1ccc2ncsc2c1 7a_100011995850_100000210776 [0,1,0,0,1,0|2,0,0]=4 9493 B16R2.3136 OCCCCOc1ccc2occc2c1 34a_100000070125_100011216708 [0,1,0,0,1,0|1,0,0]=3 9494 B16R2.3136 OCCCCOc1ccc2occc2c1 7a_100000070125_100000210776 [0,1,0,0,1,0|1,0,0]=3 9495 B16R2.3136 OCCCCOc1ccc2sccc2c1 34a_100012180905_100011216708 [0,1,0,0,1,0|1,0,0]=3 9496 B16R2.3136 OCCCCOc1ccc2sccc2c1 7a_100012180905_100000210776 [0,1,0,0,1,0|1,0,0]=3 9497 B16R2.3136 OCCCCOc1ccc2scnc2c1 34a_200009850626_100011216708 [0,1,0,0,1,0|2,0,0]=4 9498 B16R2.3136 OCCCCOc1ccc2scnc2c1 7a_200009850626_100000210776 [0,1,0,0,1,0|2,0,0]=4 9499 B16R2.3136 OCCCCOc1ccn2ccnc2c1 34a_100009863278_100011216708 [0,1,0,0,1,0|2,0,0]=4 9500 B16R2.3136 OCCCCOc1cnc2[nH]ccc2c1 34a_100000087691_100011216708 [0,1,0,0,1,0|2,0,0]=4 9501 B16R2.3136 OCCCCSc1ccc2[nH]ccc2c1 62a_100000210776_100000035808 [0,1,0,0,1,0|1,1,0]=4 9502 B16R2.3136 OCCCCSc1ccc2c(c1)C=CC2 62a_100000210776_100009814306 [0,1,0,0,1,0|0,1,1]=4 9503 B16R2.3136 OCCCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210776 [0,1,0,0,1,0|0,1,1]=4 9504 B16R2.3136 OCCCCSc1ccc2c(c1)CC=C2 62a_100000210776_200009818231 [0,1,0,0,1,0|0,1,1]=4 9505 B16R2.3136 OCCCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210776 [0,1,0,0,1,0|0,1,1]=4 9506 B16R2.3136 OCCCCSc1ccc2cc[nH]c2c1 62a_100000210776_100000743809 [0,1,0,0,1,0|1,1,0]=4 9507 B16R2.3136 OCCCCSc1ccc2ccoc2c1 62a_100000210776_100000759542 [0,1,0,0,1,0|1,1,0]=4 9508 B16R2.3136 OCCCCSc1ccc2ccsc2c1 62a_100000210776_100009888917 [0,1,0,0,1,0|1,1,0]=4 9509 B16R2.3136 OCCCCSc1ccc2cscc2c1 62a_100000210776_200010760811 [0,1,0,0,1,0|1,1,0]=4 9510 B16R2.3136 OCCCCSc1ccc2occc2c1 62a_100000210776_100000691453 [0,1,0,0,1,0|1,1,0]=4 9511 B16R2.3136 OCCCCSc1ccc2sccc2c1 62a_100000210776_100009814439 [0,1,0,0,1,0|1,1,0]=4 9512 B16R2.3136 OCCCOCc1ccc2ccoc2c1 34a_200009859634_100000230001 [0,1,0,0,1,0|2,0,0]=4 9513 B16R2.3136 OCCCOCc1ccc2ccoc2c1 7a_200009859634_100011215043 [0,1,0,0,1,0|2,0,0]=4 9514 B16R2.3136 OCCCOCc1ccc2ccsc2c1 34a_100010262773_100000230001 [0,1,0,0,1,0|2,0,0]=4 9515 B16R2.3136 OCCCOCc1ccc2ccsc2c1 7a_100010262773_100011215043 [0,1,0,0,1,0|2,0,0]=4 9516 B16R2.3136 OCCCOCc1ccc2occc2c1 34a_100000067418_100000230001 [0,1,0,0,1,0|2,0,0]=4 9517 B16R2.3136 OCCCOCc1ccc2occc2c1 7a_100000067418_100011215043 [0,1,0,0,1,0|2,0,0]=4 9518 B16R2.3136 OCCCOCc1ccc2sccc2c1 34a_100000068000_100000230001 [0,1,0,0,1,0|2,0,0]=4 9519 B16R2.3136 OCCCOCc1ccc2sccc2c1 7a_100000068000_100011215043 [0,1,0,0,1,0|2,0,0]=4 9520 B16R2.4322 CCCCOc1ccc2[nH]c(=O)oc2c1 7a_200000068749_100000210211 [0,1,0,0,1,0|2,0,0]=4 9521 B16R2.4322 CCCCOc1ccc2[nH]c(cc2c1)C 34a_100000073708_100000210210 [0,1,0,0,1,0|1,0,0]=3 9522 B16R2.4322 CCCCOc1ccc2[nH]c(cc2c1)C 7a_100000073708_100000210211 [0,1,0,0,1,0|1,0,0]=3 9523 B16R2.4322 CCCCOc1ccc2c(c1)CC(=O)O2 34a_100000035078_100000210210 [0,1,0,0,1,0|1,0,1]=4 9524 B16R2.4322 CCCCOc1ccc2c(c1)CC(=O)O2 7a_100000035078_100000210211 [0,1,0,0,1,0|1,0,1]=4 9525 B16R2.4322 CCCCOc1ccc2cc([nH]c2c1)C 34a_100000058111_100000210210 [0,1,0,0,1,0|1,0,0]=3 9526 B16R2.4322 CCCCOc1ccc2cc(oc2c1)C 34a_100000095638_100000210210 [0,1,0,0,1,0|1,0,0]=3 9527 B16R2.4322 CCCCOc1ccc2cc(oc2c1)C 7a_100000095638_100000210211 [0,1,0,0,1,0|1,0,0]=3 9528 B16R2.4322 CCCCOc1ccc2nc(oc2c1)C 34a_100000116946_100000210210 [0,1,0,0,1,0|2,0,0]=4 9529 B16R2.4322 CCCCOc1ccc2nc(oc2c1)C 7a_100000116946_100000210211 [0,1,0,0,1,0|2,0,0]=4 9530 B16R2.4322 CCCCOc1ccc2nc(sc2c1)Br 7a_100010063415_100000210211 [0,1,0,0,1,0|2,0,0]=4 9531 B16R2.4322 CCCCOc1ccc2nc(sc2c1)C 34a_100000008955_100000210210 [0,1,0,0,1,0|2,0,0]=4 9532 B16R2.4322 CCCCOc1ccc2nc(sc2c1)C 7a_100000008955_100000210211 [0,1,0,0,1,0|2,0,0]=4 9533 B16R2.4322 CCCCOc1ccc2nc(sc2c1)N 7a_100000012012_100000210211 [0,1,0,0,1,0|2,0,0]=4 9534 B16R2.4322 CCCCOc1ccc2nn(cc2c1)C 34a_100000106843_100000210210 [0,1,0,0,1,0|2,0,0]=4 9535 B16R2.4322 CCCCOc1ccc2oc(nc2c1)C 34a_100000102623_100000210210 [0,1,0,0,1,0|2,0,0]=4 9536 B16R2.4322 CCCCOc1ccc2oc(nc2c1)C 7a_100000102623_100000210211 [0,1,0,0,1,0|2,0,0]=4 9537 B16R2.4322 CCCCOc1ccc2oc(nc2c1)Cl 34a_100010673232_100000210210 [0,1,0,0,1,0|2,0,0]=4 9538 B16R2.4322 CCCCOc1ccc2oc(nc2c1)Cl 7a_100010673232_100000210211 [0,1,0,0,1,0|2,0,0]=4 9539 B16R2.4322 CCCCOc1ccc2sc(nc2c1)C 34a_100000031546_100000210210 [0,1,0,0,1,0|2,0,0]=4 9540 B16R2.4322 CCCCOc1ccc2sc(nc2c1)C 7a_100000031546_100000210211 [0,1,0,0,1,0|2,0,0]=4 9541 B16R2.4322 CCCCOc1ccc2sc(nc2c1)N 7a_100000066538_100000210211 [0,1,0,0,1,0|2,0,0]=4 9542 B16R2.4322 CCCCOc1ccn2cc(nc2c1)C 34a_106256048495_100000210210 [0,1,0,0,1,0|2,0,0]=4 9543 B16R2.4322 CCCCSc1ccc2[nH]c(cc2c1)C 62a_100000210211_100011214893 [0,1,0,0,1,0|1,1,0]=4 9544 B16R2.4322 CCCCSc1ccc2cc([nH]c2c1)C 62a_100000210211_100010196937 [0,1,0,0,1,0|1,1,0]=4 9545 B16R2.4322 COCCOc1ccc2[nH]c(cc2c1)C 34a_100000073708_100011201679 [0,1,0,0,1,0|2,0,0]=4 9546 B16R2.4322 COCCOc1ccc2[nH]c(cc2c1)C 7a_100000073708_100000233755 [0,1,0,0,1,0|2,0,0]=4 9547 B16R2.4322 COCCOc1ccc2cc([nH]c2c1)C 34a_100000058111_100011201679 [0,1,0,0,1,0|2,0,0]=4 9548 B16R2.4322 COCCOc1ccc2cc(oc2c1)C 34a_100000095638_100011201679 [0,1,0,0,1,0|2,0,0]=4 9549 B16R2.4322 COCCOc1ccc2cc(oc2c1)C 7a_100000095638_100000233755 [0,1,0,0,1,0|2,0,0]=4 9550 B16R2.4322 CSCCOc1ccc2[nH]c(cc2c1)C 34a_100000073708_100000212216 [0,1,0,0,1,0|2,0,0]=4 9551 B16R2.4322 CSCCOc1ccc2[nH]c(cc2c1)C 7a_100000073708_100000212216 [0,1,0,0,1,0|2,0,0]=4 9552 B16R2.4322 CSCCOc1ccc2cc([nH]c2c1)C 34a_100000058111_100000212216 [0,1,0,0,1,0|2,0,0]=4 9553 B16R2.4322 CSCCOc1ccc2cc(oc2c1)C 34a_100000095638_100000212216 [0,1,0,0,1,0|2,0,0]=4 9554 B16R2.4322 CSCCOc1ccc2cc(oc2c1)C 7a_100000095638_100000212216 [0,1,0,0,1,0|2,0,0]=4 9555 B16R2.4322 Cc1cc2cc(ccc2[nH]1)OCCCF 34a_100000073708_100011934791 [0,1,0,0,1,0|2,0,0]=4 9556 B16R2.4322 Cc1cc2cc(ccc2[nH]1)OCCCF 7a_100000073708_100011934791 [0,1,0,0,1,0|2,0,0]=4 9557 B16R2.4322 Cc1cc2cc(ccc2[nH]1)OCCCO 34a_100000073708_100000230001 [0,1,0,0,1,0|2,0,0]=4 9558 B16R2.4322 Cc1cc2cc(ccc2[nH]1)OCCCO 7a_100000073708_100011215043 [0,1,0,0,1,0|2,0,0]=4 9559 B16R2.4322 Cc1cc2ccc(cc2[nH]1)OCCCF 34a_100000058111_100011934791 [0,1,0,0,1,0|2,0,0]=4 9560 B16R2.4322 Cc1cc2ccc(cc2[nH]1)OCCCO 34a_100000058111_100000230001 [0,1,0,0,1,0|2,0,0]=4 9561 B16R2.4322 Cc1cc2ccc(cc2o1)OCCCF 34a_100000095638_100011934791 [0,1,0,0,1,0|2,0,0]=4 9562 B16R2.4322 Cc1cc2ccc(cc2o1)OCCCF 7a_100000095638_100011934791 [0,1,0,0,1,0|2,0,0]=4 9563 B16R2.4322 Cc1cc2ccc(cc2o1)OCCCO 34a_100000095638_100000230001 [0,1,0,0,1,0|2,0,0]=4 9564 B16R2.4322 Cc1cc2ccc(cc2o1)OCCCO 7a_100000095638_100011215043 [0,1,0,0,1,0|2,0,0]=4 9565 B16R2.6365 CCCCNc1cc(c2cc[nH]c2c1)F 34a_100000085187_100000210210 [0,1,0,0,1,0|2,0,0]=4 9566 B16R2.6365 CCCCOc1cc(c2ncsc2c1)C 34a_200009842467_100000210210 [0,1,0,0,1,0|2,0,0]=4 9567 B16R2.6365 CCCCOc1cc(c2ncsc2c1)C 7a_200009842467_100000210211 [0,1,0,0,1,0|2,0,0]=4 9568 B16R2.6365 CCCCOc1cc(c2occc2c1)Br 34a_200010248604_100000210210 [0,1,0,0,1,0|1,0,0]=3 9569 B16R2.6365 CCCCOc1cc(c2occc2c1)Br 7a_200010248604_100000210211 [0,1,0,0,1,0|1,0,0]=3 9570 B16R2.6365 CCCCSc1cc(c2[nH]ccc2c1)C 62a_100000210211_100009817142 [0,1,0,0,1,0|1,1,0]=4 9571 B16R2.6365 CCCCSc1cc(c2[nH]ccc2c1)F 62a_100000210211_100010138380 [0,1,0,0,1,0|1,1,0]=4 9572 B16R2.6365 CCCCSc1cc(c2[nH]ccc2c1)N 62a_100000210211_100009813507 [0,1,0,0,1,0|1,1,0]=4 9573 B16R2.6365 CCCCSc1cc(c2cc[nH]c2c1)Br 62a_100000210211_100009814775 [0,1,0,0,1,0|1,1,0]=4 9574 B16R2.6365 CCCCSc1cc(c2cc[nH]c2c1)Br 62a_100009814775_100000210210 [0,1,0,0,1,0|1,1,0]=4 9575 B16R2.6365 CCCCSc1cc(c2cc[nH]c2c1)F 62a_100000210211_100010186028 [0,1,0,0,1,0|1,1,0]=4 9576 B16R2.6365 CCCCSc1cc(c2cc[nH]c2c1)F 62a_100010186028_100000210210 [0,1,0,0,1,0|1,1,0]=4 9577 B16R2.6365 CCCCSc1cc(c2cc[nH]c2c1)N 62a_100000210211_106744500199 [0,1,0,0,1,0|1,1,0]=4 9578 B16R2.6365 CCCCSc1cc(c2occc2c1)C 62a_100000210211_100012361858 [0,1,0,0,1,0|1,1,0]=4 9579 B16R2.6365 CCCCSc1cc(c2occc2c1)F 62a_100000210211_100012355474 [0,1,0,0,1,0|1,1,0]=4 9580 B16R2.6365 COCCOc1cc(c2occc2c1)Br 34a_200010248604_100011201679 [0,1,0,0,1,0|2,0,0]=4 9581 B16R2.6365 COCCOc1cc(c2occc2c1)Br 7a_200010248604_100000233755 [0,1,0,0,1,0|2,0,0]=4 9582 B16R2.6365 CSCCOc1cc(c2occc2c1)Br 34a_200010248604_100000212216 [0,1,0,0,1,0|2,0,0]=4 9583 B16R2.6365 CSCCOc1cc(c2occc2c1)Br 7a_200010248604_100000212216 [0,1,0,0,1,0|2,0,0]=4 9584 B16R2.6365 FCCCOc1cc(c2occc2c1)Br 34a_200010248604_100011934791 [0,1,0,0,1,0|2,0,0]=4 9585 B16R2.6365 FCCCOc1cc(c2occc2c1)Br 7a_200010248604_100011934791 [0,1,0,0,1,0|2,0,0]=4 9586 B16R2.6365 OCCCOc1cc(c2occc2c1)Br 34a_200010248604_100000230001 [0,1,0,0,1,0|2,0,0]=4 9587 B16R2.6365 OCCCOc1cc(c2occc2c1)Br 7a_200010248604_100011215043 [0,1,0,0,1,0|2,0,0]=4 9588 B16R2.27160 C=C(C)CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000730704 [0,1,0,0,1,0|1,0,1]=4 9589 B16R2.27160 C=C(C)CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000730704 [0,1,0,0,1,0|1,0,1]=4 9590 B16R2.27160 C=C(C)CCOc1ccc2ccoc2c1 34a_100000089557_100000730704 [0,1,0,0,1,0|1,0,1]=4 9591 B16R2.27160 C=C(C)CCOc1ccc2ccoc2c1 7a_100000089557_100000730704 [0,1,0,0,1,0|1,0,1]=4 9592 B16R2.27160 C=C(C)CCOc1ccc2occc2c1 34a_100000070125_100000730704 [0,1,0,0,1,0|1,0,1]=4 9593 B16R2.27160 C=C(C)CCOc1ccc2occc2c1 7a_100000070125_100000730704 [0,1,0,0,1,0|1,0,1]=4 9594 B16R2.27160 C=C(C)CCOc1ccc2sccc2c1 34a_100012180905_100000730704 [0,1,0,0,1,0|1,0,1]=4 9595 B16R2.27160 C=C(C)CCOc1ccc2sccc2c1 7a_100012180905_100000730704 [0,1,0,0,1,0|1,0,1]=4 9596 B16R2.27160 CC(=O)CCOc1ccc2ccoc2c1 7a_100000089557_100000053229 [0,1,0,0,1,0|1,0,1]=4 9597 B16R2.27160 CC(=O)CCOc1ccc2occc2c1 7a_100000070125_100000053229 [0,1,0,0,1,0|1,0,1]=4 9598 B16R2.27160 CC(=O)CCOc1ccc2sccc2c1 7a_100012180905_100000053229 [0,1,0,0,1,0|1,0,1]=4 9599 B16R2.27160 CC(C)CCNc1ccc2ccoc2c1 34a_100000102395_100000210312 [0,1,0,0,1,0|2,0,0]=4 9600 B16R2.27160 CC(C)CCNc1ccc2occc2c1 34a_106430523501_100000210312 [0,1,0,0,1,0|2,0,0]=4 9601 B16R2.27160 CC(C)CCNc1ccc2sccc2c1 34a_100000681076_100000210312 [0,1,0,0,1,0|2,0,0]=4 9602 B16R2.27160 CC(C)CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210312 [0,1,0,0,1,0|1,0,0]=3 9603 B16R2.27160 CC(C)CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210312 [0,1,0,0,1,0|1,0,0]=3 9604 B16R2.27160 CC(C)CCOc1ccc2ccoc2c1 34a_100000089557_100000210312 [0,1,0,0,1,0|1,0,0]=3 9605 B16R2.27160 CC(C)CCOc1ccc2ccoc2c1 7a_100000089557_100000210626 [0,1,0,0,1,0|1,0,0]=3 9606 B16R2.27160 CC(C)CCOc1ccc2cnoc2c1 34a_100000098417_100000210312 [0,1,0,0,1,0|2,0,0]=4 9607 B16R2.27160 CC(C)CCOc1ccc2cnoc2c1 7a_100000098417_100000210626 [0,1,0,0,1,0|2,0,0]=4 9608 B16R2.27160 CC(C)CCOc1ccc2ncsc2c1 34a_100011995850_100000210312 [0,1,0,0,1,0|2,0,0]=4 9609 B16R2.27160 CC(C)CCOc1ccc2ncsc2c1 7a_100011995850_100000210626 [0,1,0,0,1,0|2,0,0]=4 9610 B16R2.27160 CC(C)CCOc1ccc2occc2c1 34a_100000070125_100000210312 [0,1,0,0,1,0|1,0,0]=3 9611 B16R2.27160 CC(C)CCOc1ccc2occc2c1 7a_100000070125_100000210626 [0,1,0,0,1,0|1,0,0]=3 9612 B16R2.27160 CC(C)CCOc1ccc2sccc2c1 34a_100012180905_100000210312 [0,1,0,0,1,0|1,0,0]=3 9613 B16R2.27160 CC(C)CCOc1ccc2sccc2c1 7a_100012180905_100000210626 [0,1,0,0,1,0|1,0,0]=3 9614 B16R2.27160 CC(C)CCOc1ccc2scnc2c1 34a_200009850626_100000210312 [0,1,0,0,1,0|2,0,0]=4 9615 B16R2.27160 CC(C)CCOc1ccc2scnc2c1 7a_200009850626_100000210626 [0,1,0,0,1,0|2,0,0]=4 9616 B16R2.27160 CC(C)CCOc1ccn2ccnc2c1 34a_100009863278_100000210312 [0,1,0,0,1,0|2,0,0]=4 9617 B16R2.27160 CC(C)CCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210312 [0,1,0,0,1,0|2,0,0]=4 9618 B16R2.27160 CC(C)CCSc1ccc2[nH]ccc2c1 62a_100000210312_100000035808 [0,1,0,0,1,0|1,1,0]=4 9619 B16R2.27160 CC(C)CCSc1ccc2c(c1)C=CC2 62a_100000210312_100009814306 [0,1,0,0,1,0|0,1,1]=4 9620 B16R2.27160 CC(C)CCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210312 [0,1,0,0,1,0|0,1,1]=4 9621 B16R2.27160 CC(C)CCSc1ccc2c(c1)CC=C2 62a_100000210312_200009818231 [0,1,0,0,1,0|0,1,1]=4 9622 B16R2.27160 CC(C)CCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210312 [0,1,0,0,1,0|0,1,1]=4 9623 B16R2.27160 CC(C)CCSc1ccc2cc[nH]c2c1 62a_100000210312_100000743809 [0,1,0,0,1,0|1,1,0]=4 9624 B16R2.27160 CC(C)CCSc1ccc2ccoc2c1 62a_100000210312_100000759542 [0,1,0,0,1,0|1,1,0]=4 9625 B16R2.27160 CC(C)CCSc1ccc2occc2c1 62a_100000210312_100000691453 [0,1,0,0,1,0|1,1,0]=4 9626 B16R2.27160 CC(C)OCOc1ccc2[nH]ccc2c1 34a_100000756620_100000709892 [0,1,0,0,1,0|2,0,0]=4 9627 B16R2.27160 CC(C)OCOc1ccc2cc[nH]c2c1 34a_100000036713_100000709892 [0,1,0,0,1,0|2,0,0]=4 9628 B16R2.27160 CC(C)OCOc1ccc2ccoc2c1 34a_100000089557_100000709892 [0,1,0,0,1,0|2,0,0]=4 9629 B16R2.27160 CC(C)OCOc1ccc2occc2c1 34a_100000070125_100000709892 [0,1,0,0,1,0|2,0,0]=4 9630 B16R2.27160 CC(C)OCOc1ccc2sccc2c1 34a_100012180905_100000709892 [0,1,0,0,1,0|2,0,0]=4 9631 B16R2.27160 CC(O)CCNc1ccc2ccoc2c1 34a_100000102395_100012276601 [0,1,0,0,1,0|2,0,0]=4 9632 B16R2.27160 CC(O)CCNc1ccc2occc2c1 34a_106430523501_100012276601 [0,1,0,0,1,0|2,0,0]=4 9633 B16R2.27160 CC(O)CCNc1ccc2sccc2c1 34a_100000681076_100012276601 [0,1,0,0,1,0|2,0,0]=4 9634 B16R2.27160 CC(O)CCOc1ccc2[nH]ccc2c1 34a_100000756620_100012276601 [0,1,0,0,1,0|1,0,0]=3 9635 B16R2.27160 CC(O)CCOc1ccc2cc[nH]c2c1 34a_100000036713_100012276601 [0,1,0,0,1,0|1,0,0]=3 9636 B16R2.27160 CC(O)CCOc1ccc2ccoc2c1 34a_100000089557_100012276601 [0,1,0,0,1,0|1,0,0]=3 9637 B16R2.27160 CC(O)CCOc1ccc2ccoc2c1 7a_100000089557_100012276601 [0,1,0,0,1,0|1,0,0]=3 9638 B16R2.27160 CC(O)CCOc1ccc2cnoc2c1 34a_100000098417_100012276601 [0,1,0,0,1,0|2,0,0]=4 9639 B16R2.27160 CC(O)CCOc1ccc2cnoc2c1 7a_100000098417_100012276601 [0,1,0,0,1,0|2,0,0]=4 9640 B16R2.27160 CC(O)CCOc1ccc2ncsc2c1 34a_100011995850_100012276601 [0,1,0,0,1,0|2,0,0]=4 9641 B16R2.27160 CC(O)CCOc1ccc2ncsc2c1 7a_100011995850_100012276601 [0,1,0,0,1,0|2,0,0]=4 9642 B16R2.27160 CC(O)CCOc1ccc2occc2c1 34a_100000070125_100012276601 [0,1,0,0,1,0|1,0,0]=3 9643 B16R2.27160 CC(O)CCOc1ccc2occc2c1 7a_100000070125_100012276601 [0,1,0,0,1,0|1,0,0]=3 9644 B16R2.27160 CC(O)CCOc1ccc2sccc2c1 34a_100012180905_100012276601 [0,1,0,0,1,0|1,0,0]=3 9645 B16R2.27160 CC(O)CCOc1ccc2sccc2c1 7a_100012180905_100012276601 [0,1,0,0,1,0|1,0,0]=3 9646 B16R2.27160 CC(O)CCOc1ccc2scnc2c1 34a_200009850626_100012276601 [0,1,0,0,1,0|2,0,0]=4 9647 B16R2.27160 CC(O)CCOc1ccc2scnc2c1 7a_200009850626_100012276601 [0,1,0,0,1,0|2,0,0]=4 9648 B16R2.27160 CC(O)CCOc1ccn2ccnc2c1 34a_100009863278_100012276601 [0,1,0,0,1,0|2,0,0]=4 9649 B16R2.27160 CC(O)CCOc1cnc2[nH]ccc2c1 34a_100000087691_100012276601 [0,1,0,0,1,0|2,0,0]=4 9650 B16R2.27160 CC(O)CCSc1ccc2[nH]ccc2c1 62a_100012276601_100000035808 [0,1,0,0,1,0|1,1,0]=4 9651 B16R2.27160 CC(O)CCSc1ccc2c(c1)C=CC2 62a_100009814306_100012276601 [0,1,0,0,1,0|0,1,1]=4 9652 B16R2.27160 CC(O)CCSc1ccc2c(c1)C=CC2 62a_100012276601_100009814306 [0,1,0,0,1,0|0,1,1]=4 9653 B16R2.27160 CC(O)CCSc1ccc2c(c1)CC=C2 62a_100012276601_200009818231 [0,1,0,0,1,0|0,1,1]=4 9654 B16R2.27160 CC(O)CCSc1ccc2c(c1)CC=C2 62a_200009818231_100012276601 [0,1,0,0,1,0|0,1,1]=4 9655 B16R2.27160 CC(O)CCSc1ccc2cc[nH]c2c1 62a_100012276601_100000743809 [0,1,0,0,1,0|1,1,0]=4 9656 B16R2.27160 CC(O)CCSc1ccc2ccoc2c1 62a_100012276601_100000759542 [0,1,0,0,1,0|1,1,0]=4 9657 B16R2.27160 CC(O)CCSc1ccc2ccsc2c1 62a_100012276601_100009888917 [0,1,0,0,1,0|1,1,0]=4 9658 B16R2.27160 CC(O)CCSc1ccc2cscc2c1 62a_100012276601_200010760811 [0,1,0,0,1,0|1,1,0]=4 9659 B16R2.27160 CC(O)CCSc1ccc2occc2c1 62a_100012276601_100000691453 [0,1,0,0,1,0|1,1,0]=4 9660 B16R2.27160 CC(O)CCSc1ccc2sccc2c1 62a_100012276601_100009814439 [0,1,0,0,1,0|1,1,0]=4 9661 B16R2.27160 CN(C)CCOc1ccc2ccoc2c1 7a_100000089557_100000755713 [0,1,0,0,1,0|2,0,0]=4 9662 B16R2.27160 CN(C)CCOc1ccc2occc2c1 7a_100000070125_100000755713 [0,1,0,0,1,0|2,0,0]=4 9663 B16R2.27160 CN(C)CCOc1ccc2sccc2c1 7a_100012180905_100000755713 [0,1,0,0,1,0|2,0,0]=4 9664 B16R2.27834 CCCCSc1cc2[nH]ccc2cc1Br 62a_100000210211_100000703010 [0,1,0,0,1,0|1,1,0]=4 9665 B16R2.27834 CCCCSc1cc2[nH]ccc2cc1Br 62a_100000703010_100000210210 [0,1,0,0,1,0|1,1,0]=4 9666 B16R2.27834 CCCCSc1cc2[nH]ccc2cc1C 62a_100000210211_100010199660 [0,1,0,0,1,0|1,1,0]=4 9667 B16R2.27834 CCCCSc1cc2[nH]ccc2cc1F 62a_100000210211_100009817181 [0,1,0,0,1,0|1,1,0]=4 9668 B16R2.27834 CCCCSc1cc2[nH]ccc2cc1F 62a_100009817181_100000210210 [0,1,0,0,1,0|1,1,0]=4 9669 B16R2.27834 CCCCSc1cc2cc[nH]c2cc1C 62a_100000210211_100010199648 [0,1,0,0,1,0|1,1,0]=4 9670 B16R2.27834 CCCCSc1cc2cc[nH]c2cc1F 62a_100000210211_100000731065 [0,1,0,0,1,0|1,1,0]=4 9671 B16R2.27834 CCCCSc1cc2cc[nH]c2cc1F 62a_100000731065_100000210210 [0,1,0,0,1,0|1,1,0]=4 9672 B16R2.27834 CCCCSc1cc2cc[nH]c2cc1N 62a_100000210211_100010212544 [0,1,0,0,1,0|1,1,0]=4 9673 B16R2.27834 CCCCSc1cc2cc[nH]c2cc1N 62a_100010212544_100000210210 [0,1,0,0,1,0|1,1,0]=4 9674 B16R2.27892 CCCCNc1ccc2ccn(c2c1)C 34a_100000712629_100000210210 [0,1,0,0,1,0|2,0,0]=4 9675 B16R2.27892 CCCCNc1ccc2scc(c2c1)Br 2230a_100011178648_100000210211 [0,1,0,0,1,0|2,0,0]=4 9676 B16R2.27892 CCCCNc1ccc2scc(c2c1)Br 34a_100011178648_100000210210 [0,1,0,0,1,0|2,0,0]=4 9677 B16R2.27892 CCCCOc1ccc2[nH]cc(c2c1)C 34a_100000131216_100000210210 [0,1,0,0,1,0|1,0,0]=3 9678 B16R2.27892 CCCCOc1ccc2c(c1)C(=O)CC2 34a_100009827925_100000210210 [0,1,0,0,1,0|0,0,2]=4 9679 B16R2.27892 CCCCOc1ccc2c(c1)C(=O)CC2 7a_100009827925_100000210211 [0,1,0,0,1,0|0,0,2]=4 9680 B16R2.27892 CCCCOc1ccc2c(c1)C(=O)NC2 34a_100000087830_100000210210 [0,1,0,0,1,0|1,0,1]=4 9681 B16R2.27892 CCCCOc1ccc2cnn(c2c1)C 34a_100009862793_100000210210 [0,1,0,0,1,0|2,0,0]=4 9682 B16R2.27892 CCCCSc1ccc2[nH]cc(c2c1)C 62a_100000210211_100009816687 [0,1,0,0,1,0|1,1,0]=4 9683 B16R2.27892 CCCCSc1ccc2ccn(c2c1)C 62a_100000210211_100011934912 [0,1,0,0,1,0|1,1,0]=4 9684 B16R2.27892 CCCCSc1ccc2occ(c2c1)C 62a_100000210211_100000728893 [0,1,0,0,1,0|1,1,0]=4 9685 B16R2.27892 COCCOc1ccc2[nH]cc(c2c1)C 34a_100000131216_100011201679 [0,1,0,0,1,0|2,0,0]=4 9686 B16R2.27892 CSCCOc1ccc2[nH]cc(c2c1)C 34a_100000131216_100000212216 [0,1,0,0,1,0|2,0,0]=4 9687 B16R2.27892 Cc1c[nH]c2c1cc(cc2)OCCCF 34a_100000131216_100011934791 [0,1,0,0,1,0|2,0,0]=4 9688 B16R2.27892 Cc1c[nH]c2c1cc(cc2)OCCCO 34a_100000131216_100000230001 [0,1,0,0,1,0|2,0,0]=4 9689 B16R2.205486 CCCC=Cc1ccc2c(c1)C=CC2=O 271570a_100016258520_100010210589 [0,1,0,0,1,0|1,0,1]=4 9690 B16R2.205486 CCCCNc1ccc2c(c1)ccn2C 34a_100011270241_100000210210 [0,1,0,0,1,0|2,0,0]=4 9691 B16R2.205486 CCCCOc1ccc2c(c1)CCC2=O 34a_100000708912_100000210210 [0,1,0,0,1,0|0,0,2]=4 9692 B16R2.205486 CCCCOc1ccc2c(c1)CCC2=O 7a_100000708912_100000210211 [0,1,0,0,1,0|0,0,2]=4 9693 B16R2.205486 CCCCOc1ccc2c(c1)CNC2=O 34a_100000098542_100000210210 [0,1,0,0,1,0|1,0,1]=4 9694 B16R2.205486 CCCCOc1ccc2c(c1)COC2=O 7a_100000044543_100000210211 [0,1,0,0,1,0|1,0,1]=4 9695 B16R2.205486 CCCCOc1ccc2c(c1)cnn2C 34a_100009859523_100000210210 [0,1,0,0,1,0|2,0,0]=4 9696 B16R2.205486 CCCCOc1ccc2c(c1)cnn2C 7a_100009859523_100000210211 [0,1,0,0,1,0|2,0,0]=4 9697 B16R2.205486 CCCCOc1ccc2c(c1)ncn2C 34a_100000028553_100000210210 [0,1,0,0,1,0|2,0,0]=4 9698 B16R2.205486 CCCCOc1ccc2c(noc2c1)C 34a_200000076027_100000210210 [0,1,0,0,1,0|2,0,0]=4 9699 B16R2.205486 CCCCSc1ccc2c(c1)C=CC2=O 62a_100000210211_100010210589 [0,1,0,0,1,0|0,1,0]=3 9700 B16R2.205486 CCCCSc1ccc2c(c1)C=CC2=O 62a_100010210589_100000210210 [0,1,0,0,1,0|0,1,0]=3 9701 B16R2.205486 CCCCSc1ccc2c(c1)ccn2C 62a_100000210211_100011202928 [0,1,0,0,1,0|1,1,0]=4 9702 B16R2.205486 CCCCSc1ccc2c(c[nH]c2c1)C 62a_100000210211_100010209589 [0,1,0,0,1,0|1,1,0]=4 9703 B16R2.205486 CCCCSc1ccc2c(coc2c1)C 62a_100000210211_100010775837 [0,1,0,0,1,0|1,1,0]=4 9704 B16R2.205486 CCOCSc1ccc2c(c1)C=CC2=O 62a_100000739092_100010210589 [0,1,0,0,1,0|1,1,0]=4 9705 B16R2.205486 CCOCSc1ccc2c(c1)C=CC2=O 62a_100010210589_100000739092 [0,1,0,0,1,0|1,1,0]=4 9706 B16R2.205486 COCCSc1ccc2c(c1)C=CC2=O 62a_100000233755_100010210589 [0,1,0,0,1,0|1,1,0]=4 9707 B16R2.205486 COCCSc1ccc2c(c1)C=CC2=O 62a_100010210589_100000233755 [0,1,0,0,1,0|1,1,0]=4 9708 B16R2.205486 CSCCSc1ccc2c(c1)C=CC2=O 62a_100000212216_100010210589 [0,1,0,0,1,0|1,1,0]=4 9709 B16R2.205486 CSCCSc1ccc2c(c1)C=CC2=O 62a_100010210589_100000751147 [0,1,0,0,1,0|1,1,0]=4 9710 B16R2.205486 O=C1C=Cc2c1ccc(c2)SCCCF 62a_100010210589_100011934791 [0,1,0,0,1,0|1,1,0]=4 9711 B16R2.205486 O=C1C=Cc2c1ccc(c2)SCCCF 62a_100011934791_100010210589 [0,1,0,0,1,0|1,1,0]=4 9712 B16R2.205486 O=C1C=Cc2c1ccc(c2)SCCCO 62a_100010210589_100011215043 [0,1,0,0,1,0|1,1,0]=4 9713 B16R2.205486 O=C1C=Cc2c1ccc(c2)SCCCO 62a_100011215043_100010210589 [0,1,0,0,1,0|1,1,0]=4 9714 B16R2.492 CC(C)CCSc1cc2ccccc2[nH]1 62a_100000210312_100010232065 [0,1,0,0,1,0|1,1,0]=4 9715 B16R2.492 CC(C)CCSc1cc2ccccc2o1 62a_100000210312_100010159458 [0,1,0,0,1,0|1,1,0]=4 9716 B16R2.492 CC(O)CCSc1cc2ccccc2[nH]1 62a_100012276601_100010232065 [0,1,0,0,1,0|1,1,0]=4 9717 B16R2.492 CC(O)CCSc1cc2ccccc2o1 62a_100012276601_100010159458 [0,1,0,0,1,0|1,1,0]=4 9718 B16R2.492 CC(O)CCSc1cc2ccccc2s1 62a_100012276601_100009816949 [0,1,0,0,1,0|1,1,0]=4 9719 B16R2.734 CCCC(C)Sc1cc2ccccc2[nH]1 62a_100000766640_100010232065 [0,1,0,0,1,0|1,1,0]=4 9720 B16R2.734 CCCC(C)Sc1cc2ccccc2o1 62a_100000766640_100010159458 [0,1,0,0,1,0|1,1,0]=4 9721 B16R2.1181 CCC(C)CSc1cc2ccccc2[nH]1 62a_100000748023_100010232065 [0,1,0,0,1,0|1,1,0]=4 9722 B16R2.1181 CCC(C)CSc1cc2ccccc2o1 62a_100000748023_100010159458 [0,1,0,0,1,0|1,1,0]=4 9723 B16R2.1181 CCC(O)CSc1cc2ccccc2[nH]1 62a_100011218378_100010232065 [0,1,0,0,1,0|1,1,0]=4 9724 B16R2.1181 CCC(O)CSc1cc2ccccc2o1 62a_100011218378_100010159458 [0,1,0,0,1,0|1,1,0]=4 9725 B16R2.1181 CCC(O)CSc1cc2ccccc2s1 62a_100011218378_100009816949 [0,1,0,0,1,0|1,1,0]=4 9726 B16R2.1181 CC[C@H](C)CSc1cc2ccccc2[nH]1 62a_100009816398_100010232065 [0,1,0,0,1,0|1,1,0]=4 9727 B16R2.1181 CC[C@H](C)CSc1cc2ccccc2o1 62a_100009816398_100010159458 [0,1,0,0,1,0|1,1,0]=4 9728 B16R2.2128 CCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210211 [0,1,0,0,1,0|1,0,1]=4 9729 B16R2.2272 CCCCOc1cc2ccccc2n1C 34a_100000066695_100000210210 [0,1,0,0,1,0|1,0,0]=3 9730 B16R2.2272 COCCOc1cc2ccccc2n1C 34a_100000066695_100011201679 [0,1,0,0,1,0|2,0,0]=4 9731 B16R2.2272 CSCCOc1cc2ccccc2n1C 34a_100000066695_100000212216 [0,1,0,0,1,0|2,0,0]=4 9732 B16R2.2272 Cn1c(cc2c1cccc2)OCCCF 34a_100000066695_100011934791 [0,1,0,0,1,0|2,0,0]=4 9733 B16R2.2272 Cn1c(cc2c1cccc2)OCCCO 34a_100000066695_100000230001 [0,1,0,0,1,0|2,0,0]=4 9734 B16R2.2435 CCCCSc1cc2cc(ccc2[nH]1)Br 62a_100000210211_100011012855 [0,1,0,0,1,0|1,1,0]=4 9735 B16R2.2435 CCCCSc1cc2cc(ccc2[nH]1)Br 62a_100011012855_100000210210 [0,1,0,0,1,0|1,1,0]=4 9736 B16R2.2440 CCCCSc1cc2cccc(c2[nH]1)Br 62a_100000210211_100135389745 [0,1,0,0,1,0|1,1,0]=4 9737 B16R2.2440 CCCCSc1cc2cccc(c2[nH]1)Br 62a_100135389745_100000210210 [0,1,0,0,1,0|1,1,0]=4 9738 B16R2.2875 CCCCC=Cc1cc2ccccc2[nH]1 271570a_100016275911_100010232065 [0,1,0,0,1,0|2,0,0]=4 9739 B16R2.2875 CCCCC=Cc1cc2ccccc2o1 271570a_100016275911_100010159458 [0,1,0,0,1,0|2,0,0]=4 9740 B16R2.2875 CCCCCSc1cc2ccccc2[nH]1 62a_100000210326_100010232065 [0,1,0,0,1,0|1,1,0]=4 9741 B16R2.2875 CCCCCSc1cc2ccccc2o1 62a_100000210326_100010159458 [0,1,0,0,1,0|1,1,0]=4 9742 B16R2.2875 CCCCNCc1cc2ccccc2[nH]1 270004a_100000102301_100000051030 [0,1,0,0,1,0|2,0,0]=4 9743 B16R2.2875 CCCCNCc1cc2ccccc2o1 207a_100000102301_100000229944 [0,1,0,0,1,0|2,0,0]=4 9744 B16R2.2875 CCCCNCc1cc2ccccc2o1 270004a_100000102301_100000229944 [0,1,0,0,1,0|2,0,0]=4 9745 B16R2.2875 CCCCNCc1cc2ccccc2s1 207a_100000102301_100000686906 [0,1,0,0,1,0|2,0,0]=4 9746 B16R2.2875 CCCCNCc1cc2ccccc2s1 2230a_100015187092_100000210211 [0,1,0,0,1,0|2,0,0]=4 9747 B16R2.2875 CCCCNCc1cc2ccccc2s1 270004a_100000102301_100000686906 [0,1,0,0,1,0|2,0,0]=4 9748 B16R2.2875 CCCCOCc1cc2ccccc2o1 34a_100000233474_100000210210 [0,1,0,0,1,0|1,0,0]=3 9749 B16R2.2875 CCCCOCc1cc2ccccc2o1 7a_100000233474_100000210211 [0,1,0,0,1,0|1,0,0]=3 9750 B16R2.2875 CCCCOCc1cn2ccccc2n1 34a_100000210227_100000689847 [0,1,0,0,1,0|2,0,0]=4 9751 B16R2.2875 CCCCOCc1cn2ccccc2n1 7a_100000210227_100000689847 [0,1,0,0,1,0|2,0,0]=4 9752 B16R2.2875 CCCCOCc1nc2ccccc2[nH]1 7a_100000210227_100000737899 [0,1,0,0,1,0|2,0,0]=4 9753 B16R2.2875 CCCCOCc1nc2ccccc2o1 34a_100000210227_200012361514 [0,1,0,0,1,0|2,0,0]=4 9754 B16R2.2875 CCCCOCc1nc2ccccc2o1 7a_100000210227_100000195508 [0,1,0,0,1,0|2,0,0]=4 9755 B16R2.2875 CCCCOCc1nc2ccccc2s1 34a_100000210227_100011217541 [0,1,0,0,1,0|2,0,0]=4 9756 B16R2.2875 CCCCOCc1nc2ccccc2s1 7a_100000210227_100011217541 [0,1,0,0,1,0|2,0,0]=4 9757 B16R2.2875 CCCOCCc1cc2ccccc2o1 34a_100011996023_100000210303 [0,1,0,0,1,0|2,0,0]=4 9758 B16R2.2875 CCCOCCc1cc2ccccc2o1 7a_100011996023_100000210303 [0,1,0,0,1,0|2,0,0]=4 9759 B16R2.2875 CCOCCSc1cc2ccccc2[nH]1 62a_100000210147_100010232065 [0,1,0,0,1,0|1,1,0]=4 9760 B16R2.2875 CCOCCSc1cc2ccccc2o1 62a_100000210147_100010159458 [0,1,0,0,1,0|1,1,0]=4 9761 B16R2.2875 CCOCCSc1cc2ccccc2s1 62a_100000210147_100009816949 [0,1,0,0,1,0|1,1,0]=4 9762 B16R2.2875 CCSCCSc1cc2ccccc2[nH]1 62a_100000757381_100010232065 [0,1,0,0,1,0|1,1,0]=4 9763 B16R2.2875 CCSCCSc1cc2ccccc2o1 62a_100000757381_100010159458 [0,1,0,0,1,0|1,1,0]=4 9764 B16R2.2875 CCSCCSc1cc2ccccc2s1 62a_100000757381_100009816949 [0,1,0,0,1,0|1,1,0]=4 9765 B16R2.2875 COCCCSc1cc2ccccc2[nH]1 62a_100000709357_100010232065 [0,1,0,0,1,0|1,1,0]=4 9766 B16R2.2875 COCCCSc1cc2ccccc2o1 62a_100000709357_100010159458 [0,1,0,0,1,0|1,1,0]=4 9767 B16R2.2875 COCCCSc1cc2ccccc2s1 62a_100000709357_100009816949 [0,1,0,0,1,0|1,1,0]=4 9768 B16R2.2875 COCCOCc1cc2ccccc2o1 34a_100000233474_100011201679 [0,1,0,0,1,0|2,0,0]=4 9769 B16R2.2875 COCCOCc1cc2ccccc2o1 7a_100000233474_100000233755 [0,1,0,0,1,0|2,0,0]=4 9770 B16R2.2875 CSCCOCc1cc2ccccc2o1 34a_100000233474_100000212216 [0,1,0,0,1,0|2,0,0]=4 9771 B16R2.2875 CSCCOCc1cc2ccccc2o1 7a_100000233474_100000212216 [0,1,0,0,1,0|2,0,0]=4 9772 B16R2.2875 FCCCCSc1cc2ccccc2[nH]1 62a_100000729493_100010232065 [0,1,0,0,1,0|1,1,0]=4 9773 B16R2.2875 FCCCCSc1cc2ccccc2o1 62a_100000729493_100010159458 [0,1,0,0,1,0|1,1,0]=4 9774 B16R2.2875 FCCCCSc1cc2ccccc2s1 62a_100000729493_100009816949 [0,1,0,0,1,0|1,1,0]=4 9775 B16R2.2875 FCCCOCc1cc2ccccc2o1 34a_100000233474_100011934791 [0,1,0,0,1,0|2,0,0]=4 9776 B16R2.2875 FCCCOCc1cc2ccccc2o1 7a_100000233474_100011934791 [0,1,0,0,1,0|2,0,0]=4 9777 B16R2.2875 OCCCCSc1cc2ccccc2[nH]1 62a_100000210776_100010232065 [0,1,0,0,1,0|1,1,0]=4 9778 B16R2.2875 OCCCCSc1cc2ccccc2o1 62a_100000210776_100010159458 [0,1,0,0,1,0|1,1,0]=4 9779 B16R2.2875 OCCCCSc1cc2ccccc2s1 62a_100000210776_100009816949 [0,1,0,0,1,0|1,1,0]=4 9780 B16R2.2875 OCCCOCc1cc2ccccc2o1 34a_100000233474_100000230001 [0,1,0,0,1,0|2,0,0]=4 9781 B16R2.2875 OCCCOCc1cc2ccccc2o1 7a_100000233474_100011215043 [0,1,0,0,1,0|2,0,0]=4 9782 B18R2.1932 CCCCC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100000210211 [0,1,0,0,0,1|1,0,0]=3 9783 B18R2.1932 CCCNC(=O)C1=Cc2ccccc2OC=C1 11a_100020643023_200000089061 [0,1,0,0,0,1|2,0,0]=4 9784 B18R2.1932 CCCNC(=O)C1=Cc2ccccc2OC=C1 1626a_100020643023_200000089061 [0,1,0,0,0,1|2,0,0]=4 9785 B18R2.1932 CCCNC(=O)C1=Cc2ccccc2OC=C1 240690a_100020643023_200000089061 [0,1,0,0,0,1|2,0,0]=4 9786 B18R2.1932 COCCC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100000233755 [0,1,0,0,0,1|2,0,0]=4 9787 B18R2.1932 CSCCC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_100000751147 [0,1,0,0,0,1|2,0,0]=4 9788 B18R2.1932 O=C(CCCF)C1=Cc2ccccc2OC=C1 1458a_200000089061_100011934791 [0,1,0,0,0,1|2,0,0]=4 9789 B18R2.1932 O=C(CCCO)C1=Cc2ccccc2OC=C1 1458a_200000089061_100011215043 [0,1,0,0,0,1|2,0,0]=4 9790 B18R2.5834 CC(C)(CO)CNc1ccc2ccccc2c1 34a_100000211940_100009813988 [0,2,0,0,0,0|2,0,0]=4 9791 B18R2.5834 CC(C)(CO)CNc1ccc2ccccc2c1 7a_100000211940_100009813988 [0,2,0,0,0,0|2,0,0]=4 9792 B18R2.5834 CC(C)(CO)COc1ccc2ccccc2c1 34a_100000185828_100009813988 [0,2,0,0,0,0|1,0,0]=3 9793 B18R2.5834 CC(C)(CO)COc1ccc2ccccc2c1 7a_100000185828_100009813988 [0,2,0,0,0,0|1,0,0]=3 9794 B18R2.5834 CC(C)(CO)COc1ccc2cccnc2c1 34a_100011216045_100009813988 [0,2,0,0,0,0|2,0,0]=4 9795 B18R2.5834 CC(C)(CO)COc1ccc2ccncc2c1 7a_100000752006_100009813988 [0,2,0,0,0,0|2,0,0]=4 9796 B18R2.5834 CC(C)(CO)COc1ccc2cnccc2c1 34a_100000046372_100009813988 [0,2,0,0,0,0|2,0,0]=4 9797 B18R2.5834 CC(C)(CO)COc1ccc2cnccc2c1 7a_100000046372_100009813988 [0,2,0,0,0,0|2,0,0]=4 9798 B18R2.5834 CC(C)(CO)COc1ccc2ncccc2c1 34a_100011215586_100009813988 [0,2,0,0,0,0|2,0,0]=4 9799 B18R2.5834 CC(C)(CO)COc1ccc2ncccc2c1 7a_100011215586_100009813988 [0,2,0,0,0,0|2,0,0]=4 9800 B18R2.5834 CC(C)(CO)COc1cnc2ccccc2c1 34a_100011934006_100009813988 [0,2,0,0,0,0|2,0,0]=4 9801 B18R2.5834 CC(C)(CO)COc1cnc2ccccc2c1 7a_100011934006_100009813988 [0,2,0,0,0,0|2,0,0]=4 9802 B18R2.5834 CC(C)(CO)CSc1ccc2ccccc2c1 62a_100009813988_100000233703 [0,2,0,0,0,0|1,1,0]=4 9803 B18R2.5834 CCC(C)(C)NCc1ccc2ccccc2c1 207a_100000211385_100000211584 [0,2,0,0,0,0|2,0,0]=4 9804 B18R2.5834 CCC(C)(C)NCc1ccc2ccccc2c1 2230a_100000211385_100011216711 [0,2,0,0,0,0|2,0,0]=4 9805 B18R2.5834 CCC(C)(C)NCc1ccc2ccccc2c1 270004a_100000211385_100000211584 [0,2,0,0,0,0|2,0,0]=4 9806 B18R2.5834 CCC(C)(C)OCc1ccc2ccccc2c1 7a_100000210230_100011216711 [0,2,0,0,0,0|2,0,0]=4 9807 B18R2.5834 CCC(C)(C)OCc1ccc2ccccc2c1 7a_100011215330_100000210677 [0,2,0,0,0,0|2,0,0]=4 9808 B18R2.5834 COC(C)(C)CNc1ccc2ccccc2c1 34a_100000211940_100000701081 [0,2,0,0,0,0|2,0,0]=4 9809 B18R2.5834 COC(C)(C)COc1ccc2ccccc2c1 34a_100000185828_100000701081 [0,2,0,0,0,0|1,0,0]=3 9810 B18R2.5834 COC(C)(C)COc1ccc2cccnc2c1 34a_100011216045_100000701081 [0,2,0,0,0,0|2,0,0]=4 9811 B18R2.5834 COC(C)(C)COc1ccc2cnccc2c1 34a_100000046372_100000701081 [0,2,0,0,0,0|2,0,0]=4 9812 B18R2.5834 COC(C)(C)COc1ccc2ncccc2c1 34a_100011215586_100000701081 [0,2,0,0,0,0|2,0,0]=4 9813 B18R2.5834 COC(C)(C)COc1cnc2ccccc2c1 34a_100011934006_100000701081 [0,2,0,0,0,0|2,0,0]=4 9814 B18R2.5834 COC(C)(C)CSc1ccc2ccccc2c1 62a_100000701081_100000233703 [0,2,0,0,0,0|1,1,0]=4 9815 B18R2.6889 C#CC(CC)OCc1ccc2ccccc2c1 34a_100000758843_100011216711 [0,2,0,0,0,0|2,0,0]=4 9816 B18R2.6889 C#CC(CC)OCc1ccc2ccccc2c1 7a_100000758843_100011216711 [0,2,0,0,0,0|2,0,0]=4 9817 B18R2.6889 C=CC(CC)OCc1ccc2ccccc2c1 34a_100000766422_100011216711 [0,2,0,0,0,0|2,0,0]=4 9818 B18R2.6889 C=CC(CC)OCc1ccc2ccccc2c1 7a_100000766422_100011216711 [0,2,0,0,0,0|2,0,0]=4 9819 B18R2.6889 CCC(CC)CNc1ccc2ccccc2c1 34a_100000211940_100011215472 [0,2,0,0,0,0|1,0,0]=3 9820 B18R2.6889 CCC(CC)CNc1ccc2ccccc2c1 7a_100000211940_100011215472 [0,2,0,0,0,0|1,0,0]=3 9821 B18R2.6889 CCC(CC)CNc1ccc2ccccc2n1 27a_100102946423_100011291633 [0,2,0,0,0,0|2,0,0]=4 9822 B18R2.6889 CCC(CC)CNc1ccc2cccnc2c1 34a_100102887122_100011215472 [0,2,0,0,0,0|2,0,0]=4 9823 B18R2.6889 CCC(CC)CNc1ccc2cnccc2c1 34a_100000039641_100011215472 [0,2,0,0,0,0|2,0,0]=4 9824 B18R2.6889 CCC(CC)CNc1ccc2ncccc2c1 34a_100011198106_100011215472 [0,2,0,0,0,0|2,0,0]=4 9825 B18R2.6889 CCC(CC)COc1ccc2ccccc2c1 34a_100000185828_100011215472 [0,2,0,0,0,0|0,0,0]=2 9826 B18R2.6889 CCC(CC)COc1ccc2ccccc2c1 7a_100000185828_100011215472 [0,2,0,0,0,0|0,0,0]=2 9827 B18R2.6889 CCC(CC)COc1ccc2cccnc2c1 34a_100011216045_100011215472 [0,2,0,0,0,0|1,0,0]=3 9828 B18R2.6889 CCC(CC)COc1ccc2ccncc2c1 7a_100000752006_100011215472 [0,2,0,0,0,0|1,0,0]=3 9829 B18R2.6889 CCC(CC)COc1ccc2cnccc2c1 34a_100000046372_100011215472 [0,2,0,0,0,0|1,0,0]=3 9830 B18R2.6889 CCC(CC)COc1ccc2cnccc2c1 7a_100000046372_100011215472 [0,2,0,0,0,0|1,0,0]=3 9831 B18R2.6889 CCC(CC)COc1ccc2ncccc2c1 34a_100011215586_100011215472 [0,2,0,0,0,0|1,0,0]=3 9832 B18R2.6889 CCC(CC)COc1ccc2ncccc2c1 7a_100011215586_100011215472 [0,2,0,0,0,0|1,0,0]=3 9833 B18R2.6889 CCC(CC)COc1ccc2nccnc2c1 34a_100000694412_100011215472 [0,2,0,0,0,0|2,0,0]=4 9834 B18R2.6889 CCC(CC)COc1cnc2ccccc2c1 34a_100011934006_100011215472 [0,2,0,0,0,0|1,0,0]=3 9835 B18R2.6889 CCC(CC)COc1cnc2ccccc2c1 7a_100011934006_100011215472 [0,2,0,0,0,0|1,0,0]=3 9836 B18R2.6889 CCC(CC)CSc1cc2ccccc2cn1 62a_100009816522_100011215472 [0,2,0,0,0,0|1,1,0]=4 9837 B18R2.6889 CCC(CC)CSc1cc2ccccc2cn1 62a_100011215472_100000047361 [0,2,0,0,0,0|1,1,0]=4 9838 B18R2.6889 CCC(CC)CSc1ccc2ccccc2n1 62a_100011215472_100011291633 [0,2,0,0,0,0|1,1,0]=4 9839 B18R2.6889 CCC(CC)CSc1ccc2ccccc2n1 62a_100011291633_100011215472 [0,2,0,0,0,0|1,1,0]=4 9840 B18R2.6889 CCC(CC)CSc1ccc2cccnc2c1 62a_100011215472_100009816655 [0,2,0,0,0,0|1,1,0]=4 9841 B18R2.6889 CCC(CC)CSc1ccc2ccncc2c1 62a_100000686496_100011215472 [0,2,0,0,0,0|1,1,0]=4 9842 B18R2.6889 CCC(CC)CSc1ccc2ccncc2c1 62a_100011215472_100000686496 [0,2,0,0,0,0|1,1,0]=4 9843 B18R2.6889 CCC(CC)CSc1ccc2cnccc2c1 62a_100009816743_100011215472 [0,2,0,0,0,0|1,1,0]=4 9844 B18R2.6889 CCC(CC)CSc1ccc2cnccc2c1 62a_100011215472_100009816743 [0,2,0,0,0,0|1,1,0]=4 9845 B18R2.6889 CCC(CC)CSc1ccc2ncccc2c1 62a_100011215472_100011215947 [0,2,0,0,0,0|1,1,0]=4 9846 B18R2.6889 CCC(CC)CSc1ccc2ncccc2c1 62a_100011215947_100011215472 [0,2,0,0,0,0|1,1,0]=4 9847 B18R2.6889 CCC(CC)CSc1cnc2ccccc2c1 62a_100011215472_100000737414 [0,2,0,0,0,0|1,1,0]=4 9848 B18R2.6889 CCC(CC)NCc1ccc2ccccc2c1 207a_100000199018_100000211584 [0,2,0,0,0,0|2,0,0]=4 9849 B18R2.6889 CCC(CC)NCc1ccc2ccccc2c1 2230a_100000199018_100011216711 [0,2,0,0,0,0|2,0,0]=4 9850 B18R2.6889 CCC(CC)NCc1ccc2ccccc2c1 270004a_100000199018_100000211584 [0,2,0,0,0,0|2,0,0]=4 9851 B18R2.6889 CCC(CC)NCc1ccc2ccccc2c1 270004a_100000739491_100000210860 [0,2,0,0,0,0|2,0,0]=4 9852 B18R2.6889 CCC(CC)OCc1ccc2ccccc2c1 7a_100000688536_100011216711 [0,2,0,0,0,0|2,0,0]=4 9853 B18R2.6889 CCC(CC)OCc1ccc2ccccc2c1 7a_100011215330_100000210505 [0,2,0,0,0,0|2,0,0]=4 9854 B18R2.6889 CCC(CNc1ccc2ccccc2n1)OC 27a_100000731041_100011291633 [0,2,0,0,0,0|2,0,0]=4 9855 B18R2.6889 CC[C@@H](CO)NCc1ccc2ccccc2c1 207a_100000709445_100000211584 [0,2,0,0,0,0|2,0,0]=4 9856 B18R2.6889 CC[C@@H](CO)NCc1ccc2ccccc2c1 2230a_100000709445_100011216711 [0,2,0,0,0,0|2,0,0]=4 9857 B18R2.6889 CC[C@@H](CO)NCc1ccc2ccccc2c1 270004a_100000709445_100000211584 [0,2,0,0,0,0|2,0,0]=4 9858 B18R2.6889 COC(CNc1ccc2ccccc2c1)OC 34a_100000211940_100000211822 [0,2,0,0,0,0|2,0,0]=4 9859 B18R2.6889 COC(CNc1ccc2ccccc2c1)OC 7a_100000211940_100000751394 [0,2,0,0,0,0|2,0,0]=4 9860 B18R2.6889 COC(COc1ccc2ccccc2c1)OC 34a_100000185828_100000211822 [0,2,0,0,0,0|1,0,0]=3 9861 B18R2.6889 COC(COc1ccc2ccccc2c1)OC 7a_100000185828_100000751394 [0,2,0,0,0,0|1,0,0]=3 9862 B18R2.6889 COC(COc1ccc2cccnc2c1)OC 34a_100011216045_100000211822 [0,2,0,0,0,0|2,0,0]=4 9863 B18R2.6889 COC(COc1ccc2ccncc2c1)OC 7a_100000752006_100000751394 [0,2,0,0,0,0|2,0,0]=4 9864 B18R2.6889 COC(COc1ccc2cnccc2c1)OC 34a_100000046372_100000211822 [0,2,0,0,0,0|2,0,0]=4 9865 B18R2.6889 COC(COc1ccc2cnccc2c1)OC 7a_100000046372_100000751394 [0,2,0,0,0,0|2,0,0]=4 9866 B18R2.6889 COC(COc1ccc2ncccc2c1)OC 34a_100011215586_100000211822 [0,2,0,0,0,0|2,0,0]=4 9867 B18R2.6889 COC(COc1ccc2ncccc2c1)OC 7a_100011215586_100000751394 [0,2,0,0,0,0|2,0,0]=4 9868 B18R2.6889 COC(COc1cnc2ccccc2c1)OC 34a_100011934006_100000211822 [0,2,0,0,0,0|2,0,0]=4 9869 B18R2.6889 COC(COc1cnc2ccccc2c1)OC 7a_100011934006_100000751394 [0,2,0,0,0,0|2,0,0]=4 9870 B18R2.6889 COC(CSc1ccc2ccccc2c1)OC 62a_100000751394_100000233703 [0,2,0,0,0,0|1,1,0]=4 9871 B18R2.8028 CCC(=O)CC(=O)c1ccc2ccccc2c1 1458a_100000210414_100000211431 [0,2,0,0,0,0|1,0,1]=4 9872 B18R2.8028 CCC(=O)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000747405 [0,2,0,0,0,0|1,0,1]=4 9873 B18R2.8028 CCC(=O)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100000747405 [0,2,0,0,0,0|1,0,1]=4 9874 B18R2.8028 CCC(C)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000748023 [0,2,0,0,0,0|1,0,0]=3 9875 B18R2.8028 CCC(C)CC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000748023 [0,2,0,0,0,0|2,0,0]=4 9876 B18R2.8028 CCC(C)CC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000748023 [0,2,0,0,0,0|2,0,0]=4 9877 B18R2.8028 CCC(C)CC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000748023 [0,2,0,0,0,0|2,0,0]=4 9878 B18R2.8028 CCC(C)CC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000748023 [0,2,0,0,0,0|2,0,0]=4 9879 B18R2.8028 CCC(C)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100000748023 [0,2,0,0,0,0|1,0,0]=3 9880 B18R2.8028 CCC(C)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100000748023 [0,2,0,0,0,0|1,0,0]=3 9881 B18R2.8028 CCC(C)CN(C)c1ccc2ccccc2c1 34a_100000181211_100000748023 [0,2,0,0,0,0|1,0,0]=3 9882 B18R2.8028 CCC(C)CN(C)c1ccc2ccccc2n1 27a_100000753921_100011291633 [0,2,0,0,0,0|2,0,0]=4 9883 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 11a_100000209981_100000210637 [0,2,0,0,0,0|2,0,0]=4 9884 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 1626a_100000209981_100000210637 [0,2,0,0,0,0|2,0,0]=4 9885 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 240690a_100000209981_100000210637 [0,2,0,0,0,0|2,0,0]=4 9886 B18R2.8028 CCC(C)NC(=O)c1ccc2ccccc2c1 527a_100000209981_100000210637 [0,2,0,0,0,0|2,0,0]=4 9887 B18R2.8028 CCC(C)NC(C)c1ccc2ccccc2c1 2230a_100000737073_100000758301 [0,2,0,0,0,0|2,0,0]=4 9888 B18R2.8028 CCC(C)NC(C)c1ccc2ccccc2c1 269862a_100000209981_100000210793 [0,2,0,0,0,0|2,0,0]=4 9889 B18R2.8028 CCC(C)OC(C)c1ccc2ccccc2c1 34a_100011215343_100011215416 [0,2,0,0,0,0|2,0,0]=4 9890 B18R2.8028 CCC(C)OC(C)c1ccc2ccccc2c1 7a_100011215343_100000758301 [0,2,0,0,0,0|2,0,0]=4 9891 B18R2.8028 CCC(O)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100011218378 [0,2,0,0,0,0|1,0,0]=3 9892 B18R2.8028 CCC(O)CC(=O)c1ccc2cccnc2c1 1458a_100011933907_100011218378 [0,2,0,0,0,0|2,0,0]=4 9893 B18R2.8028 CCC(O)CC(=O)c1ccc2ccncc2c1 1458a_100000070124_100011218378 [0,2,0,0,0,0|2,0,0]=4 9894 B18R2.8028 CCC(O)CC(=O)c1ccc2cnccc2c1 1458a_100011935275_100011218378 [0,2,0,0,0,0|2,0,0]=4 9895 B18R2.8028 CCC(O)CC(=O)c1ccc2ncccc2c1 1458a_100011216044_100011218378 [0,2,0,0,0,0|2,0,0]=4 9896 B18R2.8028 CCC(O)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100011218378 [0,2,0,0,0,0|1,0,0]=3 9897 B18R2.8028 CCC(O)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100011218378 [0,2,0,0,0,0|1,0,0]=3 9898 B18R2.8028 CCC(O)CN(C)c1ccc2ccccc2c1 34a_100000181211_100011218378 [0,2,0,0,0,0|1,0,0]=3 9899 B18R2.8028 CCN(C)CC(=O)c1ccc2ccccc2c1 2230a_100000225621_100000211431 [0,2,0,0,0,0|2,0,0]=4 9900 B18R2.8028 CCN(C)CC(=O)c1ccc2ccccc2c1 269982a_100000225621_100000211431 [0,2,0,0,0,0|2,0,0]=4 9901 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100009816398 [0,2,0,0,0,0|1,0,0]=3 9902 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2cccnc2c1 1458a_100011933907_100009816398 [0,2,0,0,0,0|2,0,0]=4 9903 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2ccncc2c1 1458a_100000070124_100009816398 [0,2,0,0,0,0|2,0,0]=4 9904 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2cnccc2c1 1458a_100011935275_100009816398 [0,2,0,0,0,0|2,0,0]=4 9905 B18R2.8028 CC[C@H](C)CC(=O)c1ccc2ncccc2c1 1458a_100011216044_100009816398 [0,2,0,0,0,0|2,0,0]=4 9906 B18R2.8028 CC[C@H](C)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100009816398 [0,2,0,0,0,0|1,0,0]=3 9907 B18R2.8028 CC[C@H](C)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100009816398 [0,2,0,0,0,0|1,0,0]=3 9908 B18R2.8028 CC[C@H](C)CN(C)c1ccc2ccccc2c1 34a_100000181211_100009816398 [0,2,0,0,0,0|1,0,0]=3 9909 B18R2.8028 CN(CC(O)CO)c1ccc2ccccc2c1 2230a_100000181211_100011219619 [0,2,0,0,0,0|2,0,0]=4 9910 B18R2.8028 CN(CC(O)CO)c1ccc2ccccc2c1 34a_100000181211_100011219619 [0,2,0,0,0,0|2,0,0]=4 9911 B18R2.8028 CN(C[C@@H](O)CF)c1ccc2ccccc2c1 2230a_100000181211_100015614560 [0,2,0,0,0,0|2,0,0]=4 9912 B18R2.8028 CN(C[C@@H](O)CF)c1ccc2ccccc2c1 34a_100000181211_100015614560 [0,2,0,0,0,0|2,0,0]=4 9913 B18R2.8028 CN(C[C@@H](O)CO)c1ccc2ccccc2c1 2230a_100000181211_100009815848 [0,2,0,0,0,0|2,0,0]=4 9914 B18R2.8028 CN(C[C@@H](O)CO)c1ccc2ccccc2c1 34a_100000181211_100009815848 [0,2,0,0,0,0|2,0,0]=4 9915 B18R2.8028 C[C@@H](CO)CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000059175 [0,2,0,0,0,0|2,0,0]=4 9916 B18R2.8028 C[C@@H](CO)CN(C)c1ccc2ccccc2c1 2230a_100000181211_100000059175 [0,2,0,0,0,0|2,0,0]=4 9917 B18R2.8028 C[C@@H](CO)CN(C)c1ccc2ccccc2c1 269982a_100000181211_100000059175 [0,2,0,0,0,0|2,0,0]=4 9918 B18R2.8028 C[C@@H](CO)CN(C)c1ccc2ccccc2c1 34a_100000181211_100000059175 [0,2,0,0,0,0|2,0,0]=4 9919 B18R2.8085 C#CCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000184674 [0,2,0,0,0,0|0,0,2]=4 9920 B18R2.8085 C#CCC(C)OCc1ccc2ccccc2c1 34a_100000685586_100011216711 [0,2,0,0,0,0|0,0,2]=4 9921 B18R2.8085 C#CCC(C)OCc1ccc2ccccc2c1 7a_100000685586_100011216711 [0,2,0,0,0,0|0,0,2]=4 9922 B18R2.8085 C/C=C/C(C)OCc1ccc2ccccc2c1 34a_200102604097_100011216711 [0,2,0,0,0,0|0,0,2]=4 9923 B18R2.8085 C=CCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210623 [0,2,0,0,0,0|0,0,2]=4 9924 B18R2.8085 C=CC[C@@H](C)OCc1ccc2ccccc2c1 34a_100000731007_100011216711 [0,2,0,0,0,0|0,0,2]=4 9925 B18R2.8085 C=CC[C@@H](C)OCc1ccc2ccccc2c1 7a_100000731007_100011216711 [0,2,0,0,0,0|0,0,2]=4 9926 B18R2.8085 CC#CC(C)OCc1ccc2ccccc2c1 34a_100011216543_100011216711 [0,2,0,0,0,0|0,0,2]=4 9927 B18R2.8085 CC(CC#N)OCc1ccc2ccccc2c1 7a_100011215330_100009813641 [0,2,0,0,0,0|1,0,1]=4 9928 B18R2.8085 CC(CCBr)OCc1cc2ccccc2cn1 34a_100012276601_100009869231 [0,2,0,0,0,0|2,0,0]=4 9929 B18R2.8085 CC(CCBr)OCc1ccc2ccccc2c1 34a_100012276601_100011216711 [0,2,0,0,0,0|1,0,0]=3 9930 B18R2.8085 CC(CCBr)OCc1ccc2ccccc2n1 34a_100012276601_100000737579 [0,2,0,0,0,0|2,0,0]=4 9931 B18R2.8085 CC(CCBr)OCc1ccc2cnccc2c1 34a_100012276601_100020605334 [0,2,0,0,0,0|2,0,0]=4 9932 B18R2.8085 CC(CCBr)OCc1ccc2ncccc2c1 34a_100012276601_100000703657 [0,2,0,0,0,0|2,0,0]=4 9933 B18R2.8085 CC(CCO)NCc1ccc2ccccc2c1 2230a_100000739491_100009893172 [0,2,0,0,0,0|2,0,0]=4 9934 B18R2.8085 CC(CCO)NCc1ccc2ccccc2c1 34a_100000739491_100009893172 [0,2,0,0,0,0|2,0,0]=4 9935 B18R2.8085 CC(CCO)OCc1ccc2ccccc2c1 34a_100011215330_100009893172 [0,2,0,0,0,0|1,0,0]=3 9936 B18R2.8085 CC(CCO)OCc1ccc2ccccc2c1 7a_100011215330_100009893172 [0,2,0,0,0,0|1,0,0]=3 9937 B18R2.8085 CC(CCO)OCc1ccc2ncccc2c1 34a_100011315636_100009893172 [0,2,0,0,0,0|2,0,0]=4 9938 B18R2.8085 CC(CCO)OCc1cnc2ccccc2c1 34a_100011258773_100009893172 [0,2,0,0,0,0|2,0,0]=4 9939 B18R2.8085 CC(CCO)SCc1ccc2ccccc2c1 62a_100009893172_100011216711 [0,2,0,0,0,0|1,1,0]=4 9940 B18R2.8085 CC(CCO)SCc1ccc2ccccc2c1 62a_100011216711_100009893172 [0,2,0,0,0,0|1,1,0]=4 9941 B18R2.8085 CCCC(=NNc1ccc2ccccc2c1)C 4a_100016987534_100000211909 [0,2,0,0,0,0|1,0,1]=4 9942 B18R2.8085 CCCC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_100000210303 [0,2,0,0,0,0|1,0,0]=3 9943 B18R2.8085 CCCC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000747444 [0,2,0,0,0,0|1,0,0]=3 9944 B18R2.8085 CCCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210303 [0,2,0,0,0,0|0,0,0]=2 9945 B18R2.8085 CCCC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000747444 [0,2,0,0,0,0|0,0,0]=2 9946 B18R2.8085 CCCC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000747444 [0,2,0,0,0,0|1,0,0]=3 9947 B18R2.8085 CCCC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000747444 [0,2,0,0,0,0|1,0,0]=3 9948 B18R2.8085 CCCC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000747444 [0,2,0,0,0,0|1,0,0]=3 9949 B18R2.8085 CCCC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000747444 [0,2,0,0,0,0|1,0,0]=3 9950 B18R2.8085 CCCC(=O)CSc1cc2ccccc2cn1 62a_100000747444_100000047361 [0,2,0,0,0,0|1,1,0]=4 9951 B18R2.8085 CCCC(=O)CSc1cc2ccccc2cn1 62a_100009816522_100000747444 [0,2,0,0,0,0|1,1,0]=4 9952 B18R2.8085 CCCC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_100000210303 [0,2,0,0,0,0|0,1,0]=3 9953 B18R2.8085 CCCC(=O)CSc1ccc2ccccc2c1 62a_100000747444_100000233703 [0,2,0,0,0,0|0,1,0]=3 9954 B18R2.8085 CCCC(=O)CSc1ccc2ccccc2n1 62a_100000747444_100011291633 [0,2,0,0,0,0|1,1,0]=4 9955 B18R2.8085 CCCC(=O)CSc1ccc2ccccc2n1 62a_100011291633_100000747444 [0,2,0,0,0,0|1,1,0]=4 9956 B18R2.8085 CCCC(=O)CSc1ccc2cccnc2c1 62a_100000747444_100009816655 [0,2,0,0,0,0|1,1,0]=4 9957 B18R2.8085 CCCC(=O)CSc1ccc2ccncc2c1 62a_100000686496_100000747444 [0,2,0,0,0,0|1,1,0]=4 9958 B18R2.8085 CCCC(=O)CSc1ccc2ccncc2c1 62a_100000747444_100000686496 [0,2,0,0,0,0|1,1,0]=4 9959 B18R2.8085 CCCC(=O)CSc1ccc2cnccc2c1 62a_100000747444_100009816743 [0,2,0,0,0,0|1,1,0]=4 9960 B18R2.8085 CCCC(=O)CSc1ccc2cnccc2c1 62a_100009816743_100000747444 [0,2,0,0,0,0|1,1,0]=4 9961 B18R2.8085 CCCC(=O)CSc1ccc2ncccc2c1 62a_100000747444_100011215947 [0,2,0,0,0,0|1,1,0]=4 9962 B18R2.8085 CCCC(=O)CSc1ccc2ncccc2c1 62a_100011215947_100000747444 [0,2,0,0,0,0|1,1,0]=4 9963 B18R2.8085 CCCC(=O)CSc1cnc2ccccc2c1 62a_100000747444_100000737414 [0,2,0,0,0,0|1,1,0]=4 9964 B18R2.8085 CCCC(=O)NCc1ccc2ccccc2c1 11a_100000739491_100000211992 [0,2,0,0,0,0|1,0,1]=4 9965 B18R2.8085 CCCC(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100000211992 [0,2,0,0,0,0|1,0,1]=4 9966 B18R2.8085 CCCC(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100000211992 [0,2,0,0,0,0|1,0,1]=4 9967 B18R2.8085 CCCC(=O)NCc1ccc2ccccc2c1 527a_100000739491_100000211992 [0,2,0,0,0,0|1,0,1]=4 9968 B18R2.8085 CCCC(=O)NNc1ccc2ccccc2c1 22a_100016987534_100000211992 [0,2,0,0,0,0|1,0,1]=4 9969 B18R2.8085 CCCC(C)CNc1ccc2ccccc2c1 34a_100000211940_100011216630 [0,2,0,0,0,0|1,0,0]=3 9970 B18R2.8085 CCCC(C)CNc1ccc2ccccc2c1 7a_100000211940_100011216630 [0,2,0,0,0,0|1,0,0]=3 9971 B18R2.8085 CCCC(C)CNc1ccc2cccnc2c1 34a_100102887122_100011216630 [0,2,0,0,0,0|2,0,0]=4 9972 B18R2.8085 CCCC(C)CNc1ccc2cnccc2c1 34a_100000039641_100011216630 [0,2,0,0,0,0|2,0,0]=4 9973 B18R2.8085 CCCC(C)CNc1ccc2ncccc2c1 34a_100011198106_100011216630 [0,2,0,0,0,0|2,0,0]=4 9974 B18R2.8085 CCCC(C)COc1ccc2ccccc2c1 34a_100000185828_100011216630 [0,2,0,0,0,0|0,0,0]=2 9975 B18R2.8085 CCCC(C)COc1ccc2ccccc2c1 7a_100000185828_100011216630 [0,2,0,0,0,0|0,0,0]=2 9976 B18R2.8085 CCCC(C)COc1ccc2cccnc2c1 34a_100011216045_100011216630 [0,2,0,0,0,0|1,0,0]=3 9977 B18R2.8085 CCCC(C)COc1ccc2ccncc2c1 7a_100000752006_100011216630 [0,2,0,0,0,0|1,0,0]=3 9978 B18R2.8085 CCCC(C)COc1ccc2cnccc2c1 34a_100000046372_100011216630 [0,2,0,0,0,0|1,0,0]=3 9979 B18R2.8085 CCCC(C)COc1ccc2cnccc2c1 7a_100000046372_100011216630 [0,2,0,0,0,0|1,0,0]=3 9980 B18R2.8085 CCCC(C)COc1ccc2ncccc2c1 34a_100011215586_100011216630 [0,2,0,0,0,0|1,0,0]=3 9981 B18R2.8085 CCCC(C)COc1ccc2ncccc2c1 7a_100011215586_100011216630 [0,2,0,0,0,0|1,0,0]=3 9982 B18R2.8085 CCCC(C)COc1ccc2nccnc2c1 34a_100000694412_100011216630 [0,2,0,0,0,0|2,0,0]=4 9983 B18R2.8085 CCCC(C)COc1cnc2ccccc2c1 34a_100011934006_100011216630 [0,2,0,0,0,0|1,0,0]=3 9984 B18R2.8085 CCCC(C)COc1cnc2ccccc2c1 7a_100011934006_100011216630 [0,2,0,0,0,0|1,0,0]=3 9985 B18R2.8085 CCCC(C)CSc1cc2ccccc2cn1 62a_100009816522_100011216630 [0,2,0,0,0,0|1,1,0]=4 9986 B18R2.8085 CCCC(C)CSc1cc2ccccc2cn1 62a_100011216630_100000047361 [0,2,0,0,0,0|1,1,0]=4 9987 B18R2.8085 CCCC(C)CSc1ccc2ccccc2n1 62a_100011216630_100011291633 [0,2,0,0,0,0|1,1,0]=4 9988 B18R2.8085 CCCC(C)CSc1ccc2ccccc2n1 62a_100011291633_100011216630 [0,2,0,0,0,0|1,1,0]=4 9989 B18R2.8085 CCCC(C)CSc1ccc2cccnc2c1 62a_100011216630_100009816655 [0,2,0,0,0,0|1,1,0]=4 9990 B18R2.8085 CCCC(C)CSc1ccc2ccncc2c1 62a_100000686496_100011216630 [0,2,0,0,0,0|1,1,0]=4 9991 B18R2.8085 CCCC(C)CSc1ccc2ccncc2c1 62a_100011216630_100000686496 [0,2,0,0,0,0|1,1,0]=4 9992 B18R2.8085 CCCC(C)CSc1ccc2cnccc2c1 62a_100009816743_100011216630 [0,2,0,0,0,0|1,1,0]=4 9993 B18R2.8085 CCCC(C)CSc1ccc2cnccc2c1 62a_100011216630_100009816743 [0,2,0,0,0,0|1,1,0]=4 9994 B18R2.8085 CCCC(C)CSc1ccc2ncccc2c1 62a_100011215947_100011216630 [0,2,0,0,0,0|1,1,0]=4 9995 B18R2.8085 CCCC(C)CSc1ccc2ncccc2c1 62a_100011216630_100011215947 [0,2,0,0,0,0|1,1,0]=4 9996 B18R2.8085 CCCC(C)CSc1cnc2ccccc2c1 62a_100011216630_100000737414 [0,2,0,0,0,0|1,1,0]=4 9997 B18R2.8085 CCCC(C)NCc1cc2ccccc2cn1 207a_100000741246_100000059776 [0,2,0,0,0,0|2,0,0]=4 9998 B18R2.8085 CCCC(C)NCc1cc2ccccc2cn1 2230a_100000741246_100009869231 [0,2,0,0,0,0|2,0,0]=4 9999 B18R2.8085 CCCC(C)NCc1cc2ccccc2cn1 270004a_100000741246_100000059776 [0,2,0,0,0,0|2,0,0]=4 10000 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 207a_100000741246_100000211584 [0,2,0,0,0,0|1,0,0]=3 10001 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000766640 [0,2,0,0,0,0|1,0,0]=3 10002 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 2230a_100000741246_100011216711 [0,2,0,0,0,0|1,0,0]=3 10003 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 270004a_100000739491_100000211909 [0,2,0,0,0,0|1,0,0]=3 10004 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 270004a_100000741246_100000211584 [0,2,0,0,0,0|1,0,0]=3 10005 B18R2.8085 CCCC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000766640 [0,2,0,0,0,0|1,0,0]=3 10006 B18R2.8085 CCCC(C)NCc1ccc2ccccc2n1 207a_100000741246_100000759686 [0,2,0,0,0,0|2,0,0]=4 10007 B18R2.8085 CCCC(C)NCc1ccc2ccccc2n1 2230a_100000741246_100000737579 [0,2,0,0,0,0|2,0,0]=4 10008 B18R2.8085 CCCC(C)NCc1ccc2ccccc2n1 270004a_100000741246_100000759686 [0,2,0,0,0,0|2,0,0]=4 10009 B18R2.8085 CCCC(C)NCc1ccc2cccnc2c1 207a_100000741246_100011784159 [0,2,0,0,0,0|2,0,0]=4 10010 B18R2.8085 CCCC(C)NCc1ccc2cccnc2c1 270004a_100000741246_100011784159 [0,2,0,0,0,0|2,0,0]=4 10011 B18R2.8085 CCCC(C)NCc1ccc2cnccc2c1 207a_100000741246_100000068276 [0,2,0,0,0,0|2,0,0]=4 10012 B18R2.8085 CCCC(C)NCc1ccc2cnccc2c1 2230a_100000741246_100020605334 [0,2,0,0,0,0|2,0,0]=4 10013 B18R2.8085 CCCC(C)NCc1ccc2cnccc2c1 270004a_100000741246_100000068276 [0,2,0,0,0,0|2,0,0]=4 10014 B18R2.8085 CCCC(C)NCc1ccc2ncccc2c1 207a_100000741246_100000211315 [0,2,0,0,0,0|2,0,0]=4 10015 B18R2.8085 CCCC(C)NCc1ccc2ncccc2c1 2230a_100000741246_100000703657 [0,2,0,0,0,0|2,0,0]=4 10016 B18R2.8085 CCCC(C)NCc1ccc2ncccc2c1 270004a_100000238500_100000211909 [0,2,0,0,0,0|2,0,0]=4 10017 B18R2.8085 CCCC(C)NCc1ccc2ncccc2c1 270004a_100000741246_100000211315 [0,2,0,0,0,0|2,0,0]=4 10018 B18R2.8085 CCCC(C)NCc1ccc2ncccc2c1 34a_100000238500_100000766640 [0,2,0,0,0,0|2,0,0]=4 10019 B18R2.8085 CCCC(C)NCc1cnc2ccccc2c1 207a_100000741246_100000750898 [0,2,0,0,0,0|2,0,0]=4 10020 B18R2.8085 CCCC(C)NCc1cnc2ccccc2c1 270004a_100000741246_100000750898 [0,2,0,0,0,0|2,0,0]=4 10021 B18R2.8085 CCCC(C)NCc1cnc2ccccc2c1 270004a_100000742225_100000211909 [0,2,0,0,0,0|2,0,0]=4 10022 B18R2.8085 CCCC(C)NCc1cnc2ccccc2c1 34a_100000742225_100000766640 [0,2,0,0,0,0|2,0,0]=4 10023 B18R2.8085 CCCC(C)OCc1cc2ccccc2cn1 34a_100000764384_100009869231 [0,2,0,0,0,0|1,0,0]=3 10024 B18R2.8085 CCCC(C)OCc1cc2ccccc2cn1 7a_100000764384_100009869231 [0,2,0,0,0,0|1,0,0]=3 10025 B18R2.8085 CCCC(C)OCc1ccc2ccccc2c1 34a_100000764384_100011216711 [0,2,0,0,0,0|0,0,0]=2 10026 B18R2.8085 CCCC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000766640 [0,2,0,0,0,0|0,0,0]=2 10027 B18R2.8085 CCCC(C)OCc1ccc2ccccc2c1 7a_100000764384_100011216711 [0,2,0,0,0,0|0,0,0]=2 10028 B18R2.8085 CCCC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000766640 [0,2,0,0,0,0|0,0,0]=2 10029 B18R2.8085 CCCC(C)OCc1ccc2ccccc2n1 34a_100000764384_100000737579 [0,2,0,0,0,0|1,0,0]=3 10030 B18R2.8085 CCCC(C)OCc1ccc2ccccc2n1 7a_100000764384_100000737579 [0,2,0,0,0,0|1,0,0]=3 10031 B18R2.8085 CCCC(C)OCc1ccc2cnccc2c1 34a_100000764384_100020605334 [0,2,0,0,0,0|1,0,0]=3 10032 B18R2.8085 CCCC(C)OCc1ccc2cnccc2c1 7a_100000764384_100020605334 [0,2,0,0,0,0|1,0,0]=3 10033 B18R2.8085 CCCC(C)OCc1ccc2ncccc2c1 34a_100000764384_100000703657 [0,2,0,0,0,0|1,0,0]=3 10034 B18R2.8085 CCCC(C)OCc1ccc2ncccc2c1 34a_100011315636_100000766640 [0,2,0,0,0,0|1,0,0]=3 10035 B18R2.8085 CCCC(C)OCc1ccc2ncccc2c1 7a_100000764384_100000703657 [0,2,0,0,0,0|1,0,0]=3 10036 B18R2.8085 CCCC(C)OCc1ccc2nccnc2c1 7a_100000764384_200011762199 [0,2,0,0,0,0|2,0,0]=4 10037 B18R2.8085 CCCC(C)OCc1cnc2ccccc2c1 34a_100011258773_100000766640 [0,2,0,0,0,0|1,0,0]=3 10038 B18R2.8085 CCCC(C)OCc1cnc2ccccc2n1 7a_100000764384_200000751123 [0,2,0,0,0,0|2,0,0]=4 10039 B18R2.8085 CCCC(C)OCc1ncc2ccccc2n1 34a_100000764384_100009868571 [0,2,0,0,0,0|2,0,0]=4 10040 B18R2.8085 CCCC(C)OCc1ncc2ccccc2n1 7a_100000764384_100009868571 [0,2,0,0,0,0|2,0,0]=4 10041 B18R2.8085 CCCC(C)SCc1cc2ccccc2cn1 62a_100000766640_100009869231 [0,2,0,0,0,0|1,1,0]=4 10042 B18R2.8085 CCCC(C)SCc1cc2ccccc2cn1 62a_100009869231_100000766640 [0,2,0,0,0,0|1,1,0]=4 10043 B18R2.8085 CCCC(C)SCc1ccc2ccccc2n1 62a_100000737579_100000766640 [0,2,0,0,0,0|1,1,0]=4 10044 B18R2.8085 CCCC(C)SCc1ccc2ccccc2n1 62a_100000766640_100000737579 [0,2,0,0,0,0|1,1,0]=4 10045 B18R2.8085 CCCC(C)SCc1ccc2cnccc2c1 62a_100000766640_100020605334 [0,2,0,0,0,0|1,1,0]=4 10046 B18R2.8085 CCCC(C)SCc1ccc2cnccc2c1 62a_100020605334_100000766640 [0,2,0,0,0,0|1,1,0]=4 10047 B18R2.8085 CCCC(C)SCc1ccc2ncccc2c1 62a_100000703657_100000766640 [0,2,0,0,0,0|1,1,0]=4 10048 B18R2.8085 CCCC(C)SCc1ccc2ncccc2c1 62a_100000766640_100000703657 [0,2,0,0,0,0|1,1,0]=4 10049 B18R2.8085 CCNC(=O)CCc1ccc2ccccc2c1 11a_100015525214_100000743016 [0,2,0,0,0,0|1,0,1]=4 10050 B18R2.8085 CCNC(=O)CCc1ccc2ccccc2c1 240690a_100015525214_100000743016 [0,2,0,0,0,0|1,0,1]=4 10051 B18R2.8085 CCNC(=O)CCc1ccc2ccccc2c1 527a_100015525214_100000743016 [0,2,0,0,0,0|1,0,1]=4 10052 B18R2.8085 CCNC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000183381 [0,2,0,0,0,0|1,0,1]=4 10053 B18R2.8085 CCNC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000183381 [0,2,0,0,0,0|1,0,1]=4 10054 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 11a_100015525214_100000185456 [0,2,0,0,0,0|0,0,1]=3 10055 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 240690a_100015525214_100000185456 [0,2,0,0,0,0|0,0,1]=3 10056 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000183381 [0,2,0,0,0,0|0,0,1]=3 10057 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 527a_100015525214_100000185456 [0,2,0,0,0,0|0,0,1]=3 10058 B18R2.8085 CCNC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000183381 [0,2,0,0,0,0|0,0,1]=3 10059 B18R2.8085 CCNC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000183381 [0,2,0,0,0,0|1,0,1]=4 10060 B18R2.8085 CCNC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000183381 [0,2,0,0,0,0|1,0,1]=4 10061 B18R2.8085 CCNC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000183381 [0,2,0,0,0,0|1,0,1]=4 10062 B18R2.8085 CCNC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000183381 [0,2,0,0,0,0|1,0,1]=4 10063 B18R2.8085 CCNC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000183381 [0,2,0,0,0,0|1,0,1]=4 10064 B18R2.8085 CCNC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000183381 [0,2,0,0,0,0|1,0,1]=4 10065 B18R2.8085 CCNC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000183381 [0,2,0,0,0,0|1,0,1]=4 10066 B18R2.8085 CCNC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000183381 [0,2,0,0,0,0|1,0,1]=4 10067 B18R2.8085 CCNC(=O)CSc1ccc2ccccc2c1 11a_100015525214_100000181792 [0,2,0,0,0,0|0,1,1]=4 10068 B18R2.8085 CCNC(=O)CSc1ccc2ccccc2c1 240690a_100015525214_100000181792 [0,2,0,0,0,0|0,1,1]=4 10069 B18R2.8085 CCNC(=O)CSc1ccc2ccccc2c1 527a_100015525214_100000181792 [0,2,0,0,0,0|0,1,1]=4 10070 B18R2.8085 CCNC(=O)CSc1ccc2ccccc2c1 62a_100000183381_100000233703 [0,2,0,0,0,0|0,1,1]=4 10071 B18R2.8085 CCOC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000188475 [0,2,0,0,0,0|1,0,1]=4 10072 B18R2.8085 CCOC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000188475 [0,2,0,0,0,0|1,0,1]=4 10073 B18R2.8085 CCOC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000188475 [0,2,0,0,0,0|0,0,1]=3 10074 B18R2.8085 CCOC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000188475 [0,2,0,0,0,0|0,0,1]=3 10075 B18R2.8085 CCOC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000188475 [0,2,0,0,0,0|1,0,1]=4 10076 B18R2.8085 CCOC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000188475 [0,2,0,0,0,0|1,0,1]=4 10077 B18R2.8085 CCOC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000188475 [0,2,0,0,0,0|1,0,1]=4 10078 B18R2.8085 CCOC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000188475 [0,2,0,0,0,0|1,0,1]=4 10079 B18R2.8085 CCOC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000188475 [0,2,0,0,0,0|1,0,1]=4 10080 B18R2.8085 CCOC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000188475 [0,2,0,0,0,0|1,0,1]=4 10081 B18R2.8085 CCOC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000188475 [0,2,0,0,0,0|1,0,1]=4 10082 B18R2.8085 CCOC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000188475 [0,2,0,0,0,0|1,0,1]=4 10083 B18R2.8085 CCOC(=O)CSc1ccc2ccccc2c1 62a_100000188475_100000233703 [0,2,0,0,0,0|0,1,1]=4 10084 B18R2.8085 CNNC(=O)COc1ccc2ccccc2c1 22a_100016993582_100000185456 [0,2,0,0,0,0|1,0,1]=4 10085 B18R2.8085 COCC(C)NCc1ccc2ccccc2c1 2230a_100000739491_100000765312 [0,2,0,0,0,0|2,0,0]=4 10086 B18R2.8085 COCC(C)NCc1ccc2ccccc2c1 270004a_100000739491_100000749346 [0,2,0,0,0,0|2,0,0]=4 10087 B18R2.8085 COCC(C)NCc1ccc2ccccc2c1 34a_100000739491_100000765312 [0,2,0,0,0,0|2,0,0]=4 10088 B18R2.8085 COCC(C)OCc1ccc2ccccc2c1 34a_100011215330_100000765312 [0,2,0,0,0,0|1,0,0]=3 10089 B18R2.8085 COCC(C)OCc1ccc2ccccc2c1 7a_100011215330_100000765312 [0,2,0,0,0,0|1,0,0]=3 10090 B18R2.8085 COCC(C)OCc1ccc2ncccc2c1 34a_100011315636_100000765312 [0,2,0,0,0,0|2,0,0]=4 10091 B18R2.8085 COCC(C)OCc1cnc2ccccc2c1 34a_100011258773_100000765312 [0,2,0,0,0,0|2,0,0]=4 10092 B18R2.8085 COCC(C)SCc1ccc2ccccc2c1 62a_100000765312_100011216711 [0,2,0,0,0,0|1,1,0]=4 10093 B18R2.8085 COCC(C)SCc1ccc2ccccc2c1 62a_100011216711_100000765312 [0,2,0,0,0,0|1,1,0]=4 10094 B18R2.8085 COCC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011215053 [0,2,0,0,0,0|1,0,0]=3 10095 B18R2.8085 COCC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011215053 [0,2,0,0,0,0|1,0,0]=3 10096 B18R2.8085 COCC(O)CNc1ccc2ccccc2n1 27a_100000756049_100011291633 [0,2,0,0,0,0|2,0,0]=4 10097 B18R2.8085 COCC(O)CNc1ccc2cccnc2c1 34a_100102887122_100011215053 [0,2,0,0,0,0|2,0,0]=4 10098 B18R2.8085 COCC(O)CNc1ccc2cnccc2c1 34a_100000039641_100011215053 [0,2,0,0,0,0|2,0,0]=4 10099 B18R2.8085 COCC(O)CNc1ccc2ncccc2c1 34a_100011198106_100011215053 [0,2,0,0,0,0|2,0,0]=4 10100 B18R2.8085 COCC(O)COc1ccc2ccccc2c1 34a_100000185828_100011215053 [0,2,0,0,0,0|0,0,0]=2 10101 B18R2.8085 COCC(O)COc1ccc2ccccc2c1 7a_100000185828_100011215053 [0,2,0,0,0,0|0,0,0]=2 10102 B18R2.8085 COCC(O)COc1ccc2cccnc2c1 34a_100011216045_100011215053 [0,2,0,0,0,0|1,0,0]=3 10103 B18R2.8085 COCC(O)COc1ccc2ccncc2c1 7a_100000752006_100011215053 [0,2,0,0,0,0|1,0,0]=3 10104 B18R2.8085 COCC(O)COc1ccc2cnccc2c1 34a_100000046372_100011215053 [0,2,0,0,0,0|1,0,0]=3 10105 B18R2.8085 COCC(O)COc1ccc2cnccc2c1 7a_100000046372_100011215053 [0,2,0,0,0,0|1,0,0]=3 10106 B18R2.8085 COCC(O)COc1ccc2ncccc2c1 34a_100011215586_100011215053 [0,2,0,0,0,0|1,0,0]=3 10107 B18R2.8085 COCC(O)COc1ccc2ncccc2c1 7a_100011215586_100011215053 [0,2,0,0,0,0|1,0,0]=3 10108 B18R2.8085 COCC(O)COc1ccc2nccnc2c1 34a_100000694412_100011215053 [0,2,0,0,0,0|2,0,0]=4 10109 B18R2.8085 COCC(O)COc1cnc2ccccc2c1 34a_100011934006_100011215053 [0,2,0,0,0,0|1,0,0]=3 10110 B18R2.8085 COCC(O)COc1cnc2ccccc2c1 7a_100011934006_100011215053 [0,2,0,0,0,0|1,0,0]=3 10111 B18R2.8085 COCC(O)CSc1cc2ccccc2cn1 62a_100009816522_100011215053 [0,2,0,0,0,0|1,1,0]=4 10112 B18R2.8085 COCC(O)CSc1cc2ccccc2cn1 62a_100011215053_100000047361 [0,2,0,0,0,0|1,1,0]=4 10113 B18R2.8085 COCC(O)CSc1ccc2ccccc2c1 62a_100011215053_100000233703 [0,2,0,0,0,0|0,1,0]=3 10114 B18R2.8085 COCC(O)CSc1ccc2ccccc2n1 62a_100011215053_100011291633 [0,2,0,0,0,0|1,1,0]=4 10115 B18R2.8085 COCC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011215053 [0,2,0,0,0,0|1,1,0]=4 10116 B18R2.8085 COCC(O)CSc1ccc2cccnc2c1 62a_100011215053_100009816655 [0,2,0,0,0,0|1,1,0]=4 10117 B18R2.8085 COCC(O)CSc1ccc2ccncc2c1 62a_100000686496_100011215053 [0,2,0,0,0,0|1,1,0]=4 10118 B18R2.8085 COCC(O)CSc1ccc2ccncc2c1 62a_100011215053_100000686496 [0,2,0,0,0,0|1,1,0]=4 10119 B18R2.8085 COCC(O)CSc1ccc2cnccc2c1 62a_100009816743_100011215053 [0,2,0,0,0,0|1,1,0]=4 10120 B18R2.8085 COCC(O)CSc1ccc2cnccc2c1 62a_100011215053_100009816743 [0,2,0,0,0,0|1,1,0]=4 10121 B18R2.8085 COCC(O)CSc1ccc2ncccc2c1 62a_100011215053_100011215947 [0,2,0,0,0,0|1,1,0]=4 10122 B18R2.8085 COCC(O)CSc1ccc2ncccc2c1 62a_100011215947_100011215053 [0,2,0,0,0,0|1,1,0]=4 10123 B18R2.8085 COCC(O)CSc1cnc2ccccc2c1 62a_100011215053_100000737414 [0,2,0,0,0,0|1,1,0]=4 10124 B18R2.8085 COC[C@@H](C)NCc1ccc2ccccc2c1 207a_100000764878_100000211584 [0,2,0,0,0,0|2,0,0]=4 10125 B18R2.8085 COC[C@@H](C)NCc1ccc2ccccc2c1 2230a_100000764878_100011216711 [0,2,0,0,0,0|2,0,0]=4 10126 B18R2.8085 COC[C@@H](C)NCc1ccc2ccccc2c1 270004a_100000764878_100000211584 [0,2,0,0,0,0|2,0,0]=4 10127 B18R2.8085 COC[C@@H](C)OCc1cc2ccccc2cn1 34a_100011934205_100009869231 [0,2,0,0,0,0|2,0,0]=4 10128 B18R2.8085 COC[C@@H](C)OCc1ccc2ccccc2c1 34a_100011934205_100011216711 [0,2,0,0,0,0|1,0,0]=3 10129 B18R2.8085 COC[C@@H](C)OCc1ccc2ccccc2n1 34a_100011934205_100000737579 [0,2,0,0,0,0|2,0,0]=4 10130 B18R2.8085 COC[C@@H](C)OCc1ccc2cnccc2c1 34a_100011934205_100020605334 [0,2,0,0,0,0|2,0,0]=4 10131 B18R2.8085 COC[C@@H](C)OCc1ccc2ncccc2c1 34a_100011934205_100000703657 [0,2,0,0,0,0|2,0,0]=4 10132 B18R2.8085 CSCC(C)NCc1ccc2ccccc2c1 270004a_100000739491_100011216314 [0,2,0,0,0,0|2,0,0]=4 10133 B18R2.8085 C[C@H](CCO)NCc1ccc2ccccc2c1 207a_100000706166_100000211584 [0,2,0,0,0,0|2,0,0]=4 10134 B18R2.8085 C[C@H](CCO)NCc1ccc2ccccc2c1 2230a_100000706166_100011216711 [0,2,0,0,0,0|2,0,0]=4 10135 B18R2.8085 C[C@H](CCO)NCc1ccc2ccccc2c1 270004a_100000706166_100000211584 [0,2,0,0,0,0|2,0,0]=4 10136 B18R2.8085 C[C@H](CCO)NCc1ccc2ccccc2c1 34a_100000706166_100011216711 [0,2,0,0,0,0|2,0,0]=4 10137 B18R2.8085 N#CCC(=O)COc1ccc2ccccc2c1 1458a_100000185456_100011214920 [0,2,0,0,0,0|0,0,2]=4 10138 B18R2.8085 N#CC[C@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100000001066 [0,2,0,0,0,0|1,0,1]=4 10139 B18R2.8085 N#CC[C@H](O)COc1ccc2ccccc2c1 7a_100000185828_100000001066 [0,2,0,0,0,0|0,0,1]=3 10140 B18R2.8085 N#CC[C@H](O)COc1ccc2ccncc2c1 7a_100000752006_100000001066 [0,2,0,0,0,0|1,0,1]=4 10141 B18R2.8085 N#CC[C@H](O)COc1ccc2cnccc2c1 7a_100000046372_100000001066 [0,2,0,0,0,0|1,0,1]=4 10142 B18R2.8085 N#CC[C@H](O)COc1ccc2ncccc2c1 7a_100011215586_100000001066 [0,2,0,0,0,0|1,0,1]=4 10143 B18R2.8085 N#CC[C@H](O)COc1cnc2ccccc2c1 7a_100011934006_100000001066 [0,2,0,0,0,0|1,0,1]=4 10144 B18R2.8085 N#CC[C@H](O)CSc1ccc2ccccc2c1 62a_100000001066_100000233703 [0,2,0,0,0,0|0,1,1]=4 10145 B18R2.8085 O=C(CCF)CCc1ccc2ccccc2c1 1458a_100000743016_100011217306 [0,2,0,0,0,0|1,0,1]=4 10146 B18R2.8085 O=C(CCF)COc1ccc2ccccc2c1 1458a_100000185456_100011217306 [0,2,0,0,0,0|0,0,1]=3 10147 B18R2.8085 O=C(CCF)CSc1ccc2ccccc2c1 1458a_100000181792_100011217306 [0,2,0,0,0,0|0,1,1]=4 10148 B18R2.8085 O=C(CCO)CCc1ccc2ccccc2c1 1458a_100000743016_100000211926 [0,2,0,0,0,0|1,0,1]=4 10149 B18R2.8085 O=C(CCO)COc1ccc2ccccc2c1 1458a_100000185456_100000211926 [0,2,0,0,0,0|0,0,1]=3 10150 B18R2.8085 O=C(CCO)CSc1ccc2ccccc2c1 1458a_100000181792_100000211926 [0,2,0,0,0,0|0,1,1]=4 10151 B18R2.8085 O=C(COc1ccc2ccccc2c1)NCO 34a_100000185828_100000185155 [0,2,0,0,0,0|1,0,1]=4 10152 B18R2.8085 O=C(COc1ccc2ccccc2c1)NCO 7a_100000185828_100000185155 [0,2,0,0,0,0|1,0,1]=4 10153 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1Br 34a_100000183829_100000730141 [0,2,0,0,0,0|0,0,2]=4 10154 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1Br 7a_100000183829_100000730141 [0,2,0,0,0,0|0,0,2]=4 10155 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1C 34a_100009830054_100000730141 [0,2,0,0,0,0|0,0,2]=4 10156 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1C 7a_100009830054_100000730141 [0,2,0,0,0,0|0,0,2]=4 10157 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1Cl 34a_100000029778_100000730141 [0,2,0,0,0,0|0,0,2]=4 10158 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000730141 [0,2,0,0,0,0|0,0,2]=4 10159 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1I 34a_100000041551_100000730141 [0,2,0,0,0,0|0,0,2]=4 10160 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1I 7a_100000041551_100000730141 [0,2,0,0,0,0|0,0,2]=4 10161 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1N 34a_100000007056_100000730141 [0,2,0,0,0,0|0,0,2]=4 10162 B18R2.9347 C=CC(O)COc1ccc2ccccc2c1N 7a_100000007056_100000730141 [0,2,0,0,0,0|0,0,2]=4 10163 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1Br 7a_100000183829_100000747405 [0,2,0,0,0,0|0,0,1]=3 10164 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1C 7a_100009830054_100000747405 [0,2,0,0,0,0|0,0,1]=3 10165 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000747405 [0,2,0,0,0,0|0,0,1]=3 10166 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1I 7a_100000041551_100000747405 [0,2,0,0,0,0|0,0,1]=3 10167 B18R2.9347 CCC(=O)COc1ccc2ccccc2c1N 7a_100000007056_100000747405 [0,2,0,0,0,0|0,0,1]=3 10168 B18R2.9347 CCC(=O)COc1ccc2cccnc2c1Br 7a_100010173343_100000747405 [0,2,0,0,0,0|1,0,1]=4 10169 B18R2.9347 CCC(=O)COc1ccc2ccncc2c1Br 7a_200010115057_100000747405 [0,2,0,0,0,0|1,0,1]=4 10170 B18R2.9347 CCC(=O)COc1ccc2cnccc2c1Cl 7a_100009824633_100000747405 [0,2,0,0,0,0|1,0,1]=4 10171 B18R2.9347 CCC(=O)CSc1ccc2ccccc2c1Br 1458a_100021232008_100000210202 [0,2,0,0,0,0|0,1,1]=4 10172 B18R2.9347 CCC(=O)CSc1ccc2ccccc2c1Br 62a_100000747405_200010089984 [0,2,0,0,0,0|0,1,1]=4 10173 B18R2.9347 CCC(=O)CSc1ccc2ccccc2c1Br 62a_200010089984_100000747405 [0,2,0,0,0,0|0,1,1]=4 10174 B18R2.9347 CCC(=O)CSc1ccc2ccccc2c1C 62a_100000747405_100010221197 [0,2,0,0,0,0|0,1,1]=4 10175 B18R2.9347 CCC(=O)CSc1ccc2ccccc2c1C 62a_100010221197_100000747405 [0,2,0,0,0,0|0,1,1]=4 10176 B18R2.9347 CCC(=O)CSc1ccc2ccccc2c1F 62a_100000747405_100009832041 [0,2,0,0,0,0|0,1,1]=4 10177 B18R2.9347 CCC(=O)CSc1ccc2ccccc2c1F 62a_100009832041_100000747405 [0,2,0,0,0,0|0,1,1]=4 10178 B18R2.9347 CCC(=O)CSc1ccc2ccccc2c1N 62a_100009817101_100000747405 [0,2,0,0,0,0|0,1,1]=4 10179 B18R2.9347 CCC(=O)CSc1ccc2ccccc2c1O 62a_100000747405_100009996032 [0,2,0,0,0,0|0,1,1]=4 10180 B18R2.9347 CCC(C)CNc1ccc2ccccc2c1Cl 34a_100000075557_100000748023 [0,2,0,0,0,0|1,0,0]=3 10181 B18R2.9347 CCC(C)CNc1ccc2ccccc2c1O 34a_100000007060_100000748023 [0,2,0,0,0,0|1,0,0]=3 10182 B18R2.9347 CCC(C)CNc1ccc2cnccc2c1Cl 34a_100009851981_100000748023 [0,2,0,0,0,0|2,0,0]=4 10183 B18R2.9347 CCC(C)CNc1ccc2ncccc2c1Br 34a_200009995563_100000748023 [0,2,0,0,0,0|2,0,0]=4 10184 B18R2.9347 CCC(C)COc1ccc2ccccc2c1C 34a_100009830054_100000748023 [0,2,0,0,0,0|0,0,0]=2 10185 B18R2.9347 CCC(C)COc1ccc2ccccc2c1C 7a_100009830054_100000748023 [0,2,0,0,0,0|0,0,0]=2 10186 B18R2.9347 CCC(C)COc1ccc2ccccc2c1Cl 34a_100000029778_100000748023 [0,2,0,0,0,0|0,0,0]=2 10187 B18R2.9347 CCC(C)COc1ccc2ccccc2c1Cl 7a_100000029778_100000748023 [0,2,0,0,0,0|0,0,0]=2 10188 B18R2.9347 CCC(C)COc1ccc2ccccc2c1I 34a_100000041551_100000748023 [0,2,0,0,0,0|0,0,0]=2 10189 B18R2.9347 CCC(C)COc1ccc2ccccc2c1I 7a_100000041551_100000748023 [0,2,0,0,0,0|0,0,0]=2 10190 B18R2.9347 CCC(C)COc1ccc2ccccc2c1N 34a_100000007056_100000748023 [0,2,0,0,0,0|0,0,0]=2 10191 B18R2.9347 CCC(C)COc1ccc2ccccc2c1N 7a_100000007056_100000748023 [0,2,0,0,0,0|0,0,0]=2 10192 B18R2.9347 CCC(C)COc1ccc2cccnc2c1Br 34a_100010173343_100000748023 [0,2,0,0,0,0|1,0,0]=3 10193 B18R2.9347 CCC(C)COc1ccc2cccnc2c1Br 7a_100010173343_100000748023 [0,2,0,0,0,0|1,0,0]=3 10194 B18R2.9347 CCC(C)COc1ccc2ccncc2c1Br 34a_200010115057_100000748023 [0,2,0,0,0,0|1,0,0]=3 10195 B18R2.9347 CCC(C)COc1ccc2ccncc2c1Br 7a_200010115057_100000748023 [0,2,0,0,0,0|1,0,0]=3 10196 B18R2.9347 CCC(C)COc1ccc2cnccc2c1Cl 34a_100009824633_100000748023 [0,2,0,0,0,0|1,0,0]=3 10197 B18R2.9347 CCC(C)COc1ccc2cnccc2c1Cl 7a_100009824633_100000748023 [0,2,0,0,0,0|1,0,0]=3 10198 B18R2.9347 CCC(C)CSc1c[nH]c2ccccc2c1=O 62a_100000748023_100012348052 [0,2,0,0,0,0|1,1,0]=4 10199 B18R2.9347 CCC(C)CSc1ccc2ccccc2c1N 62a_100009817101_100000748023 [0,2,0,0,0,0|0,1,0]=3 10200 B18R2.9347 CCC(C)CSc1ccc2ccccc2c1O 62a_100000748023_100009996032 [0,2,0,0,0,0|0,1,0]=3 10201 B18R2.9347 CCC(C)CSc1ccc2cccnc2c1C 62a_100000748023_100010214467 [0,2,0,0,0,0|1,1,0]=4 10202 B18R2.9347 CCC(C)CSc1ccc2cccnc2c1F 62a_100000748023_100010751467 [0,2,0,0,0,0|1,1,0]=4 10203 B18R2.9347 CCC(C)CSc1ccc2cccnc2c1F 62a_100010751467_100000748023 [0,2,0,0,0,0|1,1,0]=4 10204 B18R2.9347 CCC(C)CSc1ccc2cccnc2c1O 62a_100000748023_100009816563 [0,2,0,0,0,0|1,1,0]=4 10205 B18R2.9347 CCC(C)CSc1ccc2cnccc2c1N 62a_100000748023_100010191621 [0,2,0,0,0,0|1,1,0]=4 10206 B18R2.9347 CCC(C)CSc1ccc2cnccc2c1N 62a_100010191621_100000748023 [0,2,0,0,0,0|1,1,0]=4 10207 B18R2.9347 CCC(C)CSc1ccc2ncccc2c1C 62a_100000748023_200010137439 [0,2,0,0,0,0|1,1,0]=4 10208 B18R2.9347 CCC(C)CSc1ccc2ncccc2c1C 62a_200010137439_100000748023 [0,2,0,0,0,0|1,1,0]=4 10209 B18R2.9347 CCC(C)CSc1ccc2ncccc2c1N 62a_200010235790_100000748023 [0,2,0,0,0,0|1,1,0]=4 10210 B18R2.9347 CCC(C)CSc1cnc2ccccc2c1N 62a_100000748023_100009995562 [0,2,0,0,0,0|1,1,0]=4 10211 B18R2.9347 CCC(C)CSc1cnc2ccccc2c1N 62a_100009995562_100000748023 [0,2,0,0,0,0|1,1,0]=4 10212 B18R2.9347 CCC(C)CSc1coc2ccccc2c1=O 62a_100000748023_100009813851 [0,2,0,0,0,0|1,1,0]=4 10213 B18R2.9347 CCC(C)CSc1ncc2ccccc2c1N 62a_100000748023_100000087573 [0,2,0,0,0,0|1,1,0]=4 10214 B18R2.9347 CCC(C)CSc1ncc2ccccc2c1N 62a_100009995564_100000748023 [0,2,0,0,0,0|1,1,0]=4 10215 B18R2.9347 CCC(C)NCc1ccc2ccccc2c1Br 207a_100000209981_100009813496 [0,2,0,0,0,0|2,0,0]=4 10216 B18R2.9347 CCC(C)NCc1ccc2ccccc2c1Br 2230a_100000209981_100009813938 [0,2,0,0,0,0|2,0,0]=4 10217 B18R2.9347 CCC(C)NCc1ccc2ccccc2c1Br 270004a_100000209981_100009813496 [0,2,0,0,0,0|2,0,0]=4 10218 B18R2.9347 CCC(C)OCc1ccc2ccccc2c1Br 7a_100000210228_100009813938 [0,2,0,0,0,0|2,0,0]=4 10219 B18R2.9347 CCC(O)CNc1ccc2ccccc2c1Br 34a_100000705303_100011218378 [0,2,0,0,0,0|1,0,0]=3 10220 B18R2.9347 CCC(O)CNc1ccc2ccccc2c1Cl 34a_100000075557_100011218378 [0,2,0,0,0,0|1,0,0]=3 10221 B18R2.9347 CCC(O)CNc1ccc2ccccc2c1O 34a_100000007060_100011218378 [0,2,0,0,0,0|1,0,0]=3 10222 B18R2.9347 CCC(O)CNc1ccc2cnccc2c1Cl 34a_100009851981_100011218378 [0,2,0,0,0,0|2,0,0]=4 10223 B18R2.9347 CCC(O)CNc1ccc2ncccc2c1Br 34a_200009995563_100011218378 [0,2,0,0,0,0|2,0,0]=4 10224 B18R2.9347 CCC(O)COc1ccc2ccccc2c1Br 34a_100000183829_100011218378 [0,2,0,0,0,0|0,0,0]=2 10225 B18R2.9347 CCC(O)COc1ccc2ccccc2c1Br 7a_100000183829_100011218378 [0,2,0,0,0,0|0,0,0]=2 10226 B18R2.9347 CCC(O)COc1ccc2ccccc2c1C 34a_100009830054_100011218378 [0,2,0,0,0,0|0,0,0]=2 10227 B18R2.9347 CCC(O)COc1ccc2ccccc2c1C 7a_100009830054_100011218378 [0,2,0,0,0,0|0,0,0]=2 10228 B18R2.9347 CCC(O)COc1ccc2ccccc2c1Cl 34a_100000029778_100011218378 [0,2,0,0,0,0|0,0,0]=2 10229 B18R2.9347 CCC(O)COc1ccc2ccccc2c1Cl 7a_100000029778_100011218378 [0,2,0,0,0,0|0,0,0]=2 10230 B18R2.9347 CCC(O)COc1ccc2ccccc2c1I 34a_100000041551_100011218378 [0,2,0,0,0,0|0,0,0]=2 10231 B18R2.9347 CCC(O)COc1ccc2ccccc2c1I 7a_100000041551_100011218378 [0,2,0,0,0,0|0,0,0]=2 10232 B18R2.9347 CCC(O)COc1ccc2ccccc2c1N 34a_100000007056_100011218378 [0,2,0,0,0,0|0,0,0]=2 10233 B18R2.9347 CCC(O)COc1ccc2ccccc2c1N 7a_100000007056_100011218378 [0,2,0,0,0,0|0,0,0]=2 10234 B18R2.9347 CCC(O)COc1ccc2cccnc2c1Br 34a_100010173343_100011218378 [0,2,0,0,0,0|1,0,0]=3 10235 B18R2.9347 CCC(O)COc1ccc2cccnc2c1Br 7a_100010173343_100011218378 [0,2,0,0,0,0|1,0,0]=3 10236 B18R2.9347 CCC(O)COc1ccc2ccncc2c1Br 34a_200010115057_100011218378 [0,2,0,0,0,0|1,0,0]=3 10237 B18R2.9347 CCC(O)COc1ccc2ccncc2c1Br 7a_200010115057_100011218378 [0,2,0,0,0,0|1,0,0]=3 10238 B18R2.9347 CCC(O)COc1ccc2cnccc2c1Cl 34a_100009824633_100011218378 [0,2,0,0,0,0|1,0,0]=3 10239 B18R2.9347 CCC(O)COc1ccc2cnccc2c1Cl 7a_100009824633_100011218378 [0,2,0,0,0,0|1,0,0]=3 10240 B18R2.9347 CCC(O)CSc1c[nH]c2ccccc2c1=O 62a_100011218378_100012348052 [0,2,0,0,0,0|1,1,0]=4 10241 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1Br 62a_100011218378_200010089984 [0,2,0,0,0,0|0,1,0]=3 10242 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1Br 62a_200010089984_100011218378 [0,2,0,0,0,0|0,1,0]=3 10243 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1C 62a_100010221197_100011218378 [0,2,0,0,0,0|0,1,0]=3 10244 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1C 62a_100011218378_100010221197 [0,2,0,0,0,0|0,1,0]=3 10245 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1F 62a_100009832041_100011218378 [0,2,0,0,0,0|0,1,0]=3 10246 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1F 62a_100011218378_100009832041 [0,2,0,0,0,0|0,1,0]=3 10247 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1N 62a_100009817101_100011218378 [0,2,0,0,0,0|0,1,0]=3 10248 B18R2.9347 CCC(O)CSc1ccc2ccccc2c1O 62a_100011218378_100009996032 [0,2,0,0,0,0|0,1,0]=3 10249 B18R2.9347 CCC(O)CSc1ccc2cccnc2c1C 62a_100011218378_100010214467 [0,2,0,0,0,0|1,1,0]=4 10250 B18R2.9347 CCC(O)CSc1ccc2cccnc2c1F 62a_100010751467_100011218378 [0,2,0,0,0,0|1,1,0]=4 10251 B18R2.9347 CCC(O)CSc1ccc2cccnc2c1F 62a_100011218378_100010751467 [0,2,0,0,0,0|1,1,0]=4 10252 B18R2.9347 CCC(O)CSc1ccc2cccnc2c1O 62a_100011218378_100009816563 [0,2,0,0,0,0|1,1,0]=4 10253 B18R2.9347 CCC(O)CSc1ccc2cnccc2c1N 62a_100010191621_100011218378 [0,2,0,0,0,0|1,1,0]=4 10254 B18R2.9347 CCC(O)CSc1ccc2cnccc2c1N 62a_100011218378_100010191621 [0,2,0,0,0,0|1,1,0]=4 10255 B18R2.9347 CCC(O)CSc1ccc2ncccc2c1C 62a_100011218378_200010137439 [0,2,0,0,0,0|1,1,0]=4 10256 B18R2.9347 CCC(O)CSc1ccc2ncccc2c1C 62a_200010137439_100011218378 [0,2,0,0,0,0|1,1,0]=4 10257 B18R2.9347 CCC(O)CSc1ccc2ncccc2c1N 62a_200010235790_100011218378 [0,2,0,0,0,0|1,1,0]=4 10258 B18R2.9347 CCC(O)CSc1cnc2ccccc2c1Cl 62a_100011218378_100012352519 [0,2,0,0,0,0|1,1,0]=4 10259 B18R2.9347 CCC(O)CSc1cnc2ccccc2c1N 62a_100009995562_100011218378 [0,2,0,0,0,0|1,1,0]=4 10260 B18R2.9347 CCC(O)CSc1cnc2ccccc2c1N 62a_100011218378_100009995562 [0,2,0,0,0,0|1,1,0]=4 10261 B18R2.9347 CCC(O)CSc1coc2ccccc2c1=O 62a_100011218378_100009813851 [0,2,0,0,0,0|1,1,0]=4 10262 B18R2.9347 CCC(O)CSc1ncc2ccccc2c1N 62a_100009995564_100011218378 [0,2,0,0,0,0|1,1,0]=4 10263 B18R2.9347 CCC(O)CSc1ncc2ccccc2c1N 62a_100011218378_100000087573 [0,2,0,0,0,0|1,1,0]=4 10264 B18R2.9347 CC[C@H](C)CNc1ccc2ccccc2c1Cl 34a_100000075557_100009816398 [0,2,0,0,0,0|1,0,0]=3 10265 B18R2.9347 CC[C@H](C)CNc1ccc2ccccc2c1O 34a_100000007060_100009816398 [0,2,0,0,0,0|1,0,0]=3 10266 B18R2.9347 CC[C@H](C)CNc1ccc2cnccc2c1Cl 34a_100009851981_100009816398 [0,2,0,0,0,0|2,0,0]=4 10267 B18R2.9347 CC[C@H](C)CNc1ccc2ncccc2c1Br 34a_200009995563_100009816398 [0,2,0,0,0,0|2,0,0]=4 10268 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1C 34a_100009830054_100009816398 [0,2,0,0,0,0|0,0,0]=2 10269 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1C 7a_100009830054_100009816398 [0,2,0,0,0,0|0,0,0]=2 10270 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1Cl 34a_100000029778_100009816398 [0,2,0,0,0,0|0,0,0]=2 10271 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1Cl 7a_100000029778_100009816398 [0,2,0,0,0,0|0,0,0]=2 10272 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1I 34a_100000041551_100009816398 [0,2,0,0,0,0|0,0,0]=2 10273 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1I 7a_100000041551_100009816398 [0,2,0,0,0,0|0,0,0]=2 10274 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1N 34a_100000007056_100009816398 [0,2,0,0,0,0|0,0,0]=2 10275 B18R2.9347 CC[C@H](C)COc1ccc2ccccc2c1N 7a_100000007056_100009816398 [0,2,0,0,0,0|0,0,0]=2 10276 B18R2.9347 CC[C@H](C)COc1ccc2cccnc2c1Br 34a_100010173343_100009816398 [0,2,0,0,0,0|1,0,0]=3 10277 B18R2.9347 CC[C@H](C)COc1ccc2cccnc2c1Br 7a_100010173343_100009816398 [0,2,0,0,0,0|1,0,0]=3 10278 B18R2.9347 CC[C@H](C)COc1ccc2ccncc2c1Br 34a_200010115057_100009816398 [0,2,0,0,0,0|1,0,0]=3 10279 B18R2.9347 CC[C@H](C)COc1ccc2ccncc2c1Br 7a_200010115057_100009816398 [0,2,0,0,0,0|1,0,0]=3 10280 B18R2.9347 CC[C@H](C)COc1ccc2cnccc2c1Cl 34a_100009824633_100009816398 [0,2,0,0,0,0|1,0,0]=3 10281 B18R2.9347 CC[C@H](C)COc1ccc2cnccc2c1Cl 7a_100009824633_100009816398 [0,2,0,0,0,0|1,0,0]=3 10282 B18R2.9347 CC[C@H](C)CSc1c[nH]c2ccccc2c1=O 62a_100009816398_100012348052 [0,2,0,0,0,0|1,1,0]=4 10283 B18R2.9347 CC[C@H](C)CSc1ccc2ccccc2c1N 62a_100009817101_100009816398 [0,2,0,0,0,0|0,1,0]=3 10284 B18R2.9347 CC[C@H](C)CSc1ccc2ccccc2c1O 62a_100009816398_100009996032 [0,2,0,0,0,0|0,1,0]=3 10285 B18R2.9347 CC[C@H](C)CSc1ccc2cccnc2c1C 62a_100009816398_100010214467 [0,2,0,0,0,0|1,1,0]=4 10286 B18R2.9347 CC[C@H](C)CSc1ccc2cccnc2c1F 62a_100009816398_100010751467 [0,2,0,0,0,0|1,1,0]=4 10287 B18R2.9347 CC[C@H](C)CSc1ccc2cccnc2c1F 62a_100010751467_100009816398 [0,2,0,0,0,0|1,1,0]=4 10288 B18R2.9347 CC[C@H](C)CSc1ccc2cccnc2c1O 62a_100009816398_100009816563 [0,2,0,0,0,0|1,1,0]=4 10289 B18R2.9347 CC[C@H](C)CSc1ccc2cnccc2c1N 62a_100009816398_100010191621 [0,2,0,0,0,0|1,1,0]=4 10290 B18R2.9347 CC[C@H](C)CSc1ccc2cnccc2c1N 62a_100010191621_100009816398 [0,2,0,0,0,0|1,1,0]=4 10291 B18R2.9347 CC[C@H](C)CSc1ccc2ncccc2c1C 62a_100009816398_200010137439 [0,2,0,0,0,0|1,1,0]=4 10292 B18R2.9347 CC[C@H](C)CSc1ccc2ncccc2c1C 62a_200010137439_100009816398 [0,2,0,0,0,0|1,1,0]=4 10293 B18R2.9347 CC[C@H](C)CSc1ccc2ncccc2c1N 62a_200010235790_100009816398 [0,2,0,0,0,0|1,1,0]=4 10294 B18R2.9347 CC[C@H](C)CSc1cnc2ccccc2c1N 62a_100009816398_100009995562 [0,2,0,0,0,0|1,1,0]=4 10295 B18R2.9347 CC[C@H](C)CSc1cnc2ccccc2c1N 62a_100009995562_100009816398 [0,2,0,0,0,0|1,1,0]=4 10296 B18R2.9347 CC[C@H](C)CSc1coc2ccccc2c1=O 62a_100009816398_100009813851 [0,2,0,0,0,0|1,1,0]=4 10297 B18R2.9347 CC[C@H](C)CSc1ncc2ccccc2c1N 62a_100009816398_100000087573 [0,2,0,0,0,0|1,1,0]=4 10298 B18R2.9347 CC[C@H](C)CSc1ncc2ccccc2c1N 62a_100009995564_100009816398 [0,2,0,0,0,0|1,1,0]=4 10299 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1Br 34a_100000183829_100000183359 [0,2,0,0,0,0|1,0,1]=4 10300 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1Br 7a_100000183829_100000183359 [0,2,0,0,0,0|1,0,1]=4 10301 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1C 34a_100009830054_100000183359 [0,2,0,0,0,0|1,0,1]=4 10302 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1C 7a_100009830054_100000183359 [0,2,0,0,0,0|1,0,1]=4 10303 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1Cl 34a_100000029778_100000183359 [0,2,0,0,0,0|1,0,1]=4 10304 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000183359 [0,2,0,0,0,0|1,0,1]=4 10305 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1I 34a_100000041551_100000183359 [0,2,0,0,0,0|1,0,1]=4 10306 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1I 7a_100000041551_100000183359 [0,2,0,0,0,0|1,0,1]=4 10307 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1N 34a_100000007056_100000183359 [0,2,0,0,0,0|1,0,1]=4 10308 B18R2.9347 CNC(=O)COc1ccc2ccccc2c1N 7a_100000007056_100000183359 [0,2,0,0,0,0|1,0,1]=4 10309 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Br 34a_100000183829_100000747449 [0,2,0,0,0,0|1,0,1]=4 10310 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Br 7a_100000183829_100000747449 [0,2,0,0,0,0|1,0,1]=4 10311 B18R2.9347 COC(=O)COc1ccc2ccccc2c1C 34a_100009830054_100000747449 [0,2,0,0,0,0|1,0,1]=4 10312 B18R2.9347 COC(=O)COc1ccc2ccccc2c1C 7a_100009830054_100000747449 [0,2,0,0,0,0|1,0,1]=4 10313 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Cl 34a_100000029778_100000747449 [0,2,0,0,0,0|1,0,1]=4 10314 B18R2.9347 COC(=O)COc1ccc2ccccc2c1Cl 7a_100000029778_100000747449 [0,2,0,0,0,0|1,0,1]=4 10315 B18R2.9347 COC(=O)COc1ccc2ccccc2c1I 34a_100000041551_100000747449 [0,2,0,0,0,0|1,0,1]=4 10316 B18R2.9347 COC(=O)COc1ccc2ccccc2c1I 7a_100000041551_100000747449 [0,2,0,0,0,0|1,0,1]=4 10317 B18R2.9347 COC(=O)COc1ccc2ccccc2c1N 34a_100000007056_100000747449 [0,2,0,0,0,0|1,0,1]=4 10318 B18R2.9347 COC(=O)COc1ccc2ccccc2c1N 7a_100000007056_100000747449 [0,2,0,0,0,0|1,0,1]=4 10319 B18R2.9347 C[C@@H](CO)CNc1ccc2ccccc2c1Br 34a_100000705303_100000059175 [0,2,0,0,0,0|2,0,0]=4 10320 B18R2.9347 C[C@@H](CO)CNc1ccc2ccccc2c1Cl 34a_100000075557_100000059175 [0,2,0,0,0,0|2,0,0]=4 10321 B18R2.9347 C[C@@H](CO)CNc1ccc2ccccc2c1O 34a_100000007060_100000059175 [0,2,0,0,0,0|2,0,0]=4 10322 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1Br 34a_100000183829_100000059175 [0,2,0,0,0,0|1,0,0]=3 10323 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1Br 7a_100000183829_100000059175 [0,2,0,0,0,0|1,0,0]=3 10324 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1Cl 34a_100000029778_100000059175 [0,2,0,0,0,0|1,0,0]=3 10325 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1Cl 7a_100000029778_100000059175 [0,2,0,0,0,0|1,0,0]=3 10326 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1I 34a_100000041551_100000059175 [0,2,0,0,0,0|1,0,0]=3 10327 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1I 7a_100000041551_100000059175 [0,2,0,0,0,0|1,0,0]=3 10328 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1N 34a_100000007056_100000059175 [0,2,0,0,0,0|1,0,0]=3 10329 B18R2.9347 C[C@@H](CO)COc1ccc2ccccc2c1N 7a_100000007056_100000059175 [0,2,0,0,0,0|1,0,0]=3 10330 B18R2.9347 C[C@@H](CO)COc1ccc2cccnc2c1Br 34a_100010173343_100000059175 [0,2,0,0,0,0|2,0,0]=4 10331 B18R2.9347 C[C@@H](CO)COc1ccc2cccnc2c1Br 7a_100010173343_100000059175 [0,2,0,0,0,0|2,0,0]=4 10332 B18R2.9347 C[C@@H](CO)COc1ccc2ccncc2c1Br 34a_200010115057_100000059175 [0,2,0,0,0,0|2,0,0]=4 10333 B18R2.9347 C[C@@H](CO)COc1ccc2ccncc2c1Br 7a_200010115057_100000059175 [0,2,0,0,0,0|2,0,0]=4 10334 B18R2.9347 C[C@@H](CO)COc1ccc2cnccc2c1Cl 34a_100009824633_100000059175 [0,2,0,0,0,0|2,0,0]=4 10335 B18R2.9347 C[C@@H](CO)COc1ccc2cnccc2c1Cl 7a_100009824633_100000059175 [0,2,0,0,0,0|2,0,0]=4 10336 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1Br 62a_100000059175_200010089984 [0,2,0,0,0,0|1,1,0]=4 10337 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1Br 62a_200010089984_100000059175 [0,2,0,0,0,0|1,1,0]=4 10338 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1F 62a_100000059175_100009832041 [0,2,0,0,0,0|1,1,0]=4 10339 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1F 62a_100009832041_100000059175 [0,2,0,0,0,0|1,1,0]=4 10340 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1N 62a_100009817101_100000059175 [0,2,0,0,0,0|1,1,0]=4 10341 B18R2.9347 C[C@@H](CO)CSc1ccc2ccccc2c1O 62a_100000059175_100009996032 [0,2,0,0,0,0|1,1,0]=4 10342 B18R2.9347 Cc1c(ccc2c1cccc2)OCC(O)CO 34a_100009830054_100011219619 [0,2,0,0,0,0|1,0,0]=3 10343 B18R2.9347 Cc1c(ccc2c1cccc2)OCC(O)CO 7a_100009830054_100011219619 [0,2,0,0,0,0|1,0,0]=3 10344 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](C)CO 34a_100009830054_100000059175 [0,2,0,0,0,0|1,0,0]=3 10345 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](C)CO 7a_100009830054_100000059175 [0,2,0,0,0,0|1,0,0]=3 10346 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](O)CF 34a_100009830054_100015614560 [0,2,0,0,0,0|1,0,0]=3 10347 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](O)CF 7a_100009830054_100015614560 [0,2,0,0,0,0|1,0,0]=3 10348 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](O)CO 34a_100009830054_100009815848 [0,2,0,0,0,0|1,0,0]=3 10349 B18R2.9347 Cc1c(ccc2c1cccc2)OC[C@@H](O)CO 7a_100009830054_100009815848 [0,2,0,0,0,0|1,0,0]=3 10350 B18R2.9347 Cc1c(ccc2c1cccc2)SCC(O)CO 62a_100010221197_100011219619 [0,2,0,0,0,0|1,1,0]=4 10351 B18R2.9347 Cc1c(ccc2c1cccc2)SCC(O)CO 62a_100011219619_100010221197 [0,2,0,0,0,0|1,1,0]=4 10352 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](C)CO 62a_100000059175_100010221197 [0,2,0,0,0,0|1,1,0]=4 10353 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](C)CO 62a_100010221197_100000059175 [0,2,0,0,0,0|1,1,0]=4 10354 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](O)CF 62a_100010221197_100015614560 [0,2,0,0,0,0|1,1,0]=4 10355 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100010221197 [0,2,0,0,0,0|1,1,0]=4 10356 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](O)CO 62a_100009815848_100010221197 [0,2,0,0,0,0|1,1,0]=4 10357 B18R2.9347 Cc1c(ccc2c1cccc2)SC[C@@H](O)CO 62a_100010221197_100009815848 [0,2,0,0,0,0|1,1,0]=4 10358 B18R2.9347 Nc1c(ccc2c1cccc2)OCC(O)CO 34a_100000007056_100011219619 [0,2,0,0,0,0|1,0,0]=3 10359 B18R2.9347 Nc1c(ccc2c1cccc2)OCC(O)CO 7a_100000007056_100011219619 [0,2,0,0,0,0|1,0,0]=3 10360 B18R2.9347 Nc1c(ccc2c1cccc2)OC[C@@H](O)CF 34a_100000007056_100015614560 [0,2,0,0,0,0|1,0,0]=3 10361 B18R2.9347 Nc1c(ccc2c1cccc2)OC[C@@H](O)CF 7a_100000007056_100015614560 [0,2,0,0,0,0|1,0,0]=3 10362 B18R2.9347 Nc1c(ccc2c1cccc2)OC[C@@H](O)CO 34a_100000007056_100009815848 [0,2,0,0,0,0|1,0,0]=3 10363 B18R2.9347 Nc1c(ccc2c1cccc2)OC[C@@H](O)CO 7a_100000007056_100009815848 [0,2,0,0,0,0|1,0,0]=3 10364 B18R2.9347 Nc1c(ccc2c1cccc2)SCC(O)CO 62a_100009817101_100011219619 [0,2,0,0,0,0|1,1,0]=4 10365 B18R2.9347 Nc1c(ccc2c1cccc2)SC[C@@H](O)CF 62a_100009817101_100015614560 [0,2,0,0,0,0|1,1,0]=4 10366 B18R2.9347 Nc1c(ccc2c1cccc2)SC[C@@H](O)CO 62a_100009817101_100009815848 [0,2,0,0,0,0|1,1,0]=4 10367 B18R2.9347 OCC(O)CNc1ccc2ccccc2c1Br 34a_100000705303_100011219619 [0,2,0,0,0,0|2,0,0]=4 10368 B18R2.9347 OCC(O)CNc1ccc2ccccc2c1Cl 34a_100000075557_100011219619 [0,2,0,0,0,0|2,0,0]=4 10369 B18R2.9347 OCC(O)CNc1ccc2ccccc2c1O 34a_100000007060_100011219619 [0,2,0,0,0,0|2,0,0]=4 10370 B18R2.9347 OCC(O)COc1ccc2ccccc2c1Br 34a_100000183829_100011219619 [0,2,0,0,0,0|1,0,0]=3 10371 B18R2.9347 OCC(O)COc1ccc2ccccc2c1Br 7a_100000183829_100011219619 [0,2,0,0,0,0|1,0,0]=3 10372 B18R2.9347 OCC(O)COc1ccc2ccccc2c1Cl 34a_100000029778_100011219619 [0,2,0,0,0,0|1,0,0]=3 10373 B18R2.9347 OCC(O)COc1ccc2ccccc2c1Cl 7a_100000029778_100011219619 [0,2,0,0,0,0|1,0,0]=3 10374 B18R2.9347 OCC(O)COc1ccc2ccccc2c1I 34a_100000041551_100011219619 [0,2,0,0,0,0|1,0,0]=3 10375 B18R2.9347 OCC(O)COc1ccc2ccccc2c1I 7a_100000041551_100011219619 [0,2,0,0,0,0|1,0,0]=3 10376 B18R2.9347 OCC(O)COc1ccc2cccnc2c1Br 34a_100010173343_100011219619 [0,2,0,0,0,0|2,0,0]=4 10377 B18R2.9347 OCC(O)COc1ccc2cccnc2c1Br 7a_100010173343_100011219619 [0,2,0,0,0,0|2,0,0]=4 10378 B18R2.9347 OCC(O)COc1ccc2ccncc2c1Br 34a_200010115057_100011219619 [0,2,0,0,0,0|2,0,0]=4 10379 B18R2.9347 OCC(O)COc1ccc2ccncc2c1Br 7a_200010115057_100011219619 [0,2,0,0,0,0|2,0,0]=4 10380 B18R2.9347 OCC(O)COc1ccc2cnccc2c1Cl 34a_100009824633_100011219619 [0,2,0,0,0,0|2,0,0]=4 10381 B18R2.9347 OCC(O)COc1ccc2cnccc2c1Cl 7a_100009824633_100011219619 [0,2,0,0,0,0|2,0,0]=4 10382 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1Br 62a_100011219619_200010089984 [0,2,0,0,0,0|1,1,0]=4 10383 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1Br 62a_200010089984_100011219619 [0,2,0,0,0,0|1,1,0]=4 10384 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1F 62a_100009832041_100011219619 [0,2,0,0,0,0|1,1,0]=4 10385 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1F 62a_100011219619_100009832041 [0,2,0,0,0,0|1,1,0]=4 10386 B18R2.9347 OCC(O)CSc1ccc2ccccc2c1O 62a_100011219619_100009996032 [0,2,0,0,0,0|1,1,0]=4 10387 B18R2.9347 OC[C@H](O)CNc1ccc2ccccc2c1Br 34a_100000705303_100009815848 [0,2,0,0,0,0|2,0,0]=4 10388 B18R2.9347 OC[C@H](O)CNc1ccc2ccccc2c1Cl 34a_100000075557_100009815848 [0,2,0,0,0,0|2,0,0]=4 10389 B18R2.9347 OC[C@H](O)CNc1ccc2ccccc2c1O 34a_100000007060_100009815848 [0,2,0,0,0,0|2,0,0]=4 10390 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1Br 34a_100000183829_100009815848 [0,2,0,0,0,0|1,0,0]=3 10391 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1Br 7a_100000183829_100009815848 [0,2,0,0,0,0|1,0,0]=3 10392 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1Cl 34a_100000029778_100009815848 [0,2,0,0,0,0|1,0,0]=3 10393 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1Cl 7a_100000029778_100009815848 [0,2,0,0,0,0|1,0,0]=3 10394 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1I 34a_100000041551_100009815848 [0,2,0,0,0,0|1,0,0]=3 10395 B18R2.9347 OC[C@H](O)COc1ccc2ccccc2c1I 7a_100000041551_100009815848 [0,2,0,0,0,0|1,0,0]=3 10396 B18R2.9347 OC[C@H](O)COc1ccc2cccnc2c1Br 34a_100010173343_100009815848 [0,2,0,0,0,0|2,0,0]=4 10397 B18R2.9347 OC[C@H](O)COc1ccc2cccnc2c1Br 7a_100010173343_100009815848 [0,2,0,0,0,0|2,0,0]=4 10398 B18R2.9347 OC[C@H](O)COc1ccc2ccncc2c1Br 34a_200010115057_100009815848 [0,2,0,0,0,0|2,0,0]=4 10399 B18R2.9347 OC[C@H](O)COc1ccc2ccncc2c1Br 7a_200010115057_100009815848 [0,2,0,0,0,0|2,0,0]=4 10400 B18R2.9347 OC[C@H](O)COc1ccc2cnccc2c1Cl 34a_100009824633_100009815848 [0,2,0,0,0,0|2,0,0]=4 10401 B18R2.9347 OC[C@H](O)COc1ccc2cnccc2c1Cl 7a_100009824633_100009815848 [0,2,0,0,0,0|2,0,0]=4 10402 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1Br 62a_100009815848_200010089984 [0,2,0,0,0,0|1,1,0]=4 10403 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1Br 62a_200010089984_100009815848 [0,2,0,0,0,0|1,1,0]=4 10404 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1F 62a_100009815848_100009832041 [0,2,0,0,0,0|1,1,0]=4 10405 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1F 62a_100009832041_100009815848 [0,2,0,0,0,0|1,1,0]=4 10406 B18R2.9347 OC[C@H](O)CSc1ccc2ccccc2c1O 62a_100009815848_100009996032 [0,2,0,0,0,0|1,1,0]=4 10407 B18R2.9347 O[C@@H](CF)CNc1ccc2ccccc2c1Br 34a_100000705303_100015614560 [0,2,0,0,0,0|2,0,0]=4 10408 B18R2.9347 O[C@@H](CF)CNc1ccc2ccccc2c1Cl 34a_100000075557_100015614560 [0,2,0,0,0,0|2,0,0]=4 10409 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1Br 34a_100000183829_100015614560 [0,2,0,0,0,0|1,0,0]=3 10410 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1Br 7a_100000183829_100015614560 [0,2,0,0,0,0|1,0,0]=3 10411 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1Cl 34a_100000029778_100015614560 [0,2,0,0,0,0|1,0,0]=3 10412 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1Cl 7a_100000029778_100015614560 [0,2,0,0,0,0|1,0,0]=3 10413 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1I 34a_100000041551_100015614560 [0,2,0,0,0,0|1,0,0]=3 10414 B18R2.9347 O[C@@H](CF)COc1ccc2ccccc2c1I 7a_100000041551_100015614560 [0,2,0,0,0,0|1,0,0]=3 10415 B18R2.9347 O[C@@H](CF)COc1ccc2cccnc2c1Br 34a_100010173343_100015614560 [0,2,0,0,0,0|2,0,0]=4 10416 B18R2.9347 O[C@@H](CF)COc1ccc2cccnc2c1Br 7a_100010173343_100015614560 [0,2,0,0,0,0|2,0,0]=4 10417 B18R2.9347 O[C@@H](CF)COc1ccc2ccncc2c1Br 34a_200010115057_100015614560 [0,2,0,0,0,0|2,0,0]=4 10418 B18R2.9347 O[C@@H](CF)COc1ccc2ccncc2c1Br 7a_200010115057_100015614560 [0,2,0,0,0,0|2,0,0]=4 10419 B18R2.9347 O[C@@H](CF)COc1ccc2cnccc2c1Cl 34a_100009824633_100015614560 [0,2,0,0,0,0|2,0,0]=4 10420 B18R2.9347 O[C@@H](CF)COc1ccc2cnccc2c1Cl 7a_100009824633_100015614560 [0,2,0,0,0,0|2,0,0]=4 10421 B18R2.9347 O[C@@H](CF)CSc1ccc2ccccc2c1Br 62a_100015614560_200010089984 [0,2,0,0,0,0|1,1,0]=4 10422 B18R2.9347 O[C@@H](CF)CSc1ccc2ccccc2c1Br 62a_200010089984_100015614560 [0,2,0,0,0,0|1,1,0]=4 10423 B18R2.9347 O[C@@H](CF)CSc1ccc2ccccc2c1F 62a_100009832041_100015614560 [0,2,0,0,0,0|1,1,0]=4 10424 B18R2.9347 O[C@@H](CF)CSc1ccc2ccccc2c1F 62a_100015614560_100009832041 [0,2,0,0,0,0|1,1,0]=4 10425 B18R2.9347 Oc1c(ccc2c1cccc2)NC[C@@H](O)CF 34a_100000007060_100015614560 [0,2,0,0,0,0|2,0,0]=4 10426 B18R2.9347 Oc1c(ccc2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100009996032 [0,2,0,0,0,0|1,1,0]=4 10427 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000730141 [0,2,0,0,0,0|0,0,2]=4 10428 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000730141 [0,2,0,0,0,0|0,0,2]=4 10429 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)C 34a_100000091598_100000730141 [0,2,0,0,0,0|0,0,2]=4 10430 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000730141 [0,2,0,0,0,0|0,0,2]=4 10431 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000730141 [0,2,0,0,0,0|0,0,2]=4 10432 B18R2.9994 C=CC(O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000730141 [0,2,0,0,0,0|0,0,2]=4 10433 B18R2.9994 CCC(=O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000747405 [0,2,0,0,0,0|1,0,1]=4 10434 B18R2.9994 CCC(=O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000747405 [0,2,0,0,0,0|1,0,1]=4 10435 B18R2.9994 CCC(=O)COc1ccc2ccc(=O)oc2c1 1458a_100000009627_100000210202 [0,2,0,0,0,0|1,0,1]=4 10436 B18R2.9994 CCC(=O)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000747405 [0,2,0,0,0,0|1,0,1]=4 10437 B18R2.9994 CCC(=O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000747405 [0,2,0,0,0,0|0,0,1]=3 10438 B18R2.9994 CCC(=O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000747405 [0,2,0,0,0,0|0,0,1]=3 10439 B18R2.9994 CCC(=O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000747405 [0,2,0,0,0,0|0,0,1]=3 10440 B18R2.9994 CCC(=O)COc1ccc2ccc(nc2c1)C 7a_100009867695_100000747405 [0,2,0,0,0,0|1,0,1]=4 10441 B18R2.9994 CCC(=O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000747405 [0,2,0,0,0,0|1,0,1]=4 10442 B18R2.9994 CCC(=O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000747405 [0,2,0,0,0,0|1,0,1]=4 10443 B18R2.9994 CCC(=O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000747405 [0,2,0,0,0,0|1,0,1]=4 10444 B18R2.9994 CCC(=O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000747405 [0,2,0,0,0,0|1,0,1]=4 10445 B18R2.9994 CCC(=O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000747405 [0,2,0,0,0,0|1,0,1]=4 10446 B18R2.9994 CCC(=O)CSc1ccc2ccc(cc2c1)N 62a_100000747405_100010090036 [0,2,0,0,0,0|0,1,1]=4 10447 B18R2.9994 CCC(=O)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000747405 [0,2,0,0,0,0|0,1,1]=4 10448 B18R2.9994 CCC(=O)CSc1ccc2ccc(cc2c1)O 62a_100000747405_100009816537 [0,2,0,0,0,0|0,1,1]=4 10449 B18R2.9994 CCC(C)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100000748023 [0,2,0,0,0,0|1,0,0]=3 10450 B18R2.9994 CCC(C)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000748023 [0,2,0,0,0,0|1,0,0]=3 10451 B18R2.9994 CCC(C)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000748023 [0,2,0,0,0,0|2,0,0]=4 10452 B18R2.9994 CCC(C)COc1cc2cc(ccc2cn1)F 34a_200000101709_100000748023 [0,2,0,0,0,0|1,0,0]=3 10453 B18R2.9994 CCC(C)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100000748023 [0,2,0,0,0,0|1,0,0]=3 10454 B18R2.9994 CCC(C)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000748023 [0,2,0,0,0,0|1,0,0]=3 10455 B18R2.9994 CCC(C)COc1ccc2ccc(cc2c1)C 34a_100000091598_100000748023 [0,2,0,0,0,0|0,0,0]=2 10456 B18R2.9994 CCC(C)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000748023 [0,2,0,0,0,0|0,0,0]=2 10457 B18R2.9994 CCC(C)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000748023 [0,2,0,0,0,0|0,0,0]=2 10458 B18R2.9994 CCC(C)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000748023 [0,2,0,0,0,0|0,0,0]=2 10459 B18R2.9994 CCC(C)COc1ccc2ccc(nc2c1)C 34a_100009867695_100000748023 [0,2,0,0,0,0|1,0,0]=3 10460 B18R2.9994 CCC(C)COc1ccc2ccc(nc2c1)C 7a_100009867695_100000748023 [0,2,0,0,0,0|1,0,0]=3 10461 B18R2.9994 CCC(C)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000748023 [0,2,0,0,0,0|1,0,0]=3 10462 B18R2.9994 CCC(C)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000748023 [0,2,0,0,0,0|1,0,0]=3 10463 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100000748023 [0,2,0,0,0,0|1,0,0]=3 10464 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000748023 [0,2,0,0,0,0|1,0,0]=3 10465 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000748023 [0,2,0,0,0,0|1,0,0]=3 10466 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000748023 [0,2,0,0,0,0|1,0,0]=3 10467 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)F 34a_100009845357_100000748023 [0,2,0,0,0,0|1,0,0]=3 10468 B18R2.9994 CCC(C)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000748023 [0,2,0,0,0,0|1,0,0]=3 10469 B18R2.9994 CCC(C)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000748023 [0,2,0,0,0,0|2,0,0]=4 10470 B18R2.9994 CCC(C)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100000748023 [0,2,0,0,0,0|1,0,0]=3 10471 B18R2.9994 CCC(C)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000748023 [0,2,0,0,0,0|1,0,0]=3 10472 B18R2.9994 CCC(C)CSc1cc2cc(ccc2cn1)F 62a_100000748023_100009828686 [0,2,0,0,0,0|1,1,0]=4 10473 B18R2.9994 CCC(C)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100000748023 [0,2,0,0,0,0|1,1,0]=4 10474 B18R2.9994 CCC(C)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100000748023_100009816120 [0,2,0,0,0,0|1,1,0]=4 10475 B18R2.9994 CCC(C)CSc1ccc2ccc(=O)oc2c1 62a_100000748023_100009993525 [0,2,0,0,0,0|1,1,0]=4 10476 B18R2.9994 CCC(C)CSc1ccc2ccc(cc2c1)N 62a_100000748023_100010090036 [0,2,0,0,0,0|0,1,0]=3 10477 B18R2.9994 CCC(C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000748023 [0,2,0,0,0,0|0,1,0]=3 10478 B18R2.9994 CCC(C)CSc1ccc2ccc(cc2c1)O 62a_100000748023_100009816537 [0,2,0,0,0,0|0,1,0]=3 10479 B18R2.9994 CCC(C)CSc1ccc2ccc(cc2n1)O 62a_100000748023_100000079174 [0,2,0,0,0,0|1,1,0]=4 10480 B18R2.9994 CCC(C)CSc1ccc2ccc(nc2c1)C 62a_100000748023_100009817087 [0,2,0,0,0,0|1,1,0]=4 10481 B18R2.9994 CCC(C)CSc1ccc2ccc(nc2c1)C 62a_100009817087_100000748023 [0,2,0,0,0,0|1,1,0]=4 10482 B18R2.9994 CCC(C)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100000748023 [0,2,0,0,0,0|1,1,0]=4 10483 B18R2.9994 CCC(C)CSc1ccc2ccc(nc2c1)O 62a_100000748023_100000690401 [0,2,0,0,0,0|1,1,0]=4 10484 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)F 62a_100000748023_100010291885 [0,2,0,0,0,0|1,1,0]=4 10485 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100000748023 [0,2,0,0,0,0|1,1,0]=4 10486 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)N 62a_100000748023_100009817123 [0,2,0,0,0,0|1,1,0]=4 10487 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100000748023 [0,2,0,0,0,0|1,1,0]=4 10488 B18R2.9994 CCC(C)CSc1ccc2cnc(cc2c1)O 62a_100000748023_100009817130 [0,2,0,0,0,0|1,1,0]=4 10489 B18R2.9994 CCC(C)CSc1ccc2ncc(cc2c1)C 62a_100000748023_100009817055 [0,2,0,0,0,0|1,1,0]=4 10490 B18R2.9994 CCC(C)CSc1ccc2ncc(cc2c1)O 62a_100000748023_100000703654 [0,2,0,0,0,0|1,1,0]=4 10491 B18R2.9994 CCC(C)CSc1cnc2ccc(cc2c1)C 62a_100000748023_100015841224 [0,2,0,0,0,0|1,1,0]=4 10492 B18R2.9994 CCC(C)CSc1cnc2ccc(cc2c1)N 62a_100000748023_100009888932 [0,2,0,0,0,0|1,1,0]=4 10493 B18R2.9994 CCC(C)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100000748023 [0,2,0,0,0,0|1,1,0]=4 10494 B18R2.9994 CCC(C)CSc1cnc2ccc(cc2c1)O 62a_100000748023_100010137430 [0,2,0,0,0,0|1,1,0]=4 10495 B18R2.9994 CCC(C)NCc1ccc2ccc(cc2c1)Br 207a_100000209981_100010200085 [0,2,0,0,0,0|2,0,0]=4 10496 B18R2.9994 CCC(C)NCc1ccc2ccc(cc2c1)Br 270004a_100000209981_100010200085 [0,2,0,0,0,0|2,0,0]=4 10497 B18R2.9994 CCC(O)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011218378 [0,2,0,0,0,0|1,0,0]=3 10498 B18R2.9994 CCC(O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011218378 [0,2,0,0,0,0|1,0,0]=3 10499 B18R2.9994 CCC(O)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100011218378 [0,2,0,0,0,0|1,0,0]=3 10500 B18R2.9994 CCC(O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100011218378 [0,2,0,0,0,0|1,0,0]=3 10501 B18R2.9994 CCC(O)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100011218378 [0,2,0,0,0,0|2,0,0]=4 10502 B18R2.9994 CCC(O)COc1cc2cc(ccc2cn1)F 34a_200000101709_100011218378 [0,2,0,0,0,0|1,0,0]=3 10503 B18R2.9994 CCC(O)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100011218378 [0,2,0,0,0,0|1,0,0]=3 10504 B18R2.9994 CCC(O)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100011218378 [0,2,0,0,0,0|1,0,0]=3 10505 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100011218378 [0,2,0,0,0,0|0,0,0]=2 10506 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100011218378 [0,2,0,0,0,0|0,0,0]=2 10507 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)C 34a_100000091598_100011218378 [0,2,0,0,0,0|0,0,0]=2 10508 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100011218378 [0,2,0,0,0,0|0,0,0]=2 10509 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100011218378 [0,2,0,0,0,0|0,0,0]=2 10510 B18R2.9994 CCC(O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100011218378 [0,2,0,0,0,0|0,0,0]=2 10511 B18R2.9994 CCC(O)COc1ccc2ccc(nc2c1)C 34a_100009867695_100011218378 [0,2,0,0,0,0|1,0,0]=3 10512 B18R2.9994 CCC(O)COc1ccc2ccc(nc2c1)C 7a_100009867695_100011218378 [0,2,0,0,0,0|1,0,0]=3 10513 B18R2.9994 CCC(O)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011218378 [0,2,0,0,0,0|1,0,0]=3 10514 B18R2.9994 CCC(O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011218378 [0,2,0,0,0,0|1,0,0]=3 10515 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100011218378 [0,2,0,0,0,0|1,0,0]=3 10516 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100011218378 [0,2,0,0,0,0|1,0,0]=3 10517 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011218378 [0,2,0,0,0,0|1,0,0]=3 10518 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011218378 [0,2,0,0,0,0|1,0,0]=3 10519 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)F 34a_100009845357_100011218378 [0,2,0,0,0,0|1,0,0]=3 10520 B18R2.9994 CCC(O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100011218378 [0,2,0,0,0,0|1,0,0]=3 10521 B18R2.9994 CCC(O)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100011218378 [0,2,0,0,0,0|2,0,0]=4 10522 B18R2.9994 CCC(O)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100011218378 [0,2,0,0,0,0|1,0,0]=3 10523 B18R2.9994 CCC(O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100011218378 [0,2,0,0,0,0|1,0,0]=3 10524 B18R2.9994 CCC(O)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100011218378 [0,2,0,0,0,0|1,1,0]=4 10525 B18R2.9994 CCC(O)CSc1cc2cc(ccc2cn1)F 62a_100011218378_100009828686 [0,2,0,0,0,0|1,1,0]=4 10526 B18R2.9994 CCC(O)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100011218378_100009816120 [0,2,0,0,0,0|1,1,0]=4 10527 B18R2.9994 CCC(O)CSc1ccc2ccc(=O)oc2c1 62a_100011218378_100009993525 [0,2,0,0,0,0|1,1,0]=4 10528 B18R2.9994 CCC(O)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100011218378 [0,2,0,0,0,0|0,1,0]=3 10529 B18R2.9994 CCC(O)CSc1ccc2ccc(cc2c1)N 62a_100011218378_100010090036 [0,2,0,0,0,0|0,1,0]=3 10530 B18R2.9994 CCC(O)CSc1ccc2ccc(cc2c1)O 62a_100011218378_100009816537 [0,2,0,0,0,0|0,1,0]=3 10531 B18R2.9994 CCC(O)CSc1ccc2ccc(cc2n1)O 62a_100011218378_100000079174 [0,2,0,0,0,0|1,1,0]=4 10532 B18R2.9994 CCC(O)CSc1ccc2ccc(nc2c1)C 62a_100009817087_100011218378 [0,2,0,0,0,0|1,1,0]=4 10533 B18R2.9994 CCC(O)CSc1ccc2ccc(nc2c1)C 62a_100011218378_100009817087 [0,2,0,0,0,0|1,1,0]=4 10534 B18R2.9994 CCC(O)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100011218378 [0,2,0,0,0,0|1,1,0]=4 10535 B18R2.9994 CCC(O)CSc1ccc2ccc(nc2c1)O 62a_100011218378_100000690401 [0,2,0,0,0,0|1,1,0]=4 10536 B18R2.9994 CCC(O)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100011218378 [0,2,0,0,0,0|1,1,0]=4 10537 B18R2.9994 CCC(O)CSc1ccc2cnc(cc2c1)F 62a_100011218378_100010291885 [0,2,0,0,0,0|1,1,0]=4 10538 B18R2.9994 CCC(O)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100011218378 [0,2,0,0,0,0|1,1,0]=4 10539 B18R2.9994 CCC(O)CSc1ccc2cnc(cc2c1)N 62a_100011218378_100009817123 [0,2,0,0,0,0|1,1,0]=4 10540 B18R2.9994 CCC(O)CSc1ccc2cnc(cc2c1)O 62a_100011218378_100009817130 [0,2,0,0,0,0|1,1,0]=4 10541 B18R2.9994 CCC(O)CSc1ccc2ncc(cc2c1)Br 62a_100011218378_200010254249 [0,2,0,0,0,0|1,1,0]=4 10542 B18R2.9994 CCC(O)CSc1ccc2ncc(cc2c1)Br 62a_200010254249_100011218378 [0,2,0,0,0,0|1,1,0]=4 10543 B18R2.9994 CCC(O)CSc1ccc2ncc(cc2c1)C 62a_100011218378_100009817055 [0,2,0,0,0,0|1,1,0]=4 10544 B18R2.9994 CCC(O)CSc1ccc2ncc(cc2c1)O 62a_100011218378_100000703654 [0,2,0,0,0,0|1,1,0]=4 10545 B18R2.9994 CCC(O)CSc1cnc2ccc(cc2c1)Br 62a_100010740133_100011218378 [0,2,0,0,0,0|1,1,0]=4 10546 B18R2.9994 CCC(O)CSc1cnc2ccc(cc2c1)Br 62a_100011218378_100010740133 [0,2,0,0,0,0|1,1,0]=4 10547 B18R2.9994 CCC(O)CSc1cnc2ccc(cc2c1)C 62a_100011218378_100015841224 [0,2,0,0,0,0|1,1,0]=4 10548 B18R2.9994 CCC(O)CSc1cnc2ccc(cc2c1)Cl 62a_100011218378_100015929906 [0,2,0,0,0,0|1,1,0]=4 10549 B18R2.9994 CCC(O)CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100011218378 [0,2,0,0,0,0|1,1,0]=4 10550 B18R2.9994 CCC(O)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100011218378 [0,2,0,0,0,0|1,1,0]=4 10551 B18R2.9994 CCC(O)CSc1cnc2ccc(cc2c1)N 62a_100011218378_100009888932 [0,2,0,0,0,0|1,1,0]=4 10552 B18R2.9994 CCC(O)CSc1cnc2ccc(cc2c1)O 62a_100011218378_100010137430 [0,2,0,0,0,0|1,1,0]=4 10553 B18R2.9994 CC[C@H](C)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100009816398 [0,2,0,0,0,0|1,0,0]=3 10554 B18R2.9994 CC[C@H](C)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100009816398 [0,2,0,0,0,0|1,0,0]=3 10555 B18R2.9994 CC[C@H](C)CNc1ccc2ncc(cc2c1)Br 34a_100009888932_100009816398 [0,2,0,0,0,0|2,0,0]=4 10556 B18R2.9994 CC[C@H](C)COc1cc2cc(ccc2cn1)F 34a_200000101709_100009816398 [0,2,0,0,0,0|1,0,0]=3 10557 B18R2.9994 CC[C@H](C)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100009816398 [0,2,0,0,0,0|1,0,0]=3 10558 B18R2.9994 CC[C@H](C)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100009816398 [0,2,0,0,0,0|1,0,0]=3 10559 B18R2.9994 CC[C@H](C)COc1ccc2ccc(cc2c1)C 34a_100000091598_100009816398 [0,2,0,0,0,0|0,0,0]=2 10560 B18R2.9994 CC[C@H](C)COc1ccc2ccc(cc2c1)C 7a_100000091598_100009816398 [0,2,0,0,0,0|0,0,0]=2 10561 B18R2.9994 CC[C@H](C)COc1ccc2ccc(cc2c1)N 34a_100015378740_100009816398 [0,2,0,0,0,0|0,0,0]=2 10562 B18R2.9994 CC[C@H](C)COc1ccc2ccc(cc2c1)N 7a_100015378740_100009816398 [0,2,0,0,0,0|0,0,0]=2 10563 B18R2.9994 CC[C@H](C)COc1ccc2ccc(nc2c1)C 34a_100009867695_100009816398 [0,2,0,0,0,0|1,0,0]=3 10564 B18R2.9994 CC[C@H](C)COc1ccc2ccc(nc2c1)C 7a_100009867695_100009816398 [0,2,0,0,0,0|1,0,0]=3 10565 B18R2.9994 CC[C@H](C)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100009816398 [0,2,0,0,0,0|1,0,0]=3 10566 B18R2.9994 CC[C@H](C)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100009816398 [0,2,0,0,0,0|1,0,0]=3 10567 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100009816398 [0,2,0,0,0,0|1,0,0]=3 10568 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100009816398 [0,2,0,0,0,0|1,0,0]=3 10569 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100009816398 [0,2,0,0,0,0|1,0,0]=3 10570 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100009816398 [0,2,0,0,0,0|1,0,0]=3 10571 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)F 34a_100009845357_100009816398 [0,2,0,0,0,0|1,0,0]=3 10572 B18R2.9994 CC[C@H](C)COc1ccc2ncc(cc2c1)F 7a_100009845357_100009816398 [0,2,0,0,0,0|1,0,0]=3 10573 B18R2.9994 CC[C@H](C)COc1ccc2ncc(nc2c1)Cl 34a_200020640061_100009816398 [0,2,0,0,0,0|2,0,0]=4 10574 B18R2.9994 CC[C@H](C)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100009816398 [0,2,0,0,0,0|1,0,0]=3 10575 B18R2.9994 CC[C@H](C)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100009816398 [0,2,0,0,0,0|1,0,0]=3 10576 B18R2.9994 CC[C@H](C)CSc1cc2cc(ccc2cn1)F 62a_100009816398_100009828686 [0,2,0,0,0,0|1,1,0]=4 10577 B18R2.9994 CC[C@H](C)CSc1cc2cc(ccc2cn1)F 62a_100009828686_100009816398 [0,2,0,0,0,0|1,1,0]=4 10578 B18R2.9994 CC[C@H](C)CSc1ccc2cc[n+](cc2c1)[O-] 62a_100009816398_100009816120 [0,2,0,0,0,0|1,1,0]=4 10579 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(=O)oc2c1 62a_100009816398_100009993525 [0,2,0,0,0,0|1,1,0]=4 10580 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(cc2c1)N 62a_100009816398_100010090036 [0,2,0,0,0,0|0,1,0]=3 10581 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100009816398 [0,2,0,0,0,0|0,1,0]=3 10582 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(cc2c1)O 62a_100009816398_100009816537 [0,2,0,0,0,0|0,1,0]=3 10583 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(cc2n1)O 62a_100009816398_100000079174 [0,2,0,0,0,0|1,1,0]=4 10584 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(nc2c1)C 62a_100009816398_100009817087 [0,2,0,0,0,0|1,1,0]=4 10585 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(nc2c1)C 62a_100009817087_100009816398 [0,2,0,0,0,0|1,1,0]=4 10586 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(nc2c1)N 62a_100010187616_100009816398 [0,2,0,0,0,0|1,1,0]=4 10587 B18R2.9994 CC[C@H](C)CSc1ccc2ccc(nc2c1)O 62a_100009816398_100000690401 [0,2,0,0,0,0|1,1,0]=4 10588 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)F 62a_100009816398_100010291885 [0,2,0,0,0,0|1,1,0]=4 10589 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)F 62a_100010291885_100009816398 [0,2,0,0,0,0|1,1,0]=4 10590 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)N 62a_100009816398_100009817123 [0,2,0,0,0,0|1,1,0]=4 10591 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)N 62a_100009817123_100009816398 [0,2,0,0,0,0|1,1,0]=4 10592 B18R2.9994 CC[C@H](C)CSc1ccc2cnc(cc2c1)O 62a_100009816398_100009817130 [0,2,0,0,0,0|1,1,0]=4 10593 B18R2.9994 CC[C@H](C)CSc1ccc2ncc(cc2c1)C 62a_100009816398_100009817055 [0,2,0,0,0,0|1,1,0]=4 10594 B18R2.9994 CC[C@H](C)CSc1ccc2ncc(cc2c1)O 62a_100009816398_100000703654 [0,2,0,0,0,0|1,1,0]=4 10595 B18R2.9994 CC[C@H](C)CSc1cnc2ccc(cc2c1)C 62a_100009816398_100015841224 [0,2,0,0,0,0|1,1,0]=4 10596 B18R2.9994 CC[C@H](C)CSc1cnc2ccc(cc2c1)N 62a_100009816398_100009888932 [0,2,0,0,0,0|1,1,0]=4 10597 B18R2.9994 CC[C@H](C)CSc1cnc2ccc(cc2c1)N 62a_100009888932_100009816398 [0,2,0,0,0,0|1,1,0]=4 10598 B18R2.9994 CC[C@H](C)CSc1cnc2ccc(cc2c1)O 62a_100009816398_100010137430 [0,2,0,0,0,0|1,1,0]=4 10599 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000183359 [0,2,0,0,0,0|1,0,1]=4 10600 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000183359 [0,2,0,0,0,0|1,0,1]=4 10601 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)C 34a_100000091598_100000183359 [0,2,0,0,0,0|1,0,1]=4 10602 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000183359 [0,2,0,0,0,0|1,0,1]=4 10603 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000183359 [0,2,0,0,0,0|1,0,1]=4 10604 B18R2.9994 CNC(=O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000183359 [0,2,0,0,0,0|1,0,1]=4 10605 B18R2.9994 CNC(C)COc1ccc2ccc(=O)oc2c1 270004a_106832991635_200000000116 [0,2,0,0,0,0|2,0,0]=4 10606 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000747449 [0,2,0,0,0,0|1,0,1]=4 10607 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000747449 [0,2,0,0,0,0|1,0,1]=4 10608 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)C 34a_100000091598_100000747449 [0,2,0,0,0,0|1,0,1]=4 10609 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)C 7a_100000091598_100000747449 [0,2,0,0,0,0|1,0,1]=4 10610 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000747449 [0,2,0,0,0,0|1,0,1]=4 10611 B18R2.9994 COC(=O)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000747449 [0,2,0,0,0,0|1,0,1]=4 10612 B18R2.9994 C[C@@H](CO)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000059175 [0,2,0,0,0,0|2,0,0]=4 10613 B18R2.9994 C[C@@H](CO)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000059175 [0,2,0,0,0,0|2,0,0]=4 10614 B18R2.9994 C[C@@H](CO)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100000059175 [0,2,0,0,0,0|2,0,0]=4 10615 B18R2.9994 C[C@@H](CO)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100000059175 [0,2,0,0,0,0|2,0,0]=4 10616 B18R2.9994 C[C@@H](CO)COc1cc2cc(ccc2cn1)F 34a_200000101709_100000059175 [0,2,0,0,0,0|2,0,0]=4 10617 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(=O)oc2c1 34a_100000185914_100000059175 [0,2,0,0,0,0|2,0,0]=4 10618 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(=O)oc2c1 7a_100000185914_100000059175 [0,2,0,0,0,0|2,0,0]=4 10619 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100000059175 [0,2,0,0,0,0|1,0,0]=3 10620 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100000059175 [0,2,0,0,0,0|1,0,0]=3 10621 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(cc2c1)N 34a_100015378740_100000059175 [0,2,0,0,0,0|1,0,0]=3 10622 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(cc2c1)N 7a_100015378740_100000059175 [0,2,0,0,0,0|1,0,0]=3 10623 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000059175 [0,2,0,0,0,0|2,0,0]=4 10624 B18R2.9994 C[C@@H](CO)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000059175 [0,2,0,0,0,0|2,0,0]=4 10625 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100000059175 [0,2,0,0,0,0|2,0,0]=4 10626 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100000059175 [0,2,0,0,0,0|2,0,0]=4 10627 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000059175 [0,2,0,0,0,0|2,0,0]=4 10628 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000059175 [0,2,0,0,0,0|2,0,0]=4 10629 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)F 34a_100009845357_100000059175 [0,2,0,0,0,0|2,0,0]=4 10630 B18R2.9994 C[C@@H](CO)COc1ccc2ncc(cc2c1)F 7a_100009845357_100000059175 [0,2,0,0,0,0|2,0,0]=4 10631 B18R2.9994 C[C@@H](CO)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100000059175 [0,2,0,0,0,0|2,0,0]=4 10632 B18R2.9994 C[C@@H](CO)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100000059175 [0,2,0,0,0,0|2,0,0]=4 10633 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(cc2c1)N 62a_100000059175_100010090036 [0,2,0,0,0,0|1,1,0]=4 10634 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(cc2c1)N 62a_100010090036_100000059175 [0,2,0,0,0,0|1,1,0]=4 10635 B18R2.9994 C[C@@H](CO)CSc1ccc2ccc(cc2c1)O 62a_100000059175_100009816537 [0,2,0,0,0,0|1,1,0]=4 10636 B18R2.9994 Cc1ccc2ccc(cc2c1)OCC(O)CO 34a_100000091598_100011219619 [0,2,0,0,0,0|1,0,0]=3 10637 B18R2.9994 Cc1ccc2ccc(cc2c1)OCC(O)CO 7a_100000091598_100011219619 [0,2,0,0,0,0|1,0,0]=3 10638 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](C)CO 34a_100000091598_100000059175 [0,2,0,0,0,0|1,0,0]=3 10639 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](C)CO 7a_100000091598_100000059175 [0,2,0,0,0,0|1,0,0]=3 10640 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](O)CF 34a_100000091598_100015614560 [0,2,0,0,0,0|1,0,0]=3 10641 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](O)CF 7a_100000091598_100015614560 [0,2,0,0,0,0|1,0,0]=3 10642 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](O)CO 34a_100000091598_100009815848 [0,2,0,0,0,0|1,0,0]=3 10643 B18R2.9994 Cc1ccc2ccc(cc2c1)OC[C@@H](O)CO 7a_100000091598_100009815848 [0,2,0,0,0,0|1,0,0]=3 10644 B18R2.9994 Cc1ccc2ccc(cc2n1)OCC(O)CO 34a_100009867695_100011219619 [0,2,0,0,0,0|2,0,0]=4 10645 B18R2.9994 Cc1ccc2ccc(cc2n1)OCC(O)CO 7a_100009867695_100011219619 [0,2,0,0,0,0|2,0,0]=4 10646 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](C)CO 34a_100009867695_100000059175 [0,2,0,0,0,0|2,0,0]=4 10647 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](C)CO 7a_100009867695_100000059175 [0,2,0,0,0,0|2,0,0]=4 10648 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](O)CF 34a_100009867695_100015614560 [0,2,0,0,0,0|2,0,0]=4 10649 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](O)CF 7a_100009867695_100015614560 [0,2,0,0,0,0|2,0,0]=4 10650 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](O)CO 34a_100009867695_100009815848 [0,2,0,0,0,0|2,0,0]=4 10651 B18R2.9994 Cc1ccc2ccc(cc2n1)OC[C@@H](O)CO 7a_100009867695_100009815848 [0,2,0,0,0,0|2,0,0]=4 10652 B18R2.9994 Nc1ccc2ccc(cc2c1)OCC(O)CO 34a_100015378740_100011219619 [0,2,0,0,0,0|1,0,0]=3 10653 B18R2.9994 Nc1ccc2ccc(cc2c1)OCC(O)CO 7a_100015378740_100011219619 [0,2,0,0,0,0|1,0,0]=3 10654 B18R2.9994 Nc1ccc2ccc(cc2c1)OC[C@@H](O)CF 34a_100015378740_100015614560 [0,2,0,0,0,0|1,0,0]=3 10655 B18R2.9994 Nc1ccc2ccc(cc2c1)OC[C@@H](O)CF 7a_100015378740_100015614560 [0,2,0,0,0,0|1,0,0]=3 10656 B18R2.9994 Nc1ccc2ccc(cc2c1)OC[C@@H](O)CO 34a_100015378740_100009815848 [0,2,0,0,0,0|1,0,0]=3 10657 B18R2.9994 Nc1ccc2ccc(cc2c1)OC[C@@H](O)CO 7a_100015378740_100009815848 [0,2,0,0,0,0|1,0,0]=3 10658 B18R2.9994 Nc1ccc2ccc(cc2c1)SCC(O)CO 62a_100010090036_100011219619 [0,2,0,0,0,0|1,1,0]=4 10659 B18R2.9994 Nc1ccc2ccc(cc2c1)SCC(O)CO 62a_100011219619_100010090036 [0,2,0,0,0,0|1,1,0]=4 10660 B18R2.9994 Nc1ccc2ccc(cc2c1)SC[C@@H](O)CF 62a_100010090036_100015614560 [0,2,0,0,0,0|1,1,0]=4 10661 B18R2.9994 Nc1ccc2ccc(cc2c1)SC[C@@H](O)CF 62a_100015614560_100010090036 [0,2,0,0,0,0|1,1,0]=4 10662 B18R2.9994 Nc1ccc2ccc(cc2c1)SC[C@@H](O)CO 62a_100009815848_100010090036 [0,2,0,0,0,0|1,1,0]=4 10663 B18R2.9994 Nc1ccc2ccc(cc2c1)SC[C@@H](O)CO 62a_100010090036_100009815848 [0,2,0,0,0,0|1,1,0]=4 10664 B18R2.9994 O=c1ccc2ccc(cc2o1)OCC(O)CO 34a_100000185914_100011219619 [0,2,0,0,0,0|2,0,0]=4 10665 B18R2.9994 O=c1ccc2ccc(cc2o1)OCC(O)CO 7a_100000185914_100011219619 [0,2,0,0,0,0|2,0,0]=4 10666 B18R2.9994 O=c1ccc2ccc(cc2o1)OC[C@@H](O)CF 34a_100000185914_100015614560 [0,2,0,0,0,0|2,0,0]=4 10667 B18R2.9994 O=c1ccc2ccc(cc2o1)OC[C@@H](O)CF 7a_100000185914_100015614560 [0,2,0,0,0,0|2,0,0]=4 10668 B18R2.9994 O=c1ccc2ccc(cc2o1)OC[C@@H](O)CO 34a_100000185914_100009815848 [0,2,0,0,0,0|2,0,0]=4 10669 B18R2.9994 O=c1ccc2ccc(cc2o1)OC[C@@H](O)CO 7a_100000185914_100009815848 [0,2,0,0,0,0|2,0,0]=4 10670 B18R2.9994 OCC(O)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011219619 [0,2,0,0,0,0|2,0,0]=4 10671 B18R2.9994 OCC(O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011219619 [0,2,0,0,0,0|2,0,0]=4 10672 B18R2.9994 OCC(O)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100011219619 [0,2,0,0,0,0|2,0,0]=4 10673 B18R2.9994 OCC(O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100011219619 [0,2,0,0,0,0|2,0,0]=4 10674 B18R2.9994 OCC(O)COc1cc2cc(ccc2cn1)F 34a_200000101709_100011219619 [0,2,0,0,0,0|2,0,0]=4 10675 B18R2.9994 OCC(O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100011219619 [0,2,0,0,0,0|1,0,0]=3 10676 B18R2.9994 OCC(O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100011219619 [0,2,0,0,0,0|1,0,0]=3 10677 B18R2.9994 OCC(O)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011219619 [0,2,0,0,0,0|2,0,0]=4 10678 B18R2.9994 OCC(O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011219619 [0,2,0,0,0,0|2,0,0]=4 10679 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100011219619 [0,2,0,0,0,0|2,0,0]=4 10680 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100011219619 [0,2,0,0,0,0|2,0,0]=4 10681 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011219619 [0,2,0,0,0,0|2,0,0]=4 10682 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011219619 [0,2,0,0,0,0|2,0,0]=4 10683 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)F 34a_100009845357_100011219619 [0,2,0,0,0,0|2,0,0]=4 10684 B18R2.9994 OCC(O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100011219619 [0,2,0,0,0,0|2,0,0]=4 10685 B18R2.9994 OCC(O)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100011219619 [0,2,0,0,0,0|2,0,0]=4 10686 B18R2.9994 OCC(O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100011219619 [0,2,0,0,0,0|2,0,0]=4 10687 B18R2.9994 OCC(O)CSc1ccc2ccc(cc2c1)O 62a_100011219619_100009816537 [0,2,0,0,0,0|1,1,0]=4 10688 B18R2.9994 OC[C@H](O)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100009815848 [0,2,0,0,0,0|2,0,0]=4 10689 B18R2.9994 OC[C@H](O)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100009815848 [0,2,0,0,0,0|2,0,0]=4 10690 B18R2.9994 OC[C@H](O)CNc1ccc2ccc(cc2c1)O 34a_100015378740_100009815848 [0,2,0,0,0,0|2,0,0]=4 10691 B18R2.9994 OC[C@H](O)CNc1ccc2ccc(cc2c1)O 7a_100015378740_100009815848 [0,2,0,0,0,0|2,0,0]=4 10692 B18R2.9994 OC[C@H](O)COc1cc2cc(ccc2cn1)F 34a_200000101709_100009815848 [0,2,0,0,0,0|2,0,0]=4 10693 B18R2.9994 OC[C@H](O)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100009815848 [0,2,0,0,0,0|1,0,0]=3 10694 B18R2.9994 OC[C@H](O)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100009815848 [0,2,0,0,0,0|1,0,0]=3 10695 B18R2.9994 OC[C@H](O)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100009815848 [0,2,0,0,0,0|2,0,0]=4 10696 B18R2.9994 OC[C@H](O)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100009815848 [0,2,0,0,0,0|2,0,0]=4 10697 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100009815848 [0,2,0,0,0,0|2,0,0]=4 10698 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100009815848 [0,2,0,0,0,0|2,0,0]=4 10699 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100009815848 [0,2,0,0,0,0|2,0,0]=4 10700 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100009815848 [0,2,0,0,0,0|2,0,0]=4 10701 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)F 34a_100009845357_100009815848 [0,2,0,0,0,0|2,0,0]=4 10702 B18R2.9994 OC[C@H](O)COc1ccc2ncc(cc2c1)F 7a_100009845357_100009815848 [0,2,0,0,0,0|2,0,0]=4 10703 B18R2.9994 OC[C@H](O)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100009815848 [0,2,0,0,0,0|2,0,0]=4 10704 B18R2.9994 OC[C@H](O)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100009815848 [0,2,0,0,0,0|2,0,0]=4 10705 B18R2.9994 OC[C@H](O)CSc1ccc2ccc(cc2c1)O 62a_100009815848_100009816537 [0,2,0,0,0,0|1,1,0]=4 10706 B18R2.9994 O[C@@H](CF)CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100015614560 [0,2,0,0,0,0|2,0,0]=4 10707 B18R2.9994 O[C@@H](CF)CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100015614560 [0,2,0,0,0,0|2,0,0]=4 10708 B18R2.9994 O[C@@H](CF)COc1cc2cc(ccc2cn1)F 34a_200000101709_100015614560 [0,2,0,0,0,0|2,0,0]=4 10709 B18R2.9994 O[C@@H](CF)COc1ccc2ccc(cc2c1)Br 34a_100009816537_100015614560 [0,2,0,0,0,0|1,0,0]=3 10710 B18R2.9994 O[C@@H](CF)COc1ccc2ccc(cc2c1)Br 7a_100009816537_100015614560 [0,2,0,0,0,0|1,0,0]=3 10711 B18R2.9994 O[C@@H](CF)COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100015614560 [0,2,0,0,0,0|2,0,0]=4 10712 B18R2.9994 O[C@@H](CF)COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100015614560 [0,2,0,0,0,0|2,0,0]=4 10713 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)Br 34a_100010137430_100015614560 [0,2,0,0,0,0|2,0,0]=4 10714 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)Br 7a_100010137430_100015614560 [0,2,0,0,0,0|2,0,0]=4 10715 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100015614560 [0,2,0,0,0,0|2,0,0]=4 10716 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100015614560 [0,2,0,0,0,0|2,0,0]=4 10717 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)F 34a_100009845357_100015614560 [0,2,0,0,0,0|2,0,0]=4 10718 B18R2.9994 O[C@@H](CF)COc1ccc2ncc(cc2c1)F 7a_100009845357_100015614560 [0,2,0,0,0,0|2,0,0]=4 10719 B18R2.9994 O[C@@H](CF)COc1cnc2ccc(cc2c1)Br 34a_100000703654_100015614560 [0,2,0,0,0,0|2,0,0]=4 10720 B18R2.9994 O[C@@H](CF)COc1cnc2ccc(cc2c1)Br 7a_100000703654_100015614560 [0,2,0,0,0,0|2,0,0]=4 10721 B18R2.9994 Oc1ccc2ccc(cc2c1)NC[C@@H](O)CF 34a_100015378740_100015614560 [0,2,0,0,0,0|2,0,0]=4 10722 B18R2.9994 Oc1ccc2ccc(cc2c1)NC[C@@H](O)CF 7a_100015378740_100015614560 [0,2,0,0,0,0|2,0,0]=4 10723 B18R2.9994 Oc1ccc2ccc(cc2c1)SC[C@@H](O)CF 62a_100015614560_100009816537 [0,2,0,0,0,0|1,1,0]=4 10724 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000730141 [0,2,0,0,0,0|0,0,2]=4 10725 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000730141 [0,2,0,0,0,0|0,0,2]=4 10726 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)C 34a_200000091600_100000730141 [0,2,0,0,0,0|0,0,2]=4 10727 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)C 7a_200000091600_100000730141 [0,2,0,0,0,0|0,0,2]=4 10728 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)F 34a_100000091619_100000730141 [0,2,0,0,0,0|0,0,2]=4 10729 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000730141 [0,2,0,0,0,0|0,0,2]=4 10730 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)N 34a_100000034012_100000730141 [0,2,0,0,0,0|0,0,2]=4 10731 B18R2.10001 C=CC(O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000730141 [0,2,0,0,0,0|0,0,2]=4 10732 B18R2.10001 CCC(=O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000747405 [0,2,0,0,0,0|0,0,1]=3 10733 B18R2.10001 CCC(=O)COc1ccc2cccc(c2c1)C 7a_200000091600_100000747405 [0,2,0,0,0,0|0,0,1]=3 10734 B18R2.10001 CCC(=O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000747405 [0,2,0,0,0,0|0,0,1]=3 10735 B18R2.10001 CCC(=O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000747405 [0,2,0,0,0,0|0,0,1]=3 10736 B18R2.10001 CCC(=O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000747405 [0,2,0,0,0,0|1,0,1]=4 10737 B18R2.10001 CCC(=O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000747405 [0,2,0,0,0,0|1,0,1]=4 10738 B18R2.10001 CCC(=O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000747405 [0,2,0,0,0,0|1,0,1]=4 10739 B18R2.10001 CCC(=O)CSc1ccc2cccc(c2c1)C 62a_100000747405_100010089936 [0,2,0,0,0,0|0,1,1]=4 10740 B18R2.10001 CCC(=O)CSc1ccc2cccc(c2c1)N 62a_100000747405_100010090012 [0,2,0,0,0,0|0,1,1]=4 10741 B18R2.10001 CCC(=O)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000747405 [0,2,0,0,0,0|0,1,1]=4 10742 B18R2.10001 CCC(=O)CSc1ccc2cccc(c2c1)O 62a_100000747405_100010089991 [0,2,0,0,0,0|0,1,1]=4 10743 B18R2.10001 CCC(C)CNc1ccc2cccc(c2c1)O 34a_100132313934_100000748023 [0,2,0,0,0,0|1,0,0]=3 10744 B18R2.10001 CCC(C)CNc1ccc2cccc(c2n1)C 27a_100020588543_100012002297 [0,2,0,0,0,0|2,0,0]=4 10745 B18R2.10001 CCC(C)CNc1ccc2cccc(c2n1)O 27a_100020588543_100010153751 [0,2,0,0,0,0|2,0,0]=4 10746 B18R2.10001 CCC(C)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100000748023 [0,2,0,0,0,0|2,0,0]=4 10747 B18R2.10001 CCC(C)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000748023 [0,2,0,0,0,0|2,0,0]=4 10748 B18R2.10001 CCC(C)CNc1ccc2occc(=O)c2c1 34a_100000088200_100000748023 [0,2,0,0,0,0|2,0,0]=4 10749 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)C 34a_200000091600_100000748023 [0,2,0,0,0,0|0,0,0]=2 10750 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)C 7a_200000091600_100000748023 [0,2,0,0,0,0|0,0,0]=2 10751 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)F 34a_100000091619_100000748023 [0,2,0,0,0,0|0,0,0]=2 10752 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)F 7a_100000091619_100000748023 [0,2,0,0,0,0|0,0,0]=2 10753 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)N 34a_100000034012_100000748023 [0,2,0,0,0,0|0,0,0]=2 10754 B18R2.10001 CCC(C)COc1ccc2cccc(c2c1)N 7a_100000034012_100000748023 [0,2,0,0,0,0|0,0,0]=2 10755 B18R2.10001 CCC(C)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000748023 [0,2,0,0,0,0|1,0,0]=3 10756 B18R2.10001 CCC(C)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000748023 [0,2,0,0,0,0|1,0,0]=3 10757 B18R2.10001 CCC(C)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000748023 [0,2,0,0,0,0|2,0,0]=4 10758 B18R2.10001 CCC(C)COc1ccc2nccc(c2c1)Br 34a_100010204251_100000748023 [0,2,0,0,0,0|1,0,0]=3 10759 B18R2.10001 CCC(C)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000748023 [0,2,0,0,0,0|1,0,0]=3 10760 B18R2.10001 CCC(C)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100000748023 [0,2,0,0,0,0|1,0,0]=3 10761 B18R2.10001 CCC(C)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000748023 [0,2,0,0,0,0|1,0,0]=3 10762 B18R2.10001 CCC(C)CSc1ccc2[nH]ccc(=O)c2c1 62a_100000748023_100000746092 [0,2,0,0,0,0|1,1,0]=4 10763 B18R2.10001 CCC(C)CSc1ccc2cccc(c2c1)N 62a_100000748023_100010090012 [0,2,0,0,0,0|0,1,0]=3 10764 B18R2.10001 CCC(C)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000748023 [0,2,0,0,0,0|0,1,0]=3 10765 B18R2.10001 CCC(C)CSc1ccc2cccc(c2c1)O 62a_100000748023_100010089991 [0,2,0,0,0,0|0,1,0]=3 10766 B18R2.10001 CCC(C)CSc1ccc2cccc(c2n1)C 62a_100000748023_100012002297 [0,2,0,0,0,0|1,1,0]=4 10767 B18R2.10001 CCC(C)CSc1ccc2cccc(c2n1)F 62a_100000748023_100012017632 [0,2,0,0,0,0|1,1,0]=4 10768 B18R2.10001 CCC(C)CSc1ccc2cccc(c2n1)O 62a_100000748023_100000013812 [0,2,0,0,0,0|1,1,0]=4 10769 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)C 62a_100000748023_200010739692 [0,2,0,0,0,0|1,1,0]=4 10770 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)C 62a_200010739692_100000748023 [0,2,0,0,0,0|1,1,0]=4 10771 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)N 62a_100000748023_100012352255 [0,2,0,0,0,0|1,1,0]=4 10772 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100000748023 [0,2,0,0,0,0|1,1,0]=4 10773 B18R2.10001 CCC(C)CSc1ccc2ccnc(c2c1)O 62a_100000748023_100000010956 [0,2,0,0,0,0|1,1,0]=4 10774 B18R2.10001 CCC(C)CSc1ccc2cncc(c2c1)O 62a_100000748023_100010136424 [0,2,0,0,0,0|1,1,0]=4 10775 B18R2.10001 CCC(C)CSc1ccc2nccc(c2c1)C 62a_100000748023_100009817033 [0,2,0,0,0,0|1,1,0]=4 10776 B18R2.10001 CCC(C)CSc1ccc2nccc(c2c1)C 62a_100009817033_100000748023 [0,2,0,0,0,0|1,1,0]=4 10777 B18R2.10001 CCC(C)CSc1ccc2nccc(c2c1)N 62a_100000748023_100011620571 [0,2,0,0,0,0|1,1,0]=4 10778 B18R2.10001 CCC(C)CSc1ccc2nccc(c2c1)N 62a_100011620571_100000748023 [0,2,0,0,0,0|1,1,0]=4 10779 B18R2.10001 CCC(C)CSc1ccc2occc(=O)c2c1 62a_100000748023_100009813387 [0,2,0,0,0,0|1,1,0]=4 10780 B18R2.10001 CCC(C)CSc1cnc2cccc(c2c1)N 62a_100000748023_100010264086 [0,2,0,0,0,0|1,1,0]=4 10781 B18R2.10001 CCC(C)CSc1cnc2cccc(c2c1)N 62a_100010264086_100000748023 [0,2,0,0,0,0|1,1,0]=4 10782 B18R2.10001 CCC(C)CSc1cnc2cccc(c2c1)O 62a_100000748023_200010153752 [0,2,0,0,0,0|1,1,0]=4 10783 B18R2.10001 CCC(O)CNc1ccc2cccc(c2c1)O 34a_100132313934_100011218378 [0,2,0,0,0,0|1,0,0]=3 10784 B18R2.10001 CCC(O)CNc1ccc2cccc(c2n1)C 27a_100011218483_100012002297 [0,2,0,0,0,0|2,0,0]=4 10785 B18R2.10001 CCC(O)CNc1ccc2cccc(c2n1)O 27a_100011218483_100010153751 [0,2,0,0,0,0|2,0,0]=4 10786 B18R2.10001 CCC(O)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100011218378 [0,2,0,0,0,0|2,0,0]=4 10787 B18R2.10001 CCC(O)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100011218378 [0,2,0,0,0,0|2,0,0]=4 10788 B18R2.10001 CCC(O)CNc1ccc2occc(=O)c2c1 34a_100000088200_100011218378 [0,2,0,0,0,0|2,0,0]=4 10789 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100011218378 [0,2,0,0,0,0|0,0,0]=2 10790 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100011218378 [0,2,0,0,0,0|0,0,0]=2 10791 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)C 34a_200000091600_100011218378 [0,2,0,0,0,0|0,0,0]=2 10792 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)C 7a_200000091600_100011218378 [0,2,0,0,0,0|0,0,0]=2 10793 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)F 34a_100000091619_100011218378 [0,2,0,0,0,0|0,0,0]=2 10794 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)F 7a_100000091619_100011218378 [0,2,0,0,0,0|0,0,0]=2 10795 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)N 34a_100000034012_100011218378 [0,2,0,0,0,0|0,0,0]=2 10796 B18R2.10001 CCC(O)COc1ccc2cccc(c2c1)N 7a_100000034012_100011218378 [0,2,0,0,0,0|0,0,0]=2 10797 B18R2.10001 CCC(O)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011218378 [0,2,0,0,0,0|1,0,0]=3 10798 B18R2.10001 CCC(O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011218378 [0,2,0,0,0,0|1,0,0]=3 10799 B18R2.10001 CCC(O)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100011218378 [0,2,0,0,0,0|2,0,0]=4 10800 B18R2.10001 CCC(O)COc1ccc2nccc(c2c1)Br 34a_100010204251_100011218378 [0,2,0,0,0,0|1,0,0]=3 10801 B18R2.10001 CCC(O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100011218378 [0,2,0,0,0,0|1,0,0]=3 10802 B18R2.10001 CCC(O)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100011218378 [0,2,0,0,0,0|1,0,0]=3 10803 B18R2.10001 CCC(O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100011218378 [0,2,0,0,0,0|1,0,0]=3 10804 B18R2.10001 CCC(O)CSc1ccc2[nH]ccc(=O)c2c1 62a_100011218378_100000746092 [0,2,0,0,0,0|1,1,0]=4 10805 B18R2.10001 CCC(O)CSc1ccc2cccc(c2c1)C 62a_100011218378_100010089936 [0,2,0,0,0,0|0,1,0]=3 10806 B18R2.10001 CCC(O)CSc1ccc2cccc(c2c1)N 62a_100010090012_100011218378 [0,2,0,0,0,0|0,1,0]=3 10807 B18R2.10001 CCC(O)CSc1ccc2cccc(c2c1)N 62a_100011218378_100010090012 [0,2,0,0,0,0|0,1,0]=3 10808 B18R2.10001 CCC(O)CSc1ccc2cccc(c2c1)O 62a_100011218378_100010089991 [0,2,0,0,0,0|0,1,0]=3 10809 B18R2.10001 CCC(O)CSc1ccc2cccc(c2n1)C 62a_100011218378_100012002297 [0,2,0,0,0,0|1,1,0]=4 10810 B18R2.10001 CCC(O)CSc1ccc2cccc(c2n1)F 62a_100011218378_100012017632 [0,2,0,0,0,0|1,1,0]=4 10811 B18R2.10001 CCC(O)CSc1ccc2cccc(c2n1)O 62a_100011218378_100000013812 [0,2,0,0,0,0|1,1,0]=4 10812 B18R2.10001 CCC(O)CSc1ccc2ccnc(c2c1)C 62a_100011218378_200010739692 [0,2,0,0,0,0|1,1,0]=4 10813 B18R2.10001 CCC(O)CSc1ccc2ccnc(c2c1)C 62a_200010739692_100011218378 [0,2,0,0,0,0|1,1,0]=4 10814 B18R2.10001 CCC(O)CSc1ccc2ccnc(c2c1)N 62a_100011218378_100012352255 [0,2,0,0,0,0|1,1,0]=4 10815 B18R2.10001 CCC(O)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100011218378 [0,2,0,0,0,0|1,1,0]=4 10816 B18R2.10001 CCC(O)CSc1ccc2ccnc(c2c1)O 62a_100011218378_100000010956 [0,2,0,0,0,0|1,1,0]=4 10817 B18R2.10001 CCC(O)CSc1ccc2cncc(c2c1)O 62a_100011218378_100010136424 [0,2,0,0,0,0|1,1,0]=4 10818 B18R2.10001 CCC(O)CSc1ccc2nccc(c2c1)C 62a_100009817033_100011218378 [0,2,0,0,0,0|1,1,0]=4 10819 B18R2.10001 CCC(O)CSc1ccc2nccc(c2c1)C 62a_100011218378_100009817033 [0,2,0,0,0,0|1,1,0]=4 10820 B18R2.10001 CCC(O)CSc1ccc2nccc(c2c1)Cl 62a_100011218378_100011310491 [0,2,0,0,0,0|1,1,0]=4 10821 B18R2.10001 CCC(O)CSc1ccc2nccc(c2c1)Cl 62a_100011310491_100011218378 [0,2,0,0,0,0|1,1,0]=4 10822 B18R2.10001 CCC(O)CSc1ccc2nccc(c2c1)N 62a_100011218378_100011620571 [0,2,0,0,0,0|1,1,0]=4 10823 B18R2.10001 CCC(O)CSc1ccc2nccc(c2c1)N 62a_100011620571_100011218378 [0,2,0,0,0,0|1,1,0]=4 10824 B18R2.10001 CCC(O)CSc1ccc2occc(=O)c2c1 62a_100011218378_100009813387 [0,2,0,0,0,0|1,1,0]=4 10825 B18R2.10001 CCC(O)CSc1cnc2cccc(c2c1)N 62a_100010264086_100011218378 [0,2,0,0,0,0|1,1,0]=4 10826 B18R2.10001 CCC(O)CSc1cnc2cccc(c2c1)N 62a_100011218378_100010264086 [0,2,0,0,0,0|1,1,0]=4 10827 B18R2.10001 CCC(O)CSc1cnc2cccc(c2c1)O 62a_100011218378_200010153752 [0,2,0,0,0,0|1,1,0]=4 10828 B18R2.10001 CC[C@H](C)CNc1ccc2cccc(c2c1)O 34a_100132313934_100009816398 [0,2,0,0,0,0|1,0,0]=3 10829 B18R2.10001 CC[C@H](C)CNc1ccc2nccc(c2c1)Br 34a_100010074812_100009816398 [0,2,0,0,0,0|2,0,0]=4 10830 B18R2.10001 CC[C@H](C)CNc1ccc2nccc(c2c1)Cl 34a_100009879071_100009816398 [0,2,0,0,0,0|2,0,0]=4 10831 B18R2.10001 CC[C@H](C)CNc1ccc2occc(=O)c2c1 34a_100000088200_100009816398 [0,2,0,0,0,0|2,0,0]=4 10832 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)C 34a_200000091600_100009816398 [0,2,0,0,0,0|0,0,0]=2 10833 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)C 7a_200000091600_100009816398 [0,2,0,0,0,0|0,0,0]=2 10834 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)F 34a_100000091619_100009816398 [0,2,0,0,0,0|0,0,0]=2 10835 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)F 7a_100000091619_100009816398 [0,2,0,0,0,0|0,0,0]=2 10836 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)N 34a_100000034012_100009816398 [0,2,0,0,0,0|0,0,0]=2 10837 B18R2.10001 CC[C@H](C)COc1ccc2cccc(c2c1)N 7a_100000034012_100009816398 [0,2,0,0,0,0|0,0,0]=2 10838 B18R2.10001 CC[C@H](C)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100009816398 [0,2,0,0,0,0|1,0,0]=3 10839 B18R2.10001 CC[C@H](C)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100009816398 [0,2,0,0,0,0|1,0,0]=3 10840 B18R2.10001 CC[C@H](C)COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100009816398 [0,2,0,0,0,0|2,0,0]=4 10841 B18R2.10001 CC[C@H](C)COc1ccc2nccc(c2c1)Br 34a_100010204251_100009816398 [0,2,0,0,0,0|1,0,0]=3 10842 B18R2.10001 CC[C@H](C)COc1ccc2nccc(c2c1)Br 7a_100010204251_100009816398 [0,2,0,0,0,0|1,0,0]=3 10843 B18R2.10001 CC[C@H](C)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100009816398 [0,2,0,0,0,0|1,0,0]=3 10844 B18R2.10001 CC[C@H](C)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100009816398 [0,2,0,0,0,0|1,0,0]=3 10845 B18R2.10001 CC[C@H](C)CSc1ccc2[nH]ccc(=O)c2c1 62a_100009816398_100000746092 [0,2,0,0,0,0|1,1,0]=4 10846 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2c1)N 62a_100009816398_100010090012 [0,2,0,0,0,0|0,1,0]=3 10847 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2c1)N 62a_100010090012_100009816398 [0,2,0,0,0,0|0,1,0]=3 10848 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2c1)O 62a_100009816398_100010089991 [0,2,0,0,0,0|0,1,0]=3 10849 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2n1)C 62a_100009816398_100012002297 [0,2,0,0,0,0|1,1,0]=4 10850 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2n1)F 62a_100009816398_100012017632 [0,2,0,0,0,0|1,1,0]=4 10851 B18R2.10001 CC[C@H](C)CSc1ccc2cccc(c2n1)O 62a_100009816398_100000013812 [0,2,0,0,0,0|1,1,0]=4 10852 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)C 62a_100009816398_200010739692 [0,2,0,0,0,0|1,1,0]=4 10853 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)C 62a_200010739692_100009816398 [0,2,0,0,0,0|1,1,0]=4 10854 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)N 62a_100009816398_100012352255 [0,2,0,0,0,0|1,1,0]=4 10855 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)N 62a_100012352255_100009816398 [0,2,0,0,0,0|1,1,0]=4 10856 B18R2.10001 CC[C@H](C)CSc1ccc2ccnc(c2c1)O 62a_100009816398_100000010956 [0,2,0,0,0,0|1,1,0]=4 10857 B18R2.10001 CC[C@H](C)CSc1ccc2cncc(c2c1)O 62a_100009816398_100010136424 [0,2,0,0,0,0|1,1,0]=4 10858 B18R2.10001 CC[C@H](C)CSc1ccc2nccc(c2c1)C 62a_100009816398_100009817033 [0,2,0,0,0,0|1,1,0]=4 10859 B18R2.10001 CC[C@H](C)CSc1ccc2nccc(c2c1)C 62a_100009817033_100009816398 [0,2,0,0,0,0|1,1,0]=4 10860 B18R2.10001 CC[C@H](C)CSc1ccc2nccc(c2c1)N 62a_100009816398_100011620571 [0,2,0,0,0,0|1,1,0]=4 10861 B18R2.10001 CC[C@H](C)CSc1ccc2nccc(c2c1)N 62a_100011620571_100009816398 [0,2,0,0,0,0|1,1,0]=4 10862 B18R2.10001 CC[C@H](C)CSc1ccc2occc(=O)c2c1 62a_100009816398_100009813387 [0,2,0,0,0,0|1,1,0]=4 10863 B18R2.10001 CC[C@H](C)CSc1cnc2cccc(c2c1)N 62a_100009816398_100010264086 [0,2,0,0,0,0|1,1,0]=4 10864 B18R2.10001 CC[C@H](C)CSc1cnc2cccc(c2c1)N 62a_100010264086_100009816398 [0,2,0,0,0,0|1,1,0]=4 10865 B18R2.10001 CC[C@H](C)CSc1cnc2cccc(c2c1)O 62a_100009816398_200010153752 [0,2,0,0,0,0|1,1,0]=4 10866 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000183359 [0,2,0,0,0,0|1,0,1]=4 10867 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000183359 [0,2,0,0,0,0|1,0,1]=4 10868 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)C 34a_200000091600_100000183359 [0,2,0,0,0,0|1,0,1]=4 10869 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)C 7a_200000091600_100000183359 [0,2,0,0,0,0|1,0,1]=4 10870 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)F 34a_100000091619_100000183359 [0,2,0,0,0,0|1,0,1]=4 10871 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000183359 [0,2,0,0,0,0|1,0,1]=4 10872 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)N 34a_100000034012_100000183359 [0,2,0,0,0,0|1,0,1]=4 10873 B18R2.10001 CNC(=O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000183359 [0,2,0,0,0,0|1,0,1]=4 10874 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000747449 [0,2,0,0,0,0|1,0,1]=4 10875 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000747449 [0,2,0,0,0,0|1,0,1]=4 10876 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)C 34a_200000091600_100000747449 [0,2,0,0,0,0|1,0,1]=4 10877 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)C 7a_200000091600_100000747449 [0,2,0,0,0,0|1,0,1]=4 10878 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)F 34a_100000091619_100000747449 [0,2,0,0,0,0|1,0,1]=4 10879 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)F 7a_100000091619_100000747449 [0,2,0,0,0,0|1,0,1]=4 10880 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)N 34a_100000034012_100000747449 [0,2,0,0,0,0|1,0,1]=4 10881 B18R2.10001 COC(=O)COc1ccc2cccc(c2c1)N 7a_100000034012_100000747449 [0,2,0,0,0,0|1,0,1]=4 10882 B18R2.10001 C[C@@H](CO)CNc1ccc2cccc(c2c1)O 34a_100132313934_100000059175 [0,2,0,0,0,0|2,0,0]=4 10883 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)Br 34a_100010169565_100000059175 [0,2,0,0,0,0|1,0,0]=3 10884 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)Br 7a_100010169565_100000059175 [0,2,0,0,0,0|1,0,0]=3 10885 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)F 34a_100000091619_100000059175 [0,2,0,0,0,0|1,0,0]=3 10886 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)F 7a_100000091619_100000059175 [0,2,0,0,0,0|1,0,0]=3 10887 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)N 34a_100000034012_100000059175 [0,2,0,0,0,0|1,0,0]=3 10888 B18R2.10001 C[C@@H](CO)COc1ccc2cccc(c2c1)N 7a_100000034012_100000059175 [0,2,0,0,0,0|1,0,0]=3 10889 B18R2.10001 C[C@@H](CO)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000059175 [0,2,0,0,0,0|2,0,0]=4 10890 B18R2.10001 C[C@@H](CO)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000059175 [0,2,0,0,0,0|2,0,0]=4 10891 B18R2.10001 C[C@@H](CO)COc1ccc2nccc(c2c1)Br 34a_100010204251_100000059175 [0,2,0,0,0,0|2,0,0]=4 10892 B18R2.10001 C[C@@H](CO)COc1ccc2nccc(c2c1)Br 7a_100010204251_100000059175 [0,2,0,0,0,0|2,0,0]=4 10893 B18R2.10001 C[C@@H](CO)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100000059175 [0,2,0,0,0,0|2,0,0]=4 10894 B18R2.10001 C[C@@H](CO)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100000059175 [0,2,0,0,0,0|2,0,0]=4 10895 B18R2.10001 C[C@@H](CO)CSc1ccc2cccc(c2c1)N 62a_100000059175_100010090012 [0,2,0,0,0,0|1,1,0]=4 10896 B18R2.10001 C[C@@H](CO)CSc1ccc2cccc(c2c1)N 62a_100010090012_100000059175 [0,2,0,0,0,0|1,1,0]=4 10897 B18R2.10001 C[C@@H](CO)CSc1ccc2cccc(c2c1)O 62a_100000059175_100010089991 [0,2,0,0,0,0|1,1,0]=4 10898 B18R2.10001 Cc1cccc2c1cc(cc2)OCC(O)CO 34a_200000091600_100011219619 [0,2,0,0,0,0|1,0,0]=3 10899 B18R2.10001 Cc1cccc2c1cc(cc2)OCC(O)CO 7a_200000091600_100011219619 [0,2,0,0,0,0|1,0,0]=3 10900 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](C)CO 34a_200000091600_100000059175 [0,2,0,0,0,0|1,0,0]=3 10901 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](C)CO 7a_200000091600_100000059175 [0,2,0,0,0,0|1,0,0]=3 10902 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CF 34a_200000091600_100015614560 [0,2,0,0,0,0|1,0,0]=3 10903 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CF 7a_200000091600_100015614560 [0,2,0,0,0,0|1,0,0]=3 10904 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CO 34a_200000091600_100009815848 [0,2,0,0,0,0|1,0,0]=3 10905 B18R2.10001 Cc1cccc2c1cc(cc2)OC[C@@H](O)CO 7a_200000091600_100009815848 [0,2,0,0,0,0|1,0,0]=3 10906 B18R2.10001 Cc1cccc2c1cc(cc2)SCC(O)CO 62a_100011219619_100010089936 [0,2,0,0,0,0|1,1,0]=4 10907 B18R2.10001 Cc1cccc2c1cc(cc2)SC[C@@H](C)CO 62a_100000059175_100010089936 [0,2,0,0,0,0|1,1,0]=4 10908 B18R2.10001 Cc1cccc2c1cc(cc2)SC[C@@H](O)CF 62a_100015614560_100010089936 [0,2,0,0,0,0|1,1,0]=4 10909 B18R2.10001 Cc1cccc2c1cc(cc2)SC[C@@H](O)CO 62a_100009815848_100010089936 [0,2,0,0,0,0|1,1,0]=4 10910 B18R2.10001 Nc1cccc2c1cc(cc2)OCC(O)CO 34a_100000034012_100011219619 [0,2,0,0,0,0|1,0,0]=3 10911 B18R2.10001 Nc1cccc2c1cc(cc2)OCC(O)CO 7a_100000034012_100011219619 [0,2,0,0,0,0|1,0,0]=3 10912 B18R2.10001 Nc1cccc2c1cc(cc2)OC[C@@H](O)CF 34a_100000034012_100015614560 [0,2,0,0,0,0|1,0,0]=3 10913 B18R2.10001 Nc1cccc2c1cc(cc2)OC[C@@H](O)CF 7a_100000034012_100015614560 [0,2,0,0,0,0|1,0,0]=3 10914 B18R2.10001 Nc1cccc2c1cc(cc2)OC[C@@H](O)CO 34a_100000034012_100009815848 [0,2,0,0,0,0|1,0,0]=3 10915 B18R2.10001 Nc1cccc2c1cc(cc2)OC[C@@H](O)CO 7a_100000034012_100009815848 [0,2,0,0,0,0|1,0,0]=3 10916 B18R2.10001 Nc1cccc2c1cc(cc2)SCC(O)CO 62a_100010090012_100011219619 [0,2,0,0,0,0|1,1,0]=4 10917 B18R2.10001 Nc1cccc2c1cc(cc2)SCC(O)CO 62a_100011219619_100010090012 [0,2,0,0,0,0|1,1,0]=4 10918 B18R2.10001 Nc1cccc2c1cc(cc2)SC[C@@H](O)CF 62a_100010090012_100015614560 [0,2,0,0,0,0|1,1,0]=4 10919 B18R2.10001 Nc1cccc2c1cc(cc2)SC[C@@H](O)CF 62a_100015614560_100010090012 [0,2,0,0,0,0|1,1,0]=4 10920 B18R2.10001 Nc1cccc2c1cc(cc2)SC[C@@H](O)CO 62a_100009815848_100010090012 [0,2,0,0,0,0|1,1,0]=4 10921 B18R2.10001 Nc1cccc2c1cc(cc2)SC[C@@H](O)CO 62a_100010090012_100009815848 [0,2,0,0,0,0|1,1,0]=4 10922 B18R2.10001 OCC(O)CNc1ccc2cccc(c2c1)O 34a_100132313934_100011219619 [0,2,0,0,0,0|2,0,0]=4 10923 B18R2.10001 OCC(O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100011219619 [0,2,0,0,0,0|1,0,0]=3 10924 B18R2.10001 OCC(O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100011219619 [0,2,0,0,0,0|1,0,0]=3 10925 B18R2.10001 OCC(O)COc1ccc2cccc(c2c1)F 34a_100000091619_100011219619 [0,2,0,0,0,0|1,0,0]=3 10926 B18R2.10001 OCC(O)COc1ccc2cccc(c2c1)F 7a_100000091619_100011219619 [0,2,0,0,0,0|1,0,0]=3 10927 B18R2.10001 OCC(O)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011219619 [0,2,0,0,0,0|2,0,0]=4 10928 B18R2.10001 OCC(O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011219619 [0,2,0,0,0,0|2,0,0]=4 10929 B18R2.10001 OCC(O)COc1ccc2nccc(c2c1)Br 34a_100010204251_100011219619 [0,2,0,0,0,0|2,0,0]=4 10930 B18R2.10001 OCC(O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100011219619 [0,2,0,0,0,0|2,0,0]=4 10931 B18R2.10001 OCC(O)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100011219619 [0,2,0,0,0,0|2,0,0]=4 10932 B18R2.10001 OCC(O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100011219619 [0,2,0,0,0,0|2,0,0]=4 10933 B18R2.10001 OCC(O)CSc1ccc2cccc(c2c1)O 62a_100011219619_100010089991 [0,2,0,0,0,0|1,1,0]=4 10934 B18R2.10001 OC[C@H](O)CNc1ccc2cccc(c2c1)O 34a_100132313934_100009815848 [0,2,0,0,0,0|2,0,0]=4 10935 B18R2.10001 OC[C@H](O)COc1ccc2cccc(c2c1)Br 34a_100010169565_100009815848 [0,2,0,0,0,0|1,0,0]=3 10936 B18R2.10001 OC[C@H](O)COc1ccc2cccc(c2c1)Br 7a_100010169565_100009815848 [0,2,0,0,0,0|1,0,0]=3 10937 B18R2.10001 OC[C@H](O)COc1ccc2cccc(c2c1)F 34a_100000091619_100009815848 [0,2,0,0,0,0|1,0,0]=3 10938 B18R2.10001 OC[C@H](O)COc1ccc2cccc(c2c1)F 7a_100000091619_100009815848 [0,2,0,0,0,0|1,0,0]=3 10939 B18R2.10001 OC[C@H](O)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100009815848 [0,2,0,0,0,0|2,0,0]=4 10940 B18R2.10001 OC[C@H](O)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100009815848 [0,2,0,0,0,0|2,0,0]=4 10941 B18R2.10001 OC[C@H](O)COc1ccc2nccc(c2c1)Br 34a_100010204251_100009815848 [0,2,0,0,0,0|2,0,0]=4 10942 B18R2.10001 OC[C@H](O)COc1ccc2nccc(c2c1)Br 7a_100010204251_100009815848 [0,2,0,0,0,0|2,0,0]=4 10943 B18R2.10001 OC[C@H](O)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100009815848 [0,2,0,0,0,0|2,0,0]=4 10944 B18R2.10001 OC[C@H](O)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100009815848 [0,2,0,0,0,0|2,0,0]=4 10945 B18R2.10001 OC[C@H](O)CSc1ccc2cccc(c2c1)O 62a_100009815848_100010089991 [0,2,0,0,0,0|1,1,0]=4 10946 B18R2.10001 O[C@@H](CF)COc1ccc2cccc(c2c1)Br 34a_100010169565_100015614560 [0,2,0,0,0,0|1,0,0]=3 10947 B18R2.10001 O[C@@H](CF)COc1ccc2cccc(c2c1)Br 7a_100010169565_100015614560 [0,2,0,0,0,0|1,0,0]=3 10948 B18R2.10001 O[C@@H](CF)COc1ccc2cccc(c2c1)F 34a_100000091619_100015614560 [0,2,0,0,0,0|1,0,0]=3 10949 B18R2.10001 O[C@@H](CF)COc1ccc2cccc(c2c1)F 7a_100000091619_100015614560 [0,2,0,0,0,0|1,0,0]=3 10950 B18R2.10001 O[C@@H](CF)COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100015614560 [0,2,0,0,0,0|2,0,0]=4 10951 B18R2.10001 O[C@@H](CF)COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100015614560 [0,2,0,0,0,0|2,0,0]=4 10952 B18R2.10001 O[C@@H](CF)COc1ccc2nccc(c2c1)Br 34a_100010204251_100015614560 [0,2,0,0,0,0|2,0,0]=4 10953 B18R2.10001 O[C@@H](CF)COc1ccc2nccc(c2c1)Br 7a_100010204251_100015614560 [0,2,0,0,0,0|2,0,0]=4 10954 B18R2.10001 O[C@@H](CF)COc1ccc2nccc(c2c1)Cl 34a_100000075933_100015614560 [0,2,0,0,0,0|2,0,0]=4 10955 B18R2.10001 O[C@@H](CF)COc1ccc2nccc(c2c1)Cl 7a_100000075933_100015614560 [0,2,0,0,0,0|2,0,0]=4 10956 B18R2.10001 Oc1cccc2c1cc(cc2)NC[C@@H](O)CF 34a_100132313934_100015614560 [0,2,0,0,0,0|2,0,0]=4 10957 B18R2.10001 Oc1cccc2c1cc(cc2)SC[C@@H](O)CF 62a_100015614560_100010089991 [0,2,0,0,0,0|1,1,0]=4 10958 B18R2.10151 C=CC(O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000730141 [0,2,0,0,0,0|0,0,2]=4 10959 B18R2.10151 C=CC(O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000730141 [0,2,0,0,0,0|0,0,2]=4 10960 B18R2.10151 CCC(=O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100000747405 [0,2,0,0,0,0|1,0,1]=4 10961 B18R2.10151 CCC(=O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000747405 [0,2,0,0,0,0|0,0,1]=3 10962 B18R2.10151 CCC(=O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000747405 [0,2,0,0,0,0|1,0,1]=4 10963 B18R2.10151 CCC(=O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000747405 [0,2,0,0,0,0|1,0,1]=4 10964 B18R2.10151 CCC(=O)COc1cc(c2ncccc2c1)F 7a_100009888031_100000747405 [0,2,0,0,0,0|1,0,1]=4 10965 B18R2.10151 CCC(=O)CSc1cc(c2ccccc2c1)N 62a_100000747405_100010171453 [0,2,0,0,0,0|0,1,1]=4 10966 B18R2.10151 CCC(=O)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000747405 [0,2,0,0,0,0|0,1,1]=4 10967 B18R2.10151 CCC(=O)CSc1cc(c2ccccc2c1)O 62a_100000747405_100010089979 [0,2,0,0,0,0|0,1,1]=4 10968 B18R2.10151 CCC(C)CNc1cc(c2ccccc2n1)C 27a_100020588543_100000184993 [0,2,0,0,0,0|2,0,0]=4 10969 B18R2.10151 CCC(C)CNc1cc(c2cnccc2c1)F 27a_100020588543_100011068762 [0,2,0,0,0,0|2,0,0]=4 10970 B18R2.10151 CCC(C)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000748023 [0,2,0,0,0,0|2,0,0]=4 10971 B18R2.10151 CCC(C)COc1cc(=O)n2ccccc2n1 34a_100000751361_100000748023 [0,2,0,0,0,0|2,0,0]=4 10972 B18R2.10151 CCC(C)COc1cc(c2cnccc2c1)Br 34a_100011009069_100000748023 [0,2,0,0,0,0|1,0,0]=3 10973 B18R2.10151 CCC(C)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000748023 [0,2,0,0,0,0|1,0,0]=3 10974 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100000748023 [0,2,0,0,0,0|1,0,0]=3 10975 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000748023 [0,2,0,0,0,0|1,0,0]=3 10976 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)F 34a_100009888031_100000748023 [0,2,0,0,0,0|1,0,0]=3 10977 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)F 7a_100009888031_100000748023 [0,2,0,0,0,0|1,0,0]=3 10978 B18R2.10151 CCC(C)COc1cc(c2ncccc2c1)N 34a_100000083691_100000748023 [0,2,0,0,0,0|1,0,0]=3 10979 B18R2.10151 CCC(C)CSc1cc(=O)c2ccccc2[nH]1 62a_100000748023_100000090176 [0,2,0,0,0,0|1,1,0]=4 10980 B18R2.10151 CCC(C)CSc1cc(c2ccccc2c1)N 62a_100000748023_100010171453 [0,2,0,0,0,0|0,1,0]=3 10981 B18R2.10151 CCC(C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000748023 [0,2,0,0,0,0|0,1,0]=3 10982 B18R2.10151 CCC(C)CSc1cc(c2ccccc2c1)O 62a_100000748023_100010089979 [0,2,0,0,0,0|0,1,0]=3 10983 B18R2.10151 CCC(C)CSc1cc(c2ccccc2n1)C 62a_100000748023_100000184993 [0,2,0,0,0,0|1,1,0]=4 10984 B18R2.10151 CCC(C)CSc1cc(c2ccccc2n1)C 62a_100012354972_100000748023 [0,2,0,0,0,0|1,1,0]=4 10985 B18R2.10151 CCC(C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100000748023 [0,2,0,0,0,0|1,1,0]=4 10986 B18R2.10151 CCC(C)CSc1cc(c2cccnc2c1)N 62a_100000748023_200010263263 [0,2,0,0,0,0|1,1,0]=4 10987 B18R2.10151 CCC(C)CSc1cc(c2cccnc2c1)N 62a_200010263263_100000748023 [0,2,0,0,0,0|1,1,0]=4 10988 B18R2.10151 CCC(C)CSc1cc(c2cnccc2c1)F 62a_100000748023_100011068762 [0,2,0,0,0,0|1,1,0]=4 10989 B18R2.10151 CCC(C)CSc1cc(c2cnccc2c1)F 62a_100011068762_100000748023 [0,2,0,0,0,0|1,1,0]=4 10990 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)C 62a_100000748023_100010130319 [0,2,0,0,0,0|1,1,0]=4 10991 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)F 62a_100000748023_100010234705 [0,2,0,0,0,0|1,1,0]=4 10992 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)F 62a_100010234705_100000748023 [0,2,0,0,0,0|1,1,0]=4 10993 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)N 62a_100000748023_100009814519 [0,2,0,0,0,0|1,1,0]=4 10994 B18R2.10151 CCC(C)CSc1cc(c2ncccc2c1)O 62a_100000748023_100010248853 [0,2,0,0,0,0|1,1,0]=4 10995 B18R2.10151 CCC(C)CSc1cc2ccccc2c(=O)[nH]1 62a_100000748023_200015811170 [0,2,0,0,0,0|1,1,0]=4 10996 B18R2.10151 CCC(C)CSc1cc2ccccc2c(n1)N 62a_100000748023_100009957331 [0,2,0,0,0,0|1,1,0]=4 10997 B18R2.10151 CCC(C)CSc1cc2ccccc2c(n1)N 62a_100009957331_100000748023 [0,2,0,0,0,0|1,1,0]=4 10998 B18R2.10151 CCC(O)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100011218378 [0,2,0,0,0,0|1,0,0]=3 10999 B18R2.10151 CCC(O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100011218378 [0,2,0,0,0,0|1,0,0]=3 11000 B18R2.10151 CCC(O)CNc1cc(c2ccccc2n1)C 27a_100011218483_100000184993 [0,2,0,0,0,0|2,0,0]=4 11001 B18R2.10151 CCC(O)CNc1cc(c2cnccc2c1)F 27a_100011218483_100011068762 [0,2,0,0,0,0|2,0,0]=4 11002 B18R2.10151 CCC(O)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100011218378 [0,2,0,0,0,0|2,0,0]=4 11003 B18R2.10151 CCC(O)COc1cc(=O)n2ccccc2n1 34a_100000751361_100011218378 [0,2,0,0,0,0|2,0,0]=4 11004 B18R2.10151 CCC(O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100011218378 [0,2,0,0,0,0|0,0,0]=2 11005 B18R2.10151 CCC(O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100011218378 [0,2,0,0,0,0|0,0,0]=2 11006 B18R2.10151 CCC(O)COc1cc(c2cnccc2c1)Br 34a_100011009069_100011218378 [0,2,0,0,0,0|1,0,0]=3 11007 B18R2.10151 CCC(O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100011218378 [0,2,0,0,0,0|1,0,0]=3 11008 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100011218378 [0,2,0,0,0,0|1,0,0]=3 11009 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100011218378 [0,2,0,0,0,0|1,0,0]=3 11010 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)F 34a_100009888031_100011218378 [0,2,0,0,0,0|1,0,0]=3 11011 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)F 7a_100009888031_100011218378 [0,2,0,0,0,0|1,0,0]=3 11012 B18R2.10151 CCC(O)COc1cc(c2ncccc2c1)N 34a_100000083691_100011218378 [0,2,0,0,0,0|1,0,0]=3 11013 B18R2.10151 CCC(O)CSc1cc(=O)c2ccccc2[nH]1 62a_100011218378_100000090176 [0,2,0,0,0,0|1,1,0]=4 11014 B18R2.10151 CCC(O)CSc1cc(c2ccccc2c1)N 62a_100010171453_100011218378 [0,2,0,0,0,0|0,1,0]=3 11015 B18R2.10151 CCC(O)CSc1cc(c2ccccc2c1)N 62a_100011218378_100010171453 [0,2,0,0,0,0|0,1,0]=3 11016 B18R2.10151 CCC(O)CSc1cc(c2ccccc2c1)O 62a_100011218378_100010089979 [0,2,0,0,0,0|0,1,0]=3 11017 B18R2.10151 CCC(O)CSc1cc(c2ccccc2n1)C 62a_100011218378_100000184993 [0,2,0,0,0,0|1,1,0]=4 11018 B18R2.10151 CCC(O)CSc1cc(c2ccccc2n1)C 62a_100012354972_100011218378 [0,2,0,0,0,0|1,1,0]=4 11019 B18R2.10151 CCC(O)CSc1cc(c2ccccc2n1)N 62a_100010197925_100011218378 [0,2,0,0,0,0|1,1,0]=4 11020 B18R2.10151 CCC(O)CSc1cc(c2cccnc2c1)N 62a_100011218378_200010263263 [0,2,0,0,0,0|1,1,0]=4 11021 B18R2.10151 CCC(O)CSc1cc(c2cccnc2c1)N 62a_200010263263_100011218378 [0,2,0,0,0,0|1,1,0]=4 11022 B18R2.10151 CCC(O)CSc1cc(c2cnccc2c1)F 62a_100011068762_100011218378 [0,2,0,0,0,0|1,1,0]=4 11023 B18R2.10151 CCC(O)CSc1cc(c2cnccc2c1)F 62a_100011218378_100011068762 [0,2,0,0,0,0|1,1,0]=4 11024 B18R2.10151 CCC(O)CSc1cc(c2ncccc2c1)C 62a_100011218378_100010130319 [0,2,0,0,0,0|1,1,0]=4 11025 B18R2.10151 CCC(O)CSc1cc(c2ncccc2c1)Cl 62a_100011218378_200010369337 [0,2,0,0,0,0|1,1,0]=4 11026 B18R2.10151 CCC(O)CSc1cc(c2ncccc2c1)F 62a_100010234705_100011218378 [0,2,0,0,0,0|1,1,0]=4 11027 B18R2.10151 CCC(O)CSc1cc(c2ncccc2c1)F 62a_100011218378_100010234705 [0,2,0,0,0,0|1,1,0]=4 11028 B18R2.10151 CCC(O)CSc1cc(c2ncccc2c1)N 62a_100011218378_100009814519 [0,2,0,0,0,0|1,1,0]=4 11029 B18R2.10151 CCC(O)CSc1cc(c2ncccc2c1)O 62a_100011218378_100010248853 [0,2,0,0,0,0|1,1,0]=4 11030 B18R2.10151 CCC(O)CSc1cc2ccccc2c(=O)[nH]1 62a_100011218378_200015811170 [0,2,0,0,0,0|1,1,0]=4 11031 B18R2.10151 CCC(O)CSc1cc2ccccc2c(n1)N 62a_100009957331_100011218378 [0,2,0,0,0,0|1,1,0]=4 11032 B18R2.10151 CCC(O)CSc1cc2ccccc2c(n1)N 62a_100011218378_100009957331 [0,2,0,0,0,0|1,1,0]=4 11033 B18R2.10151 CC[C@H](C)CNc1cc(c2ncccc2c1)Cl 34a_200009830422_100009816398 [0,2,0,0,0,0|2,0,0]=4 11034 B18R2.10151 CC[C@H](C)COc1cc(=O)n2ccccc2n1 34a_100000751361_100009816398 [0,2,0,0,0,0|2,0,0]=4 11035 B18R2.10151 CC[C@H](C)COc1cc(c2cnccc2c1)Br 34a_100011009069_100009816398 [0,2,0,0,0,0|1,0,0]=3 11036 B18R2.10151 CC[C@H](C)COc1cc(c2cnccc2c1)Br 7a_100011009069_100009816398 [0,2,0,0,0,0|1,0,0]=3 11037 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100009816398 [0,2,0,0,0,0|1,0,0]=3 11038 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100009816398 [0,2,0,0,0,0|1,0,0]=3 11039 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)F 34a_100009888031_100009816398 [0,2,0,0,0,0|1,0,0]=3 11040 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)F 7a_100009888031_100009816398 [0,2,0,0,0,0|1,0,0]=3 11041 B18R2.10151 CC[C@H](C)COc1cc(c2ncccc2c1)N 34a_100000083691_100009816398 [0,2,0,0,0,0|1,0,0]=3 11042 B18R2.10151 CC[C@H](C)CSc1cc(=O)c2ccccc2[nH]1 62a_100009816398_100000090176 [0,2,0,0,0,0|1,1,0]=4 11043 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2c1)N 62a_100009816398_100010171453 [0,2,0,0,0,0|0,1,0]=3 11044 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2c1)N 62a_100010171453_100009816398 [0,2,0,0,0,0|0,1,0]=3 11045 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2c1)O 62a_100009816398_100010089979 [0,2,0,0,0,0|0,1,0]=3 11046 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2n1)C 62a_100009816398_100000184993 [0,2,0,0,0,0|1,1,0]=4 11047 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2n1)C 62a_100012354972_100009816398 [0,2,0,0,0,0|1,1,0]=4 11048 B18R2.10151 CC[C@H](C)CSc1cc(c2ccccc2n1)N 62a_100010197925_100009816398 [0,2,0,0,0,0|1,1,0]=4 11049 B18R2.10151 CC[C@H](C)CSc1cc(c2cccnc2c1)N 62a_100009816398_200010263263 [0,2,0,0,0,0|1,1,0]=4 11050 B18R2.10151 CC[C@H](C)CSc1cc(c2cccnc2c1)N 62a_200010263263_100009816398 [0,2,0,0,0,0|1,1,0]=4 11051 B18R2.10151 CC[C@H](C)CSc1cc(c2cnccc2c1)F 62a_100009816398_100011068762 [0,2,0,0,0,0|1,1,0]=4 11052 B18R2.10151 CC[C@H](C)CSc1cc(c2cnccc2c1)F 62a_100011068762_100009816398 [0,2,0,0,0,0|1,1,0]=4 11053 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)C 62a_100009816398_100010130319 [0,2,0,0,0,0|1,1,0]=4 11054 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)F 62a_100009816398_100010234705 [0,2,0,0,0,0|1,1,0]=4 11055 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)F 62a_100010234705_100009816398 [0,2,0,0,0,0|1,1,0]=4 11056 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)N 62a_100009816398_100009814519 [0,2,0,0,0,0|1,1,0]=4 11057 B18R2.10151 CC[C@H](C)CSc1cc(c2ncccc2c1)O 62a_100009816398_100010248853 [0,2,0,0,0,0|1,1,0]=4 11058 B18R2.10151 CC[C@H](C)CSc1cc2ccccc2c(=O)[nH]1 62a_100009816398_200015811170 [0,2,0,0,0,0|1,1,0]=4 11059 B18R2.10151 CC[C@H](C)CSc1cc2ccccc2c(n1)N 62a_100009816398_100009957331 [0,2,0,0,0,0|1,1,0]=4 11060 B18R2.10151 CC[C@H](C)CSc1cc2ccccc2c(n1)N 62a_100009957331_100009816398 [0,2,0,0,0,0|1,1,0]=4 11061 B18R2.10151 CNC(=O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000183359 [0,2,0,0,0,0|1,0,1]=4 11062 B18R2.10151 CNC(=O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000183359 [0,2,0,0,0,0|1,0,1]=4 11063 B18R2.10151 COC(=O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000747449 [0,2,0,0,0,0|1,0,1]=4 11064 B18R2.10151 COC(=O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000747449 [0,2,0,0,0,0|1,0,1]=4 11065 B18R2.10151 C[C@@H](CO)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100000059175 [0,2,0,0,0,0|2,0,0]=4 11066 B18R2.10151 C[C@@H](CO)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100000059175 [0,2,0,0,0,0|2,0,0]=4 11067 B18R2.10151 C[C@@H](CO)COc1cc(c2ccccc2c1)Br 34a_100010001680_100000059175 [0,2,0,0,0,0|1,0,0]=3 11068 B18R2.10151 C[C@@H](CO)COc1cc(c2ccccc2c1)Br 7a_100010001680_100000059175 [0,2,0,0,0,0|1,0,0]=3 11069 B18R2.10151 C[C@@H](CO)COc1cc(c2cnccc2c1)Br 34a_100011009069_100000059175 [0,2,0,0,0,0|2,0,0]=4 11070 B18R2.10151 C[C@@H](CO)COc1cc(c2cnccc2c1)Br 7a_100011009069_100000059175 [0,2,0,0,0,0|2,0,0]=4 11071 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100000059175 [0,2,0,0,0,0|2,0,0]=4 11072 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100000059175 [0,2,0,0,0,0|2,0,0]=4 11073 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)F 34a_100009888031_100000059175 [0,2,0,0,0,0|2,0,0]=4 11074 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)F 7a_100009888031_100000059175 [0,2,0,0,0,0|2,0,0]=4 11075 B18R2.10151 C[C@@H](CO)COc1cc(c2ncccc2c1)N 34a_100000083691_100000059175 [0,2,0,0,0,0|2,0,0]=4 11076 B18R2.10151 C[C@@H](CO)CSc1cc(c2ccccc2c1)N 62a_100000059175_100010171453 [0,2,0,0,0,0|1,1,0]=4 11077 B18R2.10151 C[C@@H](CO)CSc1cc(c2ccccc2c1)N 62a_100010171453_100000059175 [0,2,0,0,0,0|1,1,0]=4 11078 B18R2.10151 C[C@@H](CO)CSc1cc(c2ccccc2c1)O 62a_100000059175_100010089979 [0,2,0,0,0,0|1,1,0]=4 11079 B18R2.10151 Nc1cc(cc2c1cccc2)SCC(O)CO 62a_100010171453_100011219619 [0,2,0,0,0,0|1,1,0]=4 11080 B18R2.10151 Nc1cc(cc2c1cccc2)SCC(O)CO 62a_100011219619_100010171453 [0,2,0,0,0,0|1,1,0]=4 11081 B18R2.10151 Nc1cc(cc2c1cccc2)SC[C@@H](O)CF 62a_100010171453_100015614560 [0,2,0,0,0,0|1,1,0]=4 11082 B18R2.10151 Nc1cc(cc2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100010171453 [0,2,0,0,0,0|1,1,0]=4 11083 B18R2.10151 Nc1cc(cc2c1cccc2)SC[C@@H](O)CO 62a_100009815848_100010171453 [0,2,0,0,0,0|1,1,0]=4 11084 B18R2.10151 Nc1cc(cc2c1cccc2)SC[C@@H](O)CO 62a_100010171453_100009815848 [0,2,0,0,0,0|1,1,0]=4 11085 B18R2.10151 Nc1cc(cc2c1nccc2)OCC(O)CO 34a_100000083691_100011219619 [0,2,0,0,0,0|2,0,0]=4 11086 B18R2.10151 Nc1cc(cc2c1nccc2)OC[C@@H](O)CF 34a_100000083691_100015614560 [0,2,0,0,0,0|2,0,0]=4 11087 B18R2.10151 Nc1cc(cc2c1nccc2)OC[C@@H](O)CO 34a_100000083691_100009815848 [0,2,0,0,0,0|2,0,0]=4 11088 B18R2.10151 OCC(O)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100011219619 [0,2,0,0,0,0|2,0,0]=4 11089 B18R2.10151 OCC(O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100011219619 [0,2,0,0,0,0|2,0,0]=4 11090 B18R2.10151 OCC(O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100011219619 [0,2,0,0,0,0|1,0,0]=3 11091 B18R2.10151 OCC(O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100011219619 [0,2,0,0,0,0|1,0,0]=3 11092 B18R2.10151 OCC(O)COc1cc(c2cnccc2c1)Br 34a_100011009069_100011219619 [0,2,0,0,0,0|2,0,0]=4 11093 B18R2.10151 OCC(O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100011219619 [0,2,0,0,0,0|2,0,0]=4 11094 B18R2.10151 OCC(O)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100011219619 [0,2,0,0,0,0|2,0,0]=4 11095 B18R2.10151 OCC(O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100011219619 [0,2,0,0,0,0|2,0,0]=4 11096 B18R2.10151 OCC(O)COc1cc(c2ncccc2c1)F 34a_100009888031_100011219619 [0,2,0,0,0,0|2,0,0]=4 11097 B18R2.10151 OCC(O)COc1cc(c2ncccc2c1)F 7a_100009888031_100011219619 [0,2,0,0,0,0|2,0,0]=4 11098 B18R2.10151 OCC(O)CSc1cc(c2ccccc2c1)O 62a_100011219619_100010089979 [0,2,0,0,0,0|1,1,0]=4 11099 B18R2.10151 OC[C@H](O)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100009815848 [0,2,0,0,0,0|2,0,0]=4 11100 B18R2.10151 OC[C@H](O)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100009815848 [0,2,0,0,0,0|2,0,0]=4 11101 B18R2.10151 OC[C@H](O)COc1cc(c2ccccc2c1)Br 34a_100010001680_100009815848 [0,2,0,0,0,0|1,0,0]=3 11102 B18R2.10151 OC[C@H](O)COc1cc(c2ccccc2c1)Br 7a_100010001680_100009815848 [0,2,0,0,0,0|1,0,0]=3 11103 B18R2.10151 OC[C@H](O)COc1cc(c2cnccc2c1)Br 34a_100011009069_100009815848 [0,2,0,0,0,0|2,0,0]=4 11104 B18R2.10151 OC[C@H](O)COc1cc(c2cnccc2c1)Br 7a_100011009069_100009815848 [0,2,0,0,0,0|2,0,0]=4 11105 B18R2.10151 OC[C@H](O)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100009815848 [0,2,0,0,0,0|2,0,0]=4 11106 B18R2.10151 OC[C@H](O)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100009815848 [0,2,0,0,0,0|2,0,0]=4 11107 B18R2.10151 OC[C@H](O)COc1cc(c2ncccc2c1)F 34a_100009888031_100009815848 [0,2,0,0,0,0|2,0,0]=4 11108 B18R2.10151 OC[C@H](O)COc1cc(c2ncccc2c1)F 7a_100009888031_100009815848 [0,2,0,0,0,0|2,0,0]=4 11109 B18R2.10151 OC[C@H](O)CSc1cc(c2ccccc2c1)O 62a_100009815848_100010089979 [0,2,0,0,0,0|1,1,0]=4 11110 B18R2.10151 O[C@@H](CF)CNc1cc(c2ccccc2c1)Br 34a_100010089974_100015614560 [0,2,0,0,0,0|2,0,0]=4 11111 B18R2.10151 O[C@@H](CF)CNc1cc(c2ccccc2c1)Br 7a_100010089974_100015614560 [0,2,0,0,0,0|2,0,0]=4 11112 B18R2.10151 O[C@@H](CF)COc1cc(c2ccccc2c1)Br 34a_100010001680_100015614560 [0,2,0,0,0,0|1,0,0]=3 11113 B18R2.10151 O[C@@H](CF)COc1cc(c2ccccc2c1)Br 7a_100010001680_100015614560 [0,2,0,0,0,0|1,0,0]=3 11114 B18R2.10151 O[C@@H](CF)COc1cc(c2cnccc2c1)Br 34a_100011009069_100015614560 [0,2,0,0,0,0|2,0,0]=4 11115 B18R2.10151 O[C@@H](CF)COc1cc(c2cnccc2c1)Br 7a_100011009069_100015614560 [0,2,0,0,0,0|2,0,0]=4 11116 B18R2.10151 O[C@@H](CF)COc1cc(c2ncccc2c1)Cl 34a_100000097192_100015614560 [0,2,0,0,0,0|2,0,0]=4 11117 B18R2.10151 O[C@@H](CF)COc1cc(c2ncccc2c1)Cl 7a_100000097192_100015614560 [0,2,0,0,0,0|2,0,0]=4 11118 B18R2.10151 O[C@@H](CF)COc1cc(c2ncccc2c1)F 34a_100009888031_100015614560 [0,2,0,0,0,0|2,0,0]=4 11119 B18R2.10151 O[C@@H](CF)COc1cc(c2ncccc2c1)F 7a_100009888031_100015614560 [0,2,0,0,0,0|2,0,0]=4 11120 B18R2.10151 Oc1cc(cc2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100010089979 [0,2,0,0,0,0|1,1,0]=4 11121 B18R2.12980 CC(=O)C(=O)COc1ccc2ccccc2c1 34a_100000185828_100011261029 [0,2,0,0,0,0|0,0,2]=4 11122 B18R2.12980 CC(C)C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_100000210206 [0,2,0,0,0,0|1,0,1]=4 11123 B18R2.12980 CC(C)C(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000753385 [0,2,0,0,0,0|1,0,1]=4 11124 B18R2.12980 CC(C)C(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000753385 [0,2,0,0,0,0|1,0,1]=4 11125 B18R2.12980 CC(C)C(=O)COc1ccc2ccccc2c1 1458a_100000185456_100000210206 [0,2,0,0,0,0|0,0,1]=3 11126 B18R2.12980 CC(C)C(=O)COc1ccc2ccccc2c1 34a_100000185828_100000753385 [0,2,0,0,0,0|0,0,1]=3 11127 B18R2.12980 CC(C)C(=O)COc1ccc2ccccc2c1 7a_100000185828_100000753385 [0,2,0,0,0,0|0,0,1]=3 11128 B18R2.12980 CC(C)C(=O)COc1ccc2cccnc2c1 34a_100011216045_100000753385 [0,2,0,0,0,0|1,0,1]=4 11129 B18R2.12980 CC(C)C(=O)COc1ccc2ccncc2c1 7a_100000752006_100000753385 [0,2,0,0,0,0|1,0,1]=4 11130 B18R2.12980 CC(C)C(=O)COc1ccc2cnccc2c1 34a_100000046372_100000753385 [0,2,0,0,0,0|1,0,1]=4 11131 B18R2.12980 CC(C)C(=O)COc1ccc2cnccc2c1 7a_100000046372_100000753385 [0,2,0,0,0,0|1,0,1]=4 11132 B18R2.12980 CC(C)C(=O)COc1ccc2ncccc2c1 34a_100011215586_100000753385 [0,2,0,0,0,0|1,0,1]=4 11133 B18R2.12980 CC(C)C(=O)COc1ccc2ncccc2c1 7a_100011215586_100000753385 [0,2,0,0,0,0|1,0,1]=4 11134 B18R2.12980 CC(C)C(=O)COc1cnc2ccccc2c1 34a_100011934006_100000753385 [0,2,0,0,0,0|1,0,1]=4 11135 B18R2.12980 CC(C)C(=O)COc1cnc2ccccc2c1 7a_100011934006_100000753385 [0,2,0,0,0,0|1,0,1]=4 11136 B18R2.12980 CC(C)C(=O)CSc1ccc2ccccc2c1 1458a_100000181792_100000210206 [0,2,0,0,0,0|0,1,1]=4 11137 B18R2.12980 CC(C)C(=O)CSc1ccc2ccccc2c1 62a_100000753385_100000233703 [0,2,0,0,0,0|0,1,1]=4 11138 B18R2.12980 CC(C)C(C)NCc1ccc2ccccc2c1 207a_100000211541_100000211584 [0,2,0,0,0,0|2,0,0]=4 11139 B18R2.12980 CC(C)C(C)NCc1ccc2ccccc2c1 2230a_100000211541_100011216711 [0,2,0,0,0,0|2,0,0]=4 11140 B18R2.12980 CC(C)C(C)NCc1ccc2ccccc2c1 270004a_100000211541_100000211584 [0,2,0,0,0,0|2,0,0]=4 11141 B18R2.12980 CC(C)C(C)OCc1ccc2ccccc2c1 7a_100000748068_100011216711 [0,2,0,0,0,0|2,0,0]=4 11142 B18R2.12980 CC(C)C(O)CNc1ccc2ccccc2n1 27a_100000759067_100011291633 [0,2,0,0,0,0|2,0,0]=4 11143 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 11a_100102631434_100000185456 [0,2,0,0,0,0|1,0,1]=4 11144 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 1626a_100102631434_100000185456 [0,2,0,0,0,0|1,0,1]=4 11145 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 240690a_100102631434_100000185456 [0,2,0,0,0,0|1,0,1]=4 11146 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 34a_100000185828_100000692301 [0,2,0,0,0,0|1,0,1]=4 11147 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 527a_100102631434_100000185456 [0,2,0,0,0,0|1,0,1]=4 11148 B18R2.12980 CN(C)C(=O)COc1ccc2ccccc2c1 7a_100000185828_100000692301 [0,2,0,0,0,0|1,0,1]=4 11149 B18R2.30019 CCC(=O)C(C)Nc1ccc2ccccc2c1 7a_100000211940_100000742827 [0,2,0,0,0,0|1,0,1]=4 11150 B18R2.30019 CCC(=O)C(C)Oc1ccc2ccccc2c1 7a_100000185828_100000742827 [0,2,0,0,0,0|0,0,1]=3 11151 B18R2.30019 CCC(=O)C(C)Oc1ccc2ccncc2c1 7a_100000752006_100000742827 [0,2,0,0,0,0|1,0,1]=4 11152 B18R2.30019 CCC(=O)C(C)Oc1ccc2cnccc2c1 7a_100000046372_100000742827 [0,2,0,0,0,0|1,0,1]=4 11153 B18R2.30019 CCC(=O)C(C)Oc1ccc2ncccc2c1 7a_100011215586_100000742827 [0,2,0,0,0,0|1,0,1]=4 11154 B18R2.30019 CCC(=O)C(C)Oc1cnc2ccccc2c1 7a_100011934006_100000742827 [0,2,0,0,0,0|1,0,1]=4 11155 B18R2.30019 CCC(=O)C(C)Sc1ccc2ccccc2c1 62a_100000742827_100000233703 [0,2,0,0,0,0|0,1,1]=4 11156 B18R2.30019 CCC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000758301 [0,2,0,0,0,0|1,0,1]=4 11157 B18R2.30019 CCC(C)C(=O)Cc1ccc2ccccc2c1 1458a_100011192722_100011216711 [0,2,0,0,0,0|1,0,1]=4 11158 B18R2.30019 CCC(C)C(=O)Nc1ccc2ccccc2c1 11a_100000211940_100011192722 [0,2,0,0,0,0|1,0,1]=4 11159 B18R2.30019 CCC(C)C(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100011192722 [0,2,0,0,0,0|1,0,1]=4 11160 B18R2.30019 CCC(C)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100011192722 [0,2,0,0,0,0|1,0,1]=4 11161 B18R2.30019 CCC(C)C(=O)Nc1ccc2ccccc2c1 527a_100000211940_100011192722 [0,2,0,0,0,0|1,0,1]=4 11162 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000758301 [0,2,0,0,0,0|2,0,0]=4 11163 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 2230a_100000741768_100011216711 [0,2,0,0,0,0|2,0,0]=4 11164 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000758301 [0,2,0,0,0,0|2,0,0]=4 11165 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 269982a_100000741768_100011216711 [0,2,0,0,0,0|2,0,0]=4 11166 B18R2.30019 CCC(C)N(C)Cc1ccc2ccccc2c1 270004a_100000741768_100000211584 [0,2,0,0,0,0|2,0,0]=4 11167 B18R2.30019 CCC(O)C(=O)Cc1ccc2ccccc2c1 1458a_100011196387_100011216711 [0,2,0,0,0,0|1,0,1]=4 11168 B18R2.30019 CCC(O)C(=O)Nc1ccc2ccccc2c1 22a_100000211940_100011196387 [0,2,0,0,0,0|1,0,1]=4 11169 B18R2.30019 CNC(=O)C(C)Oc1ccc2ccccc2c1 34a_100000185828_100000731044 [0,2,0,0,0,0|1,0,1]=4 11170 B18R2.30019 CNC(=O)C(C)Oc1ccc2ccccc2c1 7a_100000185828_100000209862 [0,2,0,0,0,0|1,0,1]=4 11171 B18R2.30019 CNC(=O)C(F)Oc1ccc2ccccc2c1 34a_100000185828_100009813575 [0,2,0,0,0,0|1,0,1]=4 11172 B18R2.30019 CNC(=O)C(F)Oc1ccc2ccccc2c1 7a_100000185828_100009813575 [0,2,0,0,0,0|1,0,1]=4 11173 B18R2.30019 COC(=O)C(C)Oc1ccc2ccccc2c1 34a_100000185828_100000211248 [0,2,0,0,0,0|1,0,1]=4 11174 B18R2.30019 COC(=O)C(C)Oc1ccc2ccccc2c1 7a_100000185828_100000211248 [0,2,0,0,0,0|1,0,1]=4 11175 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1Br 34a_100009817189_100000730141 [0,2,0,0,0,0|0,0,2]=4 11176 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1Br 7a_100009817189_100000730141 [0,2,0,0,0,0|0,0,2]=4 11177 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1C 34a_100000091601_100000730141 [0,2,0,0,0,0|0,0,2]=4 11178 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1C 7a_100000091601_100000730141 [0,2,0,0,0,0|0,0,2]=4 11179 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1N 34a_106744474703_100000730141 [0,2,0,0,0,0|0,0,2]=4 11180 B18R2.95330 C=CC(O)COc1cc2ccccc2cc1N 7a_106744474703_100000730141 [0,2,0,0,0,0|0,0,2]=4 11181 B18R2.95330 CCC(=O)CNc1cc2ccccc2cc1Br 7a_100009991566_100000747405 [0,2,0,0,0,0|1,0,1]=4 11182 B18R2.95330 CCC(=O)COc1cc2ccccc2cc1Br 7a_100009817189_100000747405 [0,2,0,0,0,0|0,0,1]=3 11183 B18R2.95330 CCC(=O)COc1cc2ccccc2cc1C 7a_100000091601_100000747405 [0,2,0,0,0,0|0,0,1]=3 11184 B18R2.95330 CCC(=O)COc1cc2ccccc2cc1N 7a_106744474703_100000747405 [0,2,0,0,0,0|0,0,1]=3 11185 B18R2.95330 CCC(=O)COc1cc2ccccc2nc1C 7a_200000079175_100000747405 [0,2,0,0,0,0|1,0,1]=4 11186 B18R2.95330 CCC(=O)COc1cc2ccccc2nc1Cl 7a_200000100762_100000747405 [0,2,0,0,0,0|1,0,1]=4 11187 B18R2.95330 CCC(=O)COc1cc2ccccc2oc1=O 7a_100000061252_100000747405 [0,2,0,0,0,0|1,0,1]=4 11188 B18R2.95330 CCC(=O)COc1cc2cccnc2cc1Br 7a_200010153759_100000747405 [0,2,0,0,0,0|1,0,1]=4 11189 B18R2.95330 CCC(=O)CSc1cc2ccccc2cc1Br 62a_100000747405_200010169544 [0,2,0,0,0,0|0,1,1]=4 11190 B18R2.95330 CCC(=O)CSc1cc2ccccc2cc1Br 62a_200010169544_100000747405 [0,2,0,0,0,0|0,1,1]=4 11191 B18R2.95330 CCC(=O)CSc1cc2ccccc2cc1Cl 62a_100000747405_100010152806 [0,2,0,0,0,0|0,1,1]=4 11192 B18R2.95330 CCC(=O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100000747405 [0,2,0,0,0,0|0,1,1]=4 11193 B18R2.95330 CCC(=O)CSc1cc2ccccc2cc1N 62a_100000747405_100009991566 [0,2,0,0,0,0|0,1,1]=4 11194 B18R2.95330 CCC(=O)CSc1cc2ccccc2cc1N 62a_100009991566_100000747405 [0,2,0,0,0,0|0,1,1]=4 11195 B18R2.95330 CCC(=O)CSc1cc2ccccc2cc1O 62a_100000747405_100009817189 [0,2,0,0,0,0|0,1,1]=4 11196 B18R2.95330 CCC(C)CNc1nc2ccccc2cc1C 27a_100020588543_100000751756 [0,2,0,0,0,0|2,0,0]=4 11197 B18R2.95330 CCC(C)COc1cc2ccccc2cc1C 34a_100000091601_100000748023 [0,2,0,0,0,0|0,0,0]=2 11198 B18R2.95330 CCC(C)COc1cc2ccccc2cc1C 7a_100000091601_100000748023 [0,2,0,0,0,0|0,0,0]=2 11199 B18R2.95330 CCC(C)COc1cc2ccccc2cc1N 34a_106744474703_100000748023 [0,2,0,0,0,0|0,0,0]=2 11200 B18R2.95330 CCC(C)COc1cc2ccccc2cc1N 7a_106744474703_100000748023 [0,2,0,0,0,0|0,0,0]=2 11201 B18R2.95330 CCC(C)COc1cc2ccccc2nc1C 34a_200000079175_100000748023 [0,2,0,0,0,0|1,0,0]=3 11202 B18R2.95330 CCC(C)COc1cc2ccccc2nc1C 7a_200000079175_100000748023 [0,2,0,0,0,0|1,0,0]=3 11203 B18R2.95330 CCC(C)COc1cc2ccccc2nc1Cl 34a_200000100762_100000748023 [0,2,0,0,0,0|1,0,0]=3 11204 B18R2.95330 CCC(C)COc1cc2ccccc2nc1Cl 7a_200000100762_100000748023 [0,2,0,0,0,0|1,0,0]=3 11205 B18R2.95330 CCC(C)COc1cc2ccccc2oc1=O 7a_100000061252_100000748023 [0,2,0,0,0,0|1,0,0]=3 11206 B18R2.95330 CCC(C)COc1cc2cccnc2cc1Br 34a_200010153759_100000748023 [0,2,0,0,0,0|1,0,0]=3 11207 B18R2.95330 CCC(C)COc1cc2cccnc2cc1Br 7a_200010153759_100000748023 [0,2,0,0,0,0|1,0,0]=3 11208 B18R2.95330 CCC(C)CSc1cc2ccccc2cc1N 62a_100000748023_100009991566 [0,2,0,0,0,0|0,1,0]=3 11209 B18R2.95330 CCC(C)CSc1cc2ccccc2cc1N 62a_100009991566_100000748023 [0,2,0,0,0,0|0,1,0]=3 11210 B18R2.95330 CCC(C)CSc1cc2ccccc2cc1O 62a_100000748023_100009817189 [0,2,0,0,0,0|0,1,0]=3 11211 B18R2.95330 CCC(C)CSc1cc2ccccc2nc1F 62a_100000748023_100011158909 [0,2,0,0,0,0|1,1,0]=4 11212 B18R2.95330 CCC(C)CSc1cc2ccccc2nc1F 62a_100011158909_100000748023 [0,2,0,0,0,0|1,1,0]=4 11213 B18R2.95330 CCC(C)CSc1cc2ccccc2nc1N 62a_100010135404_100000748023 [0,2,0,0,0,0|1,1,0]=4 11214 B18R2.95330 CCC(C)CSc1cc2ccccc2nc1O 62a_100000748023_200009820883 [0,2,0,0,0,0|1,1,0]=4 11215 B18R2.95330 CCC(C)CSc1cc2ccccc2oc1=O 62a_100000748023_200000187772 [0,2,0,0,0,0|1,1,0]=4 11216 B18R2.95330 CCC(C)CSc1cc2cccnc2cc1C 62a_100000748023_100010137429 [0,2,0,0,0,0|1,1,0]=4 11217 B18R2.95330 CCC(C)CSc1cc2cccnc2cc1C 62a_100010137429_100000748023 [0,2,0,0,0,0|1,1,0]=4 11218 B18R2.95330 CCC(C)CSc1cc2cccnc2cc1F 62a_100000748023_100009854028 [0,2,0,0,0,0|1,1,0]=4 11219 B18R2.95330 CCC(C)CSc1cc2cccnc2cc1F 62a_100009854028_100000748023 [0,2,0,0,0,0|1,1,0]=4 11220 B18R2.95330 CCC(C)CSc1cc2ccncc2cc1F 62a_100000748023_100011105921 [0,2,0,0,0,0|1,1,0]=4 11221 B18R2.95330 CCC(C)CSc1cc2ccncc2cc1F 62a_100011105921_100000748023 [0,2,0,0,0,0|1,1,0]=4 11222 B18R2.95330 CCC(C)CSc1cc2cnccc2cc1F 62a_100000748023_100010244713 [0,2,0,0,0,0|1,1,0]=4 11223 B18R2.95330 CCC(C)CSc1cc2cnccc2cc1F 62a_100010244713_100000748023 [0,2,0,0,0,0|1,1,0]=4 11224 B18R2.95330 CCC(C)CSc1cc2ncccc2cc1O 62a_100000748023_200010153759 [0,2,0,0,0,0|1,1,0]=4 11225 B18R2.95330 CCC(C)CSc1nc2ccccc2cc1C 62a_100000748023_100000751756 [0,2,0,0,0,0|1,1,0]=4 11226 B18R2.95330 CCC(C)CSc1nc2ccccc2cc1O 62a_100000748023_200000100762 [0,2,0,0,0,0|1,1,0]=4 11227 B18R2.95330 CCC(O)CNc1cc2ccccc2cc1Br 34a_100009991566_100011218378 [0,2,0,0,0,0|1,0,0]=3 11228 B18R2.95330 CCC(O)CNc1cc2ccccc2cc1Br 7a_100009991566_100011218378 [0,2,0,0,0,0|1,0,0]=3 11229 B18R2.95330 CCC(O)CNc1nc2ccccc2cc1C 27a_100011218483_100000751756 [0,2,0,0,0,0|2,0,0]=4 11230 B18R2.95330 CCC(O)COc1cc2ccccc2cc1Br 34a_100009817189_100011218378 [0,2,0,0,0,0|0,0,0]=2 11231 B18R2.95330 CCC(O)COc1cc2ccccc2cc1Br 7a_100009817189_100011218378 [0,2,0,0,0,0|0,0,0]=2 11232 B18R2.95330 CCC(O)COc1cc2ccccc2cc1C 34a_100000091601_100011218378 [0,2,0,0,0,0|0,0,0]=2 11233 B18R2.95330 CCC(O)COc1cc2ccccc2cc1C 7a_100000091601_100011218378 [0,2,0,0,0,0|0,0,0]=2 11234 B18R2.95330 CCC(O)COc1cc2ccccc2cc1N 34a_106744474703_100011218378 [0,2,0,0,0,0|0,0,0]=2 11235 B18R2.95330 CCC(O)COc1cc2ccccc2cc1N 7a_106744474703_100011218378 [0,2,0,0,0,0|0,0,0]=2 11236 B18R2.95330 CCC(O)COc1cc2ccccc2nc1C 34a_200000079175_100011218378 [0,2,0,0,0,0|1,0,0]=3 11237 B18R2.95330 CCC(O)COc1cc2ccccc2nc1C 7a_200000079175_100011218378 [0,2,0,0,0,0|1,0,0]=3 11238 B18R2.95330 CCC(O)COc1cc2ccccc2nc1Cl 34a_200000100762_100011218378 [0,2,0,0,0,0|1,0,0]=3 11239 B18R2.95330 CCC(O)COc1cc2ccccc2nc1Cl 7a_200000100762_100011218378 [0,2,0,0,0,0|1,0,0]=3 11240 B18R2.95330 CCC(O)COc1cc2ccccc2oc1=O 7a_100000061252_100011218378 [0,2,0,0,0,0|1,0,0]=3 11241 B18R2.95330 CCC(O)COc1cc2cccnc2cc1Br 34a_200010153759_100011218378 [0,2,0,0,0,0|1,0,0]=3 11242 B18R2.95330 CCC(O)COc1cc2cccnc2cc1Br 7a_200010153759_100011218378 [0,2,0,0,0,0|1,0,0]=3 11243 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1Br 62a_100011218378_200010169544 [0,2,0,0,0,0|0,1,0]=3 11244 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1Br 62a_200010169544_100011218378 [0,2,0,0,0,0|0,1,0]=3 11245 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100011218378 [0,2,0,0,0,0|0,1,0]=3 11246 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1Cl 62a_100011218378_100010152806 [0,2,0,0,0,0|0,1,0]=3 11247 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1N 62a_100009991566_100011218378 [0,2,0,0,0,0|0,1,0]=3 11248 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1N 62a_100011218378_100009991566 [0,2,0,0,0,0|0,1,0]=3 11249 B18R2.95330 CCC(O)CSc1cc2ccccc2cc1O 62a_100011218378_100009817189 [0,2,0,0,0,0|0,1,0]=3 11250 B18R2.95330 CCC(O)CSc1cc2ccccc2nc1Cl 62a_100011218378_100010220712 [0,2,0,0,0,0|1,1,0]=4 11251 B18R2.95330 CCC(O)CSc1cc2ccccc2nc1F 62a_100011158909_100011218378 [0,2,0,0,0,0|1,1,0]=4 11252 B18R2.95330 CCC(O)CSc1cc2ccccc2nc1F 62a_100011218378_100011158909 [0,2,0,0,0,0|1,1,0]=4 11253 B18R2.95330 CCC(O)CSc1cc2ccccc2nc1N 62a_100010135404_100011218378 [0,2,0,0,0,0|1,1,0]=4 11254 B18R2.95330 CCC(O)CSc1cc2ccccc2nc1O 62a_100011218378_200009820883 [0,2,0,0,0,0|1,1,0]=4 11255 B18R2.95330 CCC(O)CSc1cc2ccccc2oc1=O 62a_100011218378_200000187772 [0,2,0,0,0,0|1,1,0]=4 11256 B18R2.95330 CCC(O)CSc1cc2cccnc2cc1C 62a_100010137429_100011218378 [0,2,0,0,0,0|1,1,0]=4 11257 B18R2.95330 CCC(O)CSc1cc2cccnc2cc1C 62a_100011218378_100010137429 [0,2,0,0,0,0|1,1,0]=4 11258 B18R2.95330 CCC(O)CSc1cc2cccnc2cc1F 62a_100009854028_100011218378 [0,2,0,0,0,0|1,1,0]=4 11259 B18R2.95330 CCC(O)CSc1cc2cccnc2cc1F 62a_100011218378_100009854028 [0,2,0,0,0,0|1,1,0]=4 11260 B18R2.95330 CCC(O)CSc1cc2ccncc2cc1F 62a_100011105921_100011218378 [0,2,0,0,0,0|1,1,0]=4 11261 B18R2.95330 CCC(O)CSc1cc2ccncc2cc1F 62a_100011218378_100011105921 [0,2,0,0,0,0|1,1,0]=4 11262 B18R2.95330 CCC(O)CSc1cc2cnccc2cc1F 62a_100010244713_100011218378 [0,2,0,0,0,0|1,1,0]=4 11263 B18R2.95330 CCC(O)CSc1cc2cnccc2cc1F 62a_100011218378_100010244713 [0,2,0,0,0,0|1,1,0]=4 11264 B18R2.95330 CCC(O)CSc1cc2ncccc2cc1O 62a_100011218378_200010153759 [0,2,0,0,0,0|1,1,0]=4 11265 B18R2.95330 CCC(O)CSc1nc2ccccc2cc1Br 62a_100010072790_100011218378 [0,2,0,0,0,0|1,1,0]=4 11266 B18R2.95330 CCC(O)CSc1nc2ccccc2cc1Br 62a_100011218378_100010072790 [0,2,0,0,0,0|1,1,0]=4 11267 B18R2.95330 CCC(O)CSc1nc2ccccc2cc1C 62a_100011218378_100000751756 [0,2,0,0,0,0|1,1,0]=4 11268 B18R2.95330 CCC(O)CSc1nc2ccccc2cc1O 62a_100011218378_200000100762 [0,2,0,0,0,0|1,1,0]=4 11269 B18R2.95330 CC[C@H](C)COc1cc2ccccc2cc1C 34a_100000091601_100009816398 [0,2,0,0,0,0|0,0,0]=2 11270 B18R2.95330 CC[C@H](C)COc1cc2ccccc2cc1C 7a_100000091601_100009816398 [0,2,0,0,0,0|0,0,0]=2 11271 B18R2.95330 CC[C@H](C)COc1cc2ccccc2cc1N 34a_106744474703_100009816398 [0,2,0,0,0,0|0,0,0]=2 11272 B18R2.95330 CC[C@H](C)COc1cc2ccccc2cc1N 7a_106744474703_100009816398 [0,2,0,0,0,0|0,0,0]=2 11273 B18R2.95330 CC[C@H](C)COc1cc2ccccc2nc1C 34a_200000079175_100009816398 [0,2,0,0,0,0|1,0,0]=3 11274 B18R2.95330 CC[C@H](C)COc1cc2ccccc2nc1C 7a_200000079175_100009816398 [0,2,0,0,0,0|1,0,0]=3 11275 B18R2.95330 CC[C@H](C)COc1cc2ccccc2nc1Cl 34a_200000100762_100009816398 [0,2,0,0,0,0|1,0,0]=3 11276 B18R2.95330 CC[C@H](C)COc1cc2ccccc2nc1Cl 7a_200000100762_100009816398 [0,2,0,0,0,0|1,0,0]=3 11277 B18R2.95330 CC[C@H](C)COc1cc2ccccc2oc1=O 7a_100000061252_100009816398 [0,2,0,0,0,0|1,0,0]=3 11278 B18R2.95330 CC[C@H](C)COc1cc2cccnc2cc1Br 34a_200010153759_100009816398 [0,2,0,0,0,0|1,0,0]=3 11279 B18R2.95330 CC[C@H](C)COc1cc2cccnc2cc1Br 7a_200010153759_100009816398 [0,2,0,0,0,0|1,0,0]=3 11280 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2cc1N 62a_100009816398_100009991566 [0,2,0,0,0,0|0,1,0]=3 11281 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2cc1N 62a_100009991566_100009816398 [0,2,0,0,0,0|0,1,0]=3 11282 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2cc1O 62a_100009816398_100009817189 [0,2,0,0,0,0|0,1,0]=3 11283 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2nc1F 62a_100009816398_100011158909 [0,2,0,0,0,0|1,1,0]=4 11284 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2nc1F 62a_100011158909_100009816398 [0,2,0,0,0,0|1,1,0]=4 11285 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2nc1N 62a_100010135404_100009816398 [0,2,0,0,0,0|1,1,0]=4 11286 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2nc1O 62a_100009816398_200009820883 [0,2,0,0,0,0|1,1,0]=4 11287 B18R2.95330 CC[C@H](C)CSc1cc2ccccc2oc1=O 62a_100009816398_200000187772 [0,2,0,0,0,0|1,1,0]=4 11288 B18R2.95330 CC[C@H](C)CSc1cc2cccnc2cc1C 62a_100009816398_100010137429 [0,2,0,0,0,0|1,1,0]=4 11289 B18R2.95330 CC[C@H](C)CSc1cc2cccnc2cc1C 62a_100010137429_100009816398 [0,2,0,0,0,0|1,1,0]=4 11290 B18R2.95330 CC[C@H](C)CSc1cc2cccnc2cc1F 62a_100009816398_100009854028 [0,2,0,0,0,0|1,1,0]=4 11291 B18R2.95330 CC[C@H](C)CSc1cc2cccnc2cc1F 62a_100009854028_100009816398 [0,2,0,0,0,0|1,1,0]=4 11292 B18R2.95330 CC[C@H](C)CSc1cc2ccncc2cc1F 62a_100009816398_100011105921 [0,2,0,0,0,0|1,1,0]=4 11293 B18R2.95330 CC[C@H](C)CSc1cc2ccncc2cc1F 62a_100011105921_100009816398 [0,2,0,0,0,0|1,1,0]=4 11294 B18R2.95330 CC[C@H](C)CSc1cc2cnccc2cc1F 62a_100009816398_100010244713 [0,2,0,0,0,0|1,1,0]=4 11295 B18R2.95330 CC[C@H](C)CSc1cc2cnccc2cc1F 62a_100010244713_100009816398 [0,2,0,0,0,0|1,1,0]=4 11296 B18R2.95330 CC[C@H](C)CSc1cc2ncccc2cc1O 62a_100009816398_200010153759 [0,2,0,0,0,0|1,1,0]=4 11297 B18R2.95330 CC[C@H](C)CSc1nc2ccccc2cc1C 62a_100009816398_100000751756 [0,2,0,0,0,0|1,1,0]=4 11298 B18R2.95330 CC[C@H](C)CSc1nc2ccccc2cc1O 62a_100009816398_200000100762 [0,2,0,0,0,0|1,1,0]=4 11299 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1Br 34a_100009817189_100000183359 [0,2,0,0,0,0|1,0,1]=4 11300 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1Br 7a_100009817189_100000183359 [0,2,0,0,0,0|1,0,1]=4 11301 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1C 34a_100000091601_100000183359 [0,2,0,0,0,0|1,0,1]=4 11302 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1C 7a_100000091601_100000183359 [0,2,0,0,0,0|1,0,1]=4 11303 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1N 34a_106744474703_100000183359 [0,2,0,0,0,0|1,0,1]=4 11304 B18R2.95330 CNC(=O)COc1cc2ccccc2cc1N 7a_106744474703_100000183359 [0,2,0,0,0,0|1,0,1]=4 11305 B18R2.95330 COC(=O)COc1cc2ccccc2cc1Br 34a_100009817189_100000747449 [0,2,0,0,0,0|1,0,1]=4 11306 B18R2.95330 COC(=O)COc1cc2ccccc2cc1Br 7a_100009817189_100000747449 [0,2,0,0,0,0|1,0,1]=4 11307 B18R2.95330 COC(=O)COc1cc2ccccc2cc1C 34a_100000091601_100000747449 [0,2,0,0,0,0|1,0,1]=4 11308 B18R2.95330 COC(=O)COc1cc2ccccc2cc1C 7a_100000091601_100000747449 [0,2,0,0,0,0|1,0,1]=4 11309 B18R2.95330 COC(=O)COc1cc2ccccc2cc1N 34a_106744474703_100000747449 [0,2,0,0,0,0|1,0,1]=4 11310 B18R2.95330 COC(=O)COc1cc2ccccc2cc1N 7a_106744474703_100000747449 [0,2,0,0,0,0|1,0,1]=4 11311 B18R2.95330 C[C@@H](CO)CNc1cc2ccccc2cc1Br 34a_100009991566_100000059175 [0,2,0,0,0,0|2,0,0]=4 11312 B18R2.95330 C[C@@H](CO)CNc1cc2ccccc2cc1Br 7a_100009991566_100000059175 [0,2,0,0,0,0|2,0,0]=4 11313 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2cc1Br 34a_100009817189_100000059175 [0,2,0,0,0,0|1,0,0]=3 11314 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2cc1Br 7a_100009817189_100000059175 [0,2,0,0,0,0|1,0,0]=3 11315 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2cc1N 34a_106744474703_100000059175 [0,2,0,0,0,0|1,0,0]=3 11316 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2cc1N 7a_106744474703_100000059175 [0,2,0,0,0,0|1,0,0]=3 11317 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2nc1Cl 34a_200000100762_100000059175 [0,2,0,0,0,0|2,0,0]=4 11318 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2nc1Cl 7a_200000100762_100000059175 [0,2,0,0,0,0|2,0,0]=4 11319 B18R2.95330 C[C@@H](CO)COc1cc2ccccc2oc1=O 7a_100000061252_100000059175 [0,2,0,0,0,0|2,0,0]=4 11320 B18R2.95330 C[C@@H](CO)COc1cc2cccnc2cc1Br 34a_200010153759_100000059175 [0,2,0,0,0,0|2,0,0]=4 11321 B18R2.95330 C[C@@H](CO)COc1cc2cccnc2cc1Br 7a_200010153759_100000059175 [0,2,0,0,0,0|2,0,0]=4 11322 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1Br 62a_100000059175_200010169544 [0,2,0,0,0,0|1,1,0]=4 11323 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1Br 62a_200010169544_100000059175 [0,2,0,0,0,0|1,1,0]=4 11324 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1Cl 62a_100000059175_100010152806 [0,2,0,0,0,0|1,1,0]=4 11325 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1Cl 62a_100010152806_100000059175 [0,2,0,0,0,0|1,1,0]=4 11326 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1N 62a_100000059175_100009991566 [0,2,0,0,0,0|1,1,0]=4 11327 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1N 62a_100009991566_100000059175 [0,2,0,0,0,0|1,1,0]=4 11328 B18R2.95330 C[C@@H](CO)CSc1cc2ccccc2cc1O 62a_100000059175_100009817189 [0,2,0,0,0,0|1,1,0]=4 11329 B18R2.95330 Cc1cc2ccccc2cc1OCC(O)CO 34a_100000091601_100011219619 [0,2,0,0,0,0|1,0,0]=3 11330 B18R2.95330 Cc1cc2ccccc2cc1OCC(O)CO 7a_100000091601_100011219619 [0,2,0,0,0,0|1,0,0]=3 11331 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](C)CO 34a_100000091601_100000059175 [0,2,0,0,0,0|1,0,0]=3 11332 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](C)CO 7a_100000091601_100000059175 [0,2,0,0,0,0|1,0,0]=3 11333 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](O)CF 34a_100000091601_100015614560 [0,2,0,0,0,0|1,0,0]=3 11334 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](O)CF 7a_100000091601_100015614560 [0,2,0,0,0,0|1,0,0]=3 11335 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](O)CO 34a_100000091601_100009815848 [0,2,0,0,0,0|1,0,0]=3 11336 B18R2.95330 Cc1cc2ccccc2cc1OC[C@@H](O)CO 7a_100000091601_100009815848 [0,2,0,0,0,0|1,0,0]=3 11337 B18R2.95330 Cc1nc2ccccc2cc1OCC(O)CO 34a_200000079175_100011219619 [0,2,0,0,0,0|2,0,0]=4 11338 B18R2.95330 Cc1nc2ccccc2cc1OCC(O)CO 7a_200000079175_100011219619 [0,2,0,0,0,0|2,0,0]=4 11339 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](C)CO 34a_200000079175_100000059175 [0,2,0,0,0,0|2,0,0]=4 11340 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](C)CO 7a_200000079175_100000059175 [0,2,0,0,0,0|2,0,0]=4 11341 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](O)CF 34a_200000079175_100015614560 [0,2,0,0,0,0|2,0,0]=4 11342 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](O)CF 7a_200000079175_100015614560 [0,2,0,0,0,0|2,0,0]=4 11343 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](O)CO 34a_200000079175_100009815848 [0,2,0,0,0,0|2,0,0]=4 11344 B18R2.95330 Cc1nc2ccccc2cc1OC[C@@H](O)CO 7a_200000079175_100009815848 [0,2,0,0,0,0|2,0,0]=4 11345 B18R2.95330 Nc1cc2ccccc2cc1OCC(O)CO 34a_106744474703_100011219619 [0,2,0,0,0,0|1,0,0]=3 11346 B18R2.95330 Nc1cc2ccccc2cc1OCC(O)CO 7a_106744474703_100011219619 [0,2,0,0,0,0|1,0,0]=3 11347 B18R2.95330 Nc1cc2ccccc2cc1OC[C@@H](O)CF 34a_106744474703_100015614560 [0,2,0,0,0,0|1,0,0]=3 11348 B18R2.95330 Nc1cc2ccccc2cc1OC[C@@H](O)CF 7a_106744474703_100015614560 [0,2,0,0,0,0|1,0,0]=3 11349 B18R2.95330 Nc1cc2ccccc2cc1OC[C@@H](O)CO 34a_106744474703_100009815848 [0,2,0,0,0,0|1,0,0]=3 11350 B18R2.95330 Nc1cc2ccccc2cc1OC[C@@H](O)CO 7a_106744474703_100009815848 [0,2,0,0,0,0|1,0,0]=3 11351 B18R2.95330 Nc1cc2ccccc2cc1SCC(O)CO 62a_100009991566_100011219619 [0,2,0,0,0,0|1,1,0]=4 11352 B18R2.95330 Nc1cc2ccccc2cc1SCC(O)CO 62a_100011219619_100009991566 [0,2,0,0,0,0|1,1,0]=4 11353 B18R2.95330 Nc1cc2ccccc2cc1SC[C@@H](O)CF 62a_100009991566_100015614560 [0,2,0,0,0,0|1,1,0]=4 11354 B18R2.95330 Nc1cc2ccccc2cc1SC[C@@H](O)CF 62a_100015614560_100009991566 [0,2,0,0,0,0|1,1,0]=4 11355 B18R2.95330 Nc1cc2ccccc2cc1SC[C@@H](O)CO 62a_100009815848_100009991566 [0,2,0,0,0,0|1,1,0]=4 11356 B18R2.95330 Nc1cc2ccccc2cc1SC[C@@H](O)CO 62a_100009991566_100009815848 [0,2,0,0,0,0|1,1,0]=4 11357 B18R2.95330 O=c1oc2ccccc2cc1OCC(O)CO 7a_100000061252_100011219619 [0,2,0,0,0,0|2,0,0]=4 11358 B18R2.95330 O=c1oc2ccccc2cc1OC[C@@H](O)CF 7a_100000061252_100015614560 [0,2,0,0,0,0|2,0,0]=4 11359 B18R2.95330 O=c1oc2ccccc2cc1OC[C@@H](O)CO 7a_100000061252_100009815848 [0,2,0,0,0,0|2,0,0]=4 11360 B18R2.95330 OCC(O)CNc1cc2ccccc2cc1Br 34a_100009991566_100011219619 [0,2,0,0,0,0|2,0,0]=4 11361 B18R2.95330 OCC(O)CNc1cc2ccccc2cc1Br 7a_100009991566_100011219619 [0,2,0,0,0,0|2,0,0]=4 11362 B18R2.95330 OCC(O)COc1cc2ccccc2cc1Br 34a_100009817189_100011219619 [0,2,0,0,0,0|1,0,0]=3 11363 B18R2.95330 OCC(O)COc1cc2ccccc2cc1Br 7a_100009817189_100011219619 [0,2,0,0,0,0|1,0,0]=3 11364 B18R2.95330 OCC(O)COc1cc2ccccc2nc1Cl 34a_200000100762_100011219619 [0,2,0,0,0,0|2,0,0]=4 11365 B18R2.95330 OCC(O)COc1cc2ccccc2nc1Cl 7a_200000100762_100011219619 [0,2,0,0,0,0|2,0,0]=4 11366 B18R2.95330 OCC(O)COc1cc2cccnc2cc1Br 34a_200010153759_100011219619 [0,2,0,0,0,0|2,0,0]=4 11367 B18R2.95330 OCC(O)COc1cc2cccnc2cc1Br 7a_200010153759_100011219619 [0,2,0,0,0,0|2,0,0]=4 11368 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1Br 62a_100011219619_200010169544 [0,2,0,0,0,0|1,1,0]=4 11369 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1Br 62a_200010169544_100011219619 [0,2,0,0,0,0|1,1,0]=4 11370 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100011219619 [0,2,0,0,0,0|1,1,0]=4 11371 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1Cl 62a_100011219619_100010152806 [0,2,0,0,0,0|1,1,0]=4 11372 B18R2.95330 OCC(O)CSc1cc2ccccc2cc1O 62a_100011219619_100009817189 [0,2,0,0,0,0|1,1,0]=4 11373 B18R2.95330 OC[C@H](O)CNc1cc2ccccc2cc1Br 34a_100009991566_100009815848 [0,2,0,0,0,0|2,0,0]=4 11374 B18R2.95330 OC[C@H](O)CNc1cc2ccccc2cc1Br 7a_100009991566_100009815848 [0,2,0,0,0,0|2,0,0]=4 11375 B18R2.95330 OC[C@H](O)COc1cc2ccccc2cc1Br 34a_100009817189_100009815848 [0,2,0,0,0,0|1,0,0]=3 11376 B18R2.95330 OC[C@H](O)COc1cc2ccccc2cc1Br 7a_100009817189_100009815848 [0,2,0,0,0,0|1,0,0]=3 11377 B18R2.95330 OC[C@H](O)COc1cc2ccccc2nc1Cl 34a_200000100762_100009815848 [0,2,0,0,0,0|2,0,0]=4 11378 B18R2.95330 OC[C@H](O)COc1cc2ccccc2nc1Cl 7a_200000100762_100009815848 [0,2,0,0,0,0|2,0,0]=4 11379 B18R2.95330 OC[C@H](O)COc1cc2cccnc2cc1Br 34a_200010153759_100009815848 [0,2,0,0,0,0|2,0,0]=4 11380 B18R2.95330 OC[C@H](O)COc1cc2cccnc2cc1Br 7a_200010153759_100009815848 [0,2,0,0,0,0|2,0,0]=4 11381 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1Br 62a_100009815848_200010169544 [0,2,0,0,0,0|1,1,0]=4 11382 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1Br 62a_200010169544_100009815848 [0,2,0,0,0,0|1,1,0]=4 11383 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1Cl 62a_100009815848_100010152806 [0,2,0,0,0,0|1,1,0]=4 11384 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1Cl 62a_100010152806_100009815848 [0,2,0,0,0,0|1,1,0]=4 11385 B18R2.95330 OC[C@H](O)CSc1cc2ccccc2cc1O 62a_100009815848_100009817189 [0,2,0,0,0,0|1,1,0]=4 11386 B18R2.95330 O[C@@H](CF)CNc1cc2ccccc2cc1Br 34a_100009991566_100015614560 [0,2,0,0,0,0|2,0,0]=4 11387 B18R2.95330 O[C@@H](CF)CNc1cc2ccccc2cc1Br 7a_100009991566_100015614560 [0,2,0,0,0,0|2,0,0]=4 11388 B18R2.95330 O[C@@H](CF)COc1cc2ccccc2cc1Br 34a_100009817189_100015614560 [0,2,0,0,0,0|1,0,0]=3 11389 B18R2.95330 O[C@@H](CF)COc1cc2ccccc2cc1Br 7a_100009817189_100015614560 [0,2,0,0,0,0|1,0,0]=3 11390 B18R2.95330 O[C@@H](CF)COc1cc2ccccc2nc1Cl 34a_200000100762_100015614560 [0,2,0,0,0,0|2,0,0]=4 11391 B18R2.95330 O[C@@H](CF)COc1cc2ccccc2nc1Cl 7a_200000100762_100015614560 [0,2,0,0,0,0|2,0,0]=4 11392 B18R2.95330 O[C@@H](CF)COc1cc2cccnc2cc1Br 34a_200010153759_100015614560 [0,2,0,0,0,0|2,0,0]=4 11393 B18R2.95330 O[C@@H](CF)COc1cc2cccnc2cc1Br 7a_200010153759_100015614560 [0,2,0,0,0,0|2,0,0]=4 11394 B18R2.95330 O[C@@H](CF)CSc1cc2ccccc2cc1Br 62a_100015614560_200010169544 [0,2,0,0,0,0|1,1,0]=4 11395 B18R2.95330 O[C@@H](CF)CSc1cc2ccccc2cc1Br 62a_200010169544_100015614560 [0,2,0,0,0,0|1,1,0]=4 11396 B18R2.95330 O[C@@H](CF)CSc1cc2ccccc2cc1Cl 62a_100010152806_100015614560 [0,2,0,0,0,0|1,1,0]=4 11397 B18R2.95330 O[C@@H](CF)CSc1cc2ccccc2cc1Cl 62a_100015614560_100010152806 [0,2,0,0,0,0|1,1,0]=4 11398 B18R2.95330 Oc1cc2ccccc2cc1SC[C@@H](O)CF 62a_100015614560_100009817189 [0,2,0,0,0,0|1,1,0]=4 11399 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000730141 [0,2,0,0,0,0|0,0,2]=4 11400 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000730141 [0,2,0,0,0,0|0,0,2]=4 11401 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)C 34a_100000074090_100000730141 [0,2,0,0,0,0|0,0,2]=4 11402 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000730141 [0,2,0,0,0,0|0,0,2]=4 11403 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000730141 [0,2,0,0,0,0|0,0,2]=4 11404 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000730141 [0,2,0,0,0,0|0,0,2]=4 11405 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000730141 [0,2,0,0,0,0|0,0,2]=4 11406 B18R2.101667 C=CC(O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000730141 [0,2,0,0,0,0|0,0,2]=4 11407 B18R2.101667 CCC(=O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000747405 [0,2,0,0,0,0|1,0,1]=4 11408 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)Br 1458a_100000191258_100000210202 [0,2,0,0,0,0|0,0,1]=3 11409 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000747405 [0,2,0,0,0,0|0,0,1]=3 11410 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000747405 [0,2,0,0,0,0|0,0,1]=3 11411 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000747405 [0,2,0,0,0,0|0,0,1]=3 11412 B18R2.101667 CCC(=O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000747405 [0,2,0,0,0,0|0,0,1]=3 11413 B18R2.101667 CCC(=O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000747405 [0,2,0,0,0,0|1,0,1]=4 11414 B18R2.101667 CCC(=O)COc1ccc2nc(ccc2c1)C 7a_100000037634_100000747405 [0,2,0,0,0,0|1,0,1]=4 11415 B18R2.101667 CCC(=O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000747405 [0,2,0,0,0,0|1,0,1]=4 11416 B18R2.101667 CCC(=O)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000747405 [0,2,0,0,0,0|1,0,1]=4 11417 B18R2.101667 CCC(=O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000747405 [0,2,0,0,0,0|1,0,1]=4 11418 B18R2.101667 CCC(=O)CSc1ccc2cc(ccc2c1)Br 62a_100000747405_100012344972 [0,2,0,0,0,0|0,1,1]=4 11419 B18R2.101667 CCC(=O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000747405 [0,2,0,0,0,0|0,1,1]=4 11420 B18R2.101667 CCC(=O)CSc1ccc2cc(ccc2c1)F 62a_100000747405_100009817052 [0,2,0,0,0,0|0,1,1]=4 11421 B18R2.101667 CCC(=O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100000747405 [0,2,0,0,0,0|0,1,1]=4 11422 B18R2.101667 CCC(=O)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000747405 [0,2,0,0,0,0|0,1,1]=4 11423 B18R2.101667 CCC(=O)CSc1ccc2cc(ccc2c1)N 62a_100000747405_100000185457 [0,2,0,0,0,0|0,1,1]=4 11424 B18R2.101667 CCC(=O)CSc1ccc2cc(ccc2c1)O 62a_100000747405_100000185455 [0,2,0,0,0,0|0,1,1]=4 11425 B18R2.101667 CCC(C)CNc1ccc2cc(ccc2n1)C 27a_100020588543_100011865911 [0,2,0,0,0,0|2,0,0]=4 11426 B18R2.101667 CCC(C)CNc1ccc2cc(ccc2n1)F 27a_100020588543_100011998705 [0,2,0,0,0,0|2,0,0]=4 11427 B18R2.101667 CCC(C)CNc1ccc2cc(cnc2c1)Br 27a_100020588543_200015509644 [0,2,0,0,0,0|2,0,0]=4 11428 B18R2.101667 CCC(C)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000748023 [0,2,0,0,0,0|2,0,0]=4 11429 B18R2.101667 CCC(C)CNc1ccc2nc(ccc2c1)C 34a_100011216442_100000748023 [0,2,0,0,0,0|2,0,0]=4 11430 B18R2.101667 CCC(C)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000748023 [0,2,0,0,0,0|2,0,0]=4 11431 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)C 34a_100000074090_100000748023 [0,2,0,0,0,0|0,0,0]=2 11432 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000748023 [0,2,0,0,0,0|0,0,0]=2 11433 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000748023 [0,2,0,0,0,0|0,0,0]=2 11434 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000748023 [0,2,0,0,0,0|0,0,0]=2 11435 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000748023 [0,2,0,0,0,0|0,0,0]=2 11436 B18R2.101667 CCC(C)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000748023 [0,2,0,0,0,0|0,0,0]=2 11437 B18R2.101667 CCC(C)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100000748023 [0,2,0,0,0,0|1,0,0]=3 11438 B18R2.101667 CCC(C)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000748023 [0,2,0,0,0,0|1,0,0]=3 11439 B18R2.101667 CCC(C)COc1ccc2nc(ccc2c1)C 34a_100000037634_100000748023 [0,2,0,0,0,0|1,0,0]=3 11440 B18R2.101667 CCC(C)COc1ccc2nc(ccc2c1)C 7a_100000037634_100000748023 [0,2,0,0,0,0|1,0,0]=3 11441 B18R2.101667 CCC(C)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000748023 [0,2,0,0,0,0|1,0,0]=3 11442 B18R2.101667 CCC(C)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000748023 [0,2,0,0,0,0|1,0,0]=3 11443 B18R2.101667 CCC(C)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000748023 [0,2,0,0,0,0|2,0,0]=4 11444 B18R2.101667 CCC(C)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100000748023 [0,2,0,0,0,0|1,0,0]=3 11445 B18R2.101667 CCC(C)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000748023 [0,2,0,0,0,0|1,0,0]=3 11446 B18R2.101667 CCC(C)COc1cnc2cc(ccc2c1)F 34a_100012184162_100000748023 [0,2,0,0,0,0|1,0,0]=3 11447 B18R2.101667 CCC(C)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000748023 [0,2,0,0,0,0|1,0,0]=3 11448 B18R2.101667 CCC(C)CSc1ccc2[nH]c(=O)ccc2c1 62a_100000748023_100011934725 [0,2,0,0,0,0|1,1,0]=4 11449 B18R2.101667 CCC(C)CSc1ccc2c[n+](ccc2c1)C 62a_100000748023_100015191232 [0,2,0,0,0,0|1,1,0]=4 11450 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000748023 [0,2,0,0,0,0|0,1,0]=3 11451 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2c1)N 62a_100000748023_100000185457 [0,2,0,0,0,0|0,1,0]=3 11452 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2c1)O 62a_100000748023_100000185455 [0,2,0,0,0,0|0,1,0]=3 11453 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)C 62a_100000748023_100011865911 [0,2,0,0,0,0|1,1,0]=4 11454 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)C 62a_200000181977_100000748023 [0,2,0,0,0,0|1,1,0]=4 11455 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)F 62a_100000748023_100011998705 [0,2,0,0,0,0|1,1,0]=4 11456 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100000748023 [0,2,0,0,0,0|1,1,0]=4 11457 B18R2.101667 CCC(C)CSc1ccc2cc(ccc2n1)O 62a_100000748023_100009849208 [0,2,0,0,0,0|1,1,0]=4 11458 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)C 62a_100000748023_100010751441 [0,2,0,0,0,0|1,1,0]=4 11459 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)F 62a_100000748023_100010751466 [0,2,0,0,0,0|1,1,0]=4 11460 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100000748023 [0,2,0,0,0,0|1,1,0]=4 11461 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)N 62a_100000748023_100010142226 [0,2,0,0,0,0|1,1,0]=4 11462 B18R2.101667 CCC(C)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100000748023 [0,2,0,0,0,0|1,1,0]=4 11463 B18R2.101667 CCC(C)CSc1ccc2cc(ncc2c1)N 62a_100000748023_100010232990 [0,2,0,0,0,0|1,1,0]=4 11464 B18R2.101667 CCC(C)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100000748023 [0,2,0,0,0,0|1,1,0]=4 11465 B18R2.101667 CCC(C)CSc1ccc2nc(ccc2c1)C 62a_100000686635_100000748023 [0,2,0,0,0,0|1,1,0]=4 11466 B18R2.101667 CCC(C)CSc1ccc2nc(ccc2c1)C 62a_100000748023_100000686635 [0,2,0,0,0,0|1,1,0]=4 11467 B18R2.101667 CCC(C)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100000748023 [0,2,0,0,0,0|1,1,0]=4 11468 B18R2.101667 CCC(C)CSc1ccc2oc(=O)ccc2c1 62a_100000748023_100009999946 [0,2,0,0,0,0|1,1,0]=4 11469 B18R2.101667 CCC(C)CSc1cnc2cc(ccc2c1)N 62a_100000748023_200010264087 [0,2,0,0,0,0|1,1,0]=4 11470 B18R2.101667 CCC(C)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100000748023 [0,2,0,0,0,0|1,1,0]=4 11471 B18R2.101667 CCC(C)CSc1cnc2cc(ccc2c1)O 62a_100000748023_200010153753 [0,2,0,0,0,0|1,1,0]=4 11472 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)Br 207a_100000209981_100012356508 [0,2,0,0,0,0|2,0,0]=4 11473 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)Br 2230a_100000209981_100012356510 [0,2,0,0,0,0|2,0,0]=4 11474 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)Br 270004a_100000209981_100012356508 [0,2,0,0,0,0|2,0,0]=4 11475 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)O 207a_100000209981_100000067190 [0,2,0,0,0,0|2,0,0]=4 11476 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)O 270004a_100000209981_100000067190 [0,2,0,0,0,0|2,0,0]=4 11477 B18R2.101667 CCC(C)NCc1ccc2cc(ccc2c1)O 34a_200000083168_100011215416 [0,2,0,0,0,0|2,0,0]=4 11478 B18R2.101667 CCC(C)OCc1ccc2cc(ccc2c1)Br 34a_100012356509_100011215416 [0,2,0,0,0,0|2,0,0]=4 11479 B18R2.101667 CCC(C)OCc1ccc2cc(ccc2c1)Br 7a_100000210228_100012356510 [0,2,0,0,0,0|2,0,0]=4 11480 B18R2.101667 CCC(C)OCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000758301 [0,2,0,0,0,0|2,0,0]=4 11481 B18R2.101667 CCC(O)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011218378 [0,2,0,0,0,0|1,0,0]=3 11482 B18R2.101667 CCC(O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011218378 [0,2,0,0,0,0|1,0,0]=3 11483 B18R2.101667 CCC(O)CNc1ccc2cc(ccc2n1)C 27a_100011218483_100011865911 [0,2,0,0,0,0|2,0,0]=4 11484 B18R2.101667 CCC(O)CNc1ccc2cc(ccc2n1)F 27a_100011218483_100011998705 [0,2,0,0,0,0|2,0,0]=4 11485 B18R2.101667 CCC(O)CNc1ccc2cc(cnc2c1)Br 27a_100011218483_200015509644 [0,2,0,0,0,0|2,0,0]=4 11486 B18R2.101667 CCC(O)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100011218378 [0,2,0,0,0,0|2,0,0]=4 11487 B18R2.101667 CCC(O)CNc1ccc2nc(ccc2c1)C 34a_100011216442_100011218378 [0,2,0,0,0,0|2,0,0]=4 11488 B18R2.101667 CCC(O)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100011218378 [0,2,0,0,0,0|2,0,0]=4 11489 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100011218378 [0,2,0,0,0,0|0,0,0]=2 11490 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100011218378 [0,2,0,0,0,0|0,0,0]=2 11491 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)C 34a_100000074090_100011218378 [0,2,0,0,0,0|0,0,0]=2 11492 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100011218378 [0,2,0,0,0,0|0,0,0]=2 11493 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011218378 [0,2,0,0,0,0|0,0,0]=2 11494 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011218378 [0,2,0,0,0,0|0,0,0]=2 11495 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100011218378 [0,2,0,0,0,0|0,0,0]=2 11496 B18R2.101667 CCC(O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100011218378 [0,2,0,0,0,0|0,0,0]=2 11497 B18R2.101667 CCC(O)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100011218378 [0,2,0,0,0,0|1,0,0]=3 11498 B18R2.101667 CCC(O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100011218378 [0,2,0,0,0,0|1,0,0]=3 11499 B18R2.101667 CCC(O)COc1ccc2nc(ccc2c1)C 34a_100000037634_100011218378 [0,2,0,0,0,0|1,0,0]=3 11500 B18R2.101667 CCC(O)COc1ccc2nc(ccc2c1)C 7a_100000037634_100011218378 [0,2,0,0,0,0|1,0,0]=3 11501 B18R2.101667 CCC(O)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011218378 [0,2,0,0,0,0|1,0,0]=3 11502 B18R2.101667 CCC(O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011218378 [0,2,0,0,0,0|1,0,0]=3 11503 B18R2.101667 CCC(O)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100011218378 [0,2,0,0,0,0|2,0,0]=4 11504 B18R2.101667 CCC(O)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100011218378 [0,2,0,0,0,0|1,0,0]=3 11505 B18R2.101667 CCC(O)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100011218378 [0,2,0,0,0,0|1,0,0]=3 11506 B18R2.101667 CCC(O)COc1cnc2cc(ccc2c1)F 34a_100012184162_100011218378 [0,2,0,0,0,0|1,0,0]=3 11507 B18R2.101667 CCC(O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100011218378 [0,2,0,0,0,0|1,0,0]=3 11508 B18R2.101667 CCC(O)CSc1ccc2[nH]c(=O)ccc2c1 62a_100011218378_100011934725 [0,2,0,0,0,0|1,1,0]=4 11509 B18R2.101667 CCC(O)CSc1ccc2c[n+](ccc2c1)C 62a_100011218378_100015191232 [0,2,0,0,0,0|1,1,0]=4 11510 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)Br 62a_100011218378_100012344972 [0,2,0,0,0,0|0,1,0]=3 11511 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011218378 [0,2,0,0,0,0|0,1,0]=3 11512 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100011218378 [0,2,0,0,0,0|0,1,0]=3 11513 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)F 62a_100011218378_100009817052 [0,2,0,0,0,0|0,1,0]=3 11514 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100011218378 [0,2,0,0,0,0|0,1,0]=3 11515 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)N 62a_100011218378_100000185457 [0,2,0,0,0,0|0,1,0]=3 11516 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2c1)O 62a_100011218378_100000185455 [0,2,0,0,0,0|0,1,0]=3 11517 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2n1)C 62a_100011218378_100011865911 [0,2,0,0,0,0|1,1,0]=4 11518 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2n1)C 62a_200000181977_100011218378 [0,2,0,0,0,0|1,1,0]=4 11519 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2n1)F 62a_100011218378_100011998705 [0,2,0,0,0,0|1,1,0]=4 11520 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100011218378 [0,2,0,0,0,0|1,1,0]=4 11521 B18R2.101667 CCC(O)CSc1ccc2cc(ccc2n1)O 62a_100011218378_100009849208 [0,2,0,0,0,0|1,1,0]=4 11522 B18R2.101667 CCC(O)CSc1ccc2cc(cnc2c1)Br 62a_100011218378_200015509644 [0,2,0,0,0,0|1,1,0]=4 11523 B18R2.101667 CCC(O)CSc1ccc2cc(cnc2c1)Br 62a_200015509644_100011218378 [0,2,0,0,0,0|1,1,0]=4 11524 B18R2.101667 CCC(O)CSc1ccc2cc(cnc2c1)C 62a_100011218378_100010751441 [0,2,0,0,0,0|1,1,0]=4 11525 B18R2.101667 CCC(O)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100011218378 [0,2,0,0,0,0|1,1,0]=4 11526 B18R2.101667 CCC(O)CSc1ccc2cc(cnc2c1)F 62a_100011218378_100010751466 [0,2,0,0,0,0|1,1,0]=4 11527 B18R2.101667 CCC(O)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100011218378 [0,2,0,0,0,0|1,1,0]=4 11528 B18R2.101667 CCC(O)CSc1ccc2cc(cnc2c1)N 62a_100011218378_100010142226 [0,2,0,0,0,0|1,1,0]=4 11529 B18R2.101667 CCC(O)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100011218378 [0,2,0,0,0,0|1,1,0]=4 11530 B18R2.101667 CCC(O)CSc1ccc2cc(ncc2c1)N 62a_100011218378_100010232990 [0,2,0,0,0,0|1,1,0]=4 11531 B18R2.101667 CCC(O)CSc1ccc2nc(ccc2c1)C 62a_100000686635_100011218378 [0,2,0,0,0,0|1,1,0]=4 11532 B18R2.101667 CCC(O)CSc1ccc2nc(ccc2c1)C 62a_100011218378_100000686635 [0,2,0,0,0,0|1,1,0]=4 11533 B18R2.101667 CCC(O)CSc1ccc2nc(ccc2c1)Cl 62a_100011218378_200012034268 [0,2,0,0,0,0|1,1,0]=4 11534 B18R2.101667 CCC(O)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100011218378 [0,2,0,0,0,0|1,1,0]=4 11535 B18R2.101667 CCC(O)CSc1ccc2oc(=O)ccc2c1 62a_100011218378_100009999946 [0,2,0,0,0,0|1,1,0]=4 11536 B18R2.101667 CCC(O)CSc1cnc2cc(ccc2c1)Cl 62a_100011218378_100015716233 [0,2,0,0,0,0|1,1,0]=4 11537 B18R2.101667 CCC(O)CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100011218378 [0,2,0,0,0,0|1,1,0]=4 11538 B18R2.101667 CCC(O)CSc1cnc2cc(ccc2c1)N 62a_100011218378_200010264087 [0,2,0,0,0,0|1,1,0]=4 11539 B18R2.101667 CCC(O)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100011218378 [0,2,0,0,0,0|1,1,0]=4 11540 B18R2.101667 CCC(O)CSc1cnc2cc(ccc2c1)O 62a_100011218378_200010153753 [0,2,0,0,0,0|1,1,0]=4 11541 B18R2.101667 CC[C@H](C)CNc1ccc2cc(cnc2c1)Br 34a_200010264087_100009816398 [0,2,0,0,0,0|2,0,0]=4 11542 B18R2.101667 CC[C@H](C)CNc1ccc2nc(ccc2c1)C 34a_100011216442_100009816398 [0,2,0,0,0,0|2,0,0]=4 11543 B18R2.101667 CC[C@H](C)CNc1ccc2oc(=O)ccc2c1 7a_100000008519_100009816398 [0,2,0,0,0,0|2,0,0]=4 11544 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)C 34a_100000074090_100009816398 [0,2,0,0,0,0|0,0,0]=2 11545 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)C 7a_100000074090_100009816398 [0,2,0,0,0,0|0,0,0]=2 11546 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009816398 [0,2,0,0,0,0|0,0,0]=2 11547 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100009816398 [0,2,0,0,0,0|0,0,0]=2 11548 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)F 34a_100009847029_100009816398 [0,2,0,0,0,0|0,0,0]=2 11549 B18R2.101667 CC[C@H](C)COc1ccc2cc(ccc2c1)F 7a_100009847029_100009816398 [0,2,0,0,0,0|0,0,0]=2 11550 B18R2.101667 CC[C@H](C)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100009816398 [0,2,0,0,0,0|1,0,0]=3 11551 B18R2.101667 CC[C@H](C)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100009816398 [0,2,0,0,0,0|1,0,0]=3 11552 B18R2.101667 CC[C@H](C)COc1ccc2nc(ccc2c1)C 34a_100000037634_100009816398 [0,2,0,0,0,0|1,0,0]=3 11553 B18R2.101667 CC[C@H](C)COc1ccc2nc(ccc2c1)C 7a_100000037634_100009816398 [0,2,0,0,0,0|1,0,0]=3 11554 B18R2.101667 CC[C@H](C)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100009816398 [0,2,0,0,0,0|1,0,0]=3 11555 B18R2.101667 CC[C@H](C)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100009816398 [0,2,0,0,0,0|1,0,0]=3 11556 B18R2.101667 CC[C@H](C)COc1ccc2nc(cnc2c1)Cl 34a_200010664160_100009816398 [0,2,0,0,0,0|2,0,0]=4 11557 B18R2.101667 CC[C@H](C)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100009816398 [0,2,0,0,0,0|1,0,0]=3 11558 B18R2.101667 CC[C@H](C)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100009816398 [0,2,0,0,0,0|1,0,0]=3 11559 B18R2.101667 CC[C@H](C)COc1cnc2cc(ccc2c1)F 34a_100012184162_100009816398 [0,2,0,0,0,0|1,0,0]=3 11560 B18R2.101667 CC[C@H](C)COc1cnc2cc(ccc2c1)F 7a_100012184162_100009816398 [0,2,0,0,0,0|1,0,0]=3 11561 B18R2.101667 CC[C@H](C)CSc1ccc2[nH]c(=O)ccc2c1 62a_100009816398_100011934725 [0,2,0,0,0,0|1,1,0]=4 11562 B18R2.101667 CC[C@H](C)CSc1ccc2c[n+](ccc2c1)C 62a_100009816398_100015191232 [0,2,0,0,0,0|1,1,0]=4 11563 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100009816398 [0,2,0,0,0,0|0,1,0]=3 11564 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2c1)N 62a_100009816398_100000185457 [0,2,0,0,0,0|0,1,0]=3 11565 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2c1)O 62a_100009816398_100000185455 [0,2,0,0,0,0|0,1,0]=3 11566 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)C 62a_100009816398_100011865911 [0,2,0,0,0,0|1,1,0]=4 11567 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)C 62a_200000181977_100009816398 [0,2,0,0,0,0|1,1,0]=4 11568 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)F 62a_100009816398_100011998705 [0,2,0,0,0,0|1,1,0]=4 11569 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)F 62a_200012355665_100009816398 [0,2,0,0,0,0|1,1,0]=4 11570 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ccc2n1)O 62a_100009816398_100009849208 [0,2,0,0,0,0|1,1,0]=4 11571 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)C 62a_100009816398_100010751441 [0,2,0,0,0,0|1,1,0]=4 11572 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)F 62a_100009816398_100010751466 [0,2,0,0,0,0|1,1,0]=4 11573 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)F 62a_100010751466_100009816398 [0,2,0,0,0,0|1,1,0]=4 11574 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)N 62a_100009816398_100010142226 [0,2,0,0,0,0|1,1,0]=4 11575 B18R2.101667 CC[C@H](C)CSc1ccc2cc(cnc2c1)N 62a_100010142226_100009816398 [0,2,0,0,0,0|1,1,0]=4 11576 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ncc2c1)N 62a_100009816398_100010232990 [0,2,0,0,0,0|1,1,0]=4 11577 B18R2.101667 CC[C@H](C)CSc1ccc2cc(ncc2c1)N 62a_100010232990_100009816398 [0,2,0,0,0,0|1,1,0]=4 11578 B18R2.101667 CC[C@H](C)CSc1ccc2nc(ccc2c1)C 62a_100000686635_100009816398 [0,2,0,0,0,0|1,1,0]=4 11579 B18R2.101667 CC[C@H](C)CSc1ccc2nc(ccc2c1)C 62a_100009816398_100000686635 [0,2,0,0,0,0|1,1,0]=4 11580 B18R2.101667 CC[C@H](C)CSc1ccc2nc(ccc2c1)N 62a_100011934619_100009816398 [0,2,0,0,0,0|1,1,0]=4 11581 B18R2.101667 CC[C@H](C)CSc1ccc2oc(=O)ccc2c1 62a_100009816398_100009999946 [0,2,0,0,0,0|1,1,0]=4 11582 B18R2.101667 CC[C@H](C)CSc1cnc2cc(ccc2c1)N 62a_100009816398_200010264087 [0,2,0,0,0,0|1,1,0]=4 11583 B18R2.101667 CC[C@H](C)CSc1cnc2cc(ccc2c1)N 62a_200010264087_100009816398 [0,2,0,0,0,0|1,1,0]=4 11584 B18R2.101667 CC[C@H](C)CSc1cnc2cc(ccc2c1)O 62a_100009816398_200010153753 [0,2,0,0,0,0|1,1,0]=4 11585 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 11a_106832991635_100000191258 [0,2,0,0,0,0|1,0,1]=4 11586 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 1626a_100102657272_100000191258 [0,2,0,0,0,0|1,0,1]=4 11587 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 240690a_100102657272_100000191258 [0,2,0,0,0,0|1,0,1]=4 11588 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000183359 [0,2,0,0,0,0|1,0,1]=4 11589 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 527a_100102657272_100000191258 [0,2,0,0,0,0|1,0,1]=4 11590 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000183359 [0,2,0,0,0,0|1,0,1]=4 11591 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)C 34a_100000074090_100000183359 [0,2,0,0,0,0|1,0,1]=4 11592 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000183359 [0,2,0,0,0,0|1,0,1]=4 11593 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000183359 [0,2,0,0,0,0|1,0,1]=4 11594 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000183359 [0,2,0,0,0,0|1,0,1]=4 11595 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000183359 [0,2,0,0,0,0|1,0,1]=4 11596 B18R2.101667 CNC(=O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000183359 [0,2,0,0,0,0|1,0,1]=4 11597 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000747449 [0,2,0,0,0,0|1,0,1]=4 11598 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000747449 [0,2,0,0,0,0|1,0,1]=4 11599 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)C 34a_100000074090_100000747449 [0,2,0,0,0,0|1,0,1]=4 11600 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)C 7a_100000074090_100000747449 [0,2,0,0,0,0|1,0,1]=4 11601 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000747449 [0,2,0,0,0,0|1,0,1]=4 11602 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000747449 [0,2,0,0,0,0|1,0,1]=4 11603 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000747449 [0,2,0,0,0,0|1,0,1]=4 11604 B18R2.101667 COC(=O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000747449 [0,2,0,0,0,0|1,0,1]=4 11605 B18R2.101667 C[C@@H](CO)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000059175 [0,2,0,0,0,0|2,0,0]=4 11606 B18R2.101667 C[C@@H](CO)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000059175 [0,2,0,0,0,0|2,0,0]=4 11607 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100000059175 [0,2,0,0,0,0|1,0,0]=3 11608 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100000059175 [0,2,0,0,0,0|1,0,0]=3 11609 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000059175 [0,2,0,0,0,0|1,0,0]=3 11610 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000059175 [0,2,0,0,0,0|1,0,0]=3 11611 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)F 34a_100009847029_100000059175 [0,2,0,0,0,0|1,0,0]=3 11612 B18R2.101667 C[C@@H](CO)COc1ccc2cc(ccc2c1)F 7a_100009847029_100000059175 [0,2,0,0,0,0|1,0,0]=3 11613 B18R2.101667 C[C@@H](CO)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100000059175 [0,2,0,0,0,0|2,0,0]=4 11614 B18R2.101667 C[C@@H](CO)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100000059175 [0,2,0,0,0,0|2,0,0]=4 11615 B18R2.101667 C[C@@H](CO)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000059175 [0,2,0,0,0,0|2,0,0]=4 11616 B18R2.101667 C[C@@H](CO)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000059175 [0,2,0,0,0,0|2,0,0]=4 11617 B18R2.101667 C[C@@H](CO)COc1ccc2oc(=O)ccc2c1 34a_100000066265_100000059175 [0,2,0,0,0,0|2,0,0]=4 11618 B18R2.101667 C[C@@H](CO)COc1ccc2oc(=O)ccc2c1 7a_100000066265_100000059175 [0,2,0,0,0,0|2,0,0]=4 11619 B18R2.101667 C[C@@H](CO)COc1cnc2cc(ccc2c1)F 34a_100012184162_100000059175 [0,2,0,0,0,0|2,0,0]=4 11620 B18R2.101667 C[C@@H](CO)COc1cnc2cc(ccc2c1)F 7a_100012184162_100000059175 [0,2,0,0,0,0|2,0,0]=4 11621 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)Br 62a_100000059175_100012344972 [0,2,0,0,0,0|1,1,0]=4 11622 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000059175 [0,2,0,0,0,0|1,1,0]=4 11623 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)F 62a_100000059175_100009817052 [0,2,0,0,0,0|1,1,0]=4 11624 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100000059175 [0,2,0,0,0,0|1,1,0]=4 11625 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)N 62a_100000059175_100000185457 [0,2,0,0,0,0|1,1,0]=4 11626 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)N 62a_100000185457_100000059175 [0,2,0,0,0,0|1,1,0]=4 11627 B18R2.101667 C[C@@H](CO)CSc1ccc2cc(ccc2c1)O 62a_100000059175_100000185455 [0,2,0,0,0,0|1,1,0]=4 11628 B18R2.101667 Cc1ccc2cc(ccc2c1)OCC(O)CO 34a_100000074090_100011219619 [0,2,0,0,0,0|1,0,0]=3 11629 B18R2.101667 Cc1ccc2cc(ccc2c1)OCC(O)CO 7a_100000074090_100011219619 [0,2,0,0,0,0|1,0,0]=3 11630 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](C)CO 34a_100000074090_100000059175 [0,2,0,0,0,0|1,0,0]=3 11631 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](C)CO 7a_100000074090_100000059175 [0,2,0,0,0,0|1,0,0]=3 11632 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CF 34a_100000074090_100015614560 [0,2,0,0,0,0|1,0,0]=3 11633 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CF 7a_100000074090_100015614560 [0,2,0,0,0,0|1,0,0]=3 11634 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CO 34a_100000074090_100009815848 [0,2,0,0,0,0|1,0,0]=3 11635 B18R2.101667 Cc1ccc2cc(ccc2c1)OC[C@@H](O)CO 7a_100000074090_100009815848 [0,2,0,0,0,0|1,0,0]=3 11636 B18R2.101667 Cc1ccc2cc(ccc2n1)OCC(O)CO 34a_100000037634_100011219619 [0,2,0,0,0,0|2,0,0]=4 11637 B18R2.101667 Cc1ccc2cc(ccc2n1)OCC(O)CO 7a_100000037634_100011219619 [0,2,0,0,0,0|2,0,0]=4 11638 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](C)CO 34a_100000037634_100000059175 [0,2,0,0,0,0|2,0,0]=4 11639 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](C)CO 7a_100000037634_100000059175 [0,2,0,0,0,0|2,0,0]=4 11640 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](O)CF 34a_100000037634_100015614560 [0,2,0,0,0,0|2,0,0]=4 11641 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](O)CF 7a_100000037634_100015614560 [0,2,0,0,0,0|2,0,0]=4 11642 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](O)CO 34a_100000037634_100009815848 [0,2,0,0,0,0|2,0,0]=4 11643 B18R2.101667 Cc1ccc2cc(ccc2n1)OC[C@@H](O)CO 7a_100000037634_100009815848 [0,2,0,0,0,0|2,0,0]=4 11644 B18R2.101667 Nc1ccc2cc(ccc2c1)SCC(O)CO 62a_100000185457_100011219619 [0,2,0,0,0,0|1,1,0]=4 11645 B18R2.101667 Nc1ccc2cc(ccc2c1)SCC(O)CO 62a_100011219619_100000185457 [0,2,0,0,0,0|1,1,0]=4 11646 B18R2.101667 Nc1ccc2cc(ccc2c1)SC[C@@H](O)CF 62a_100000185457_100015614560 [0,2,0,0,0,0|1,1,0]=4 11647 B18R2.101667 Nc1ccc2cc(ccc2c1)SC[C@@H](O)CF 62a_100015614560_100000185457 [0,2,0,0,0,0|1,1,0]=4 11648 B18R2.101667 Nc1ccc2cc(ccc2c1)SC[C@@H](O)CO 62a_100000185457_100009815848 [0,2,0,0,0,0|1,1,0]=4 11649 B18R2.101667 Nc1ccc2cc(ccc2c1)SC[C@@H](O)CO 62a_100009815848_100000185457 [0,2,0,0,0,0|1,1,0]=4 11650 B18R2.101667 O=C(CF)COc1ccc2cc(ccc2c1)Br 1458a_100000191258_100015361967 [0,2,0,0,0,0|1,0,1]=4 11651 B18R2.101667 O=c1ccc2cc(ccc2o1)OCC(O)CO 34a_100000066265_100011219619 [0,2,0,0,0,0|2,0,0]=4 11652 B18R2.101667 O=c1ccc2cc(ccc2o1)OCC(O)CO 7a_100000066265_100011219619 [0,2,0,0,0,0|2,0,0]=4 11653 B18R2.101667 O=c1ccc2cc(ccc2o1)OC[C@@H](O)CF 34a_100000066265_100015614560 [0,2,0,0,0,0|2,0,0]=4 11654 B18R2.101667 O=c1ccc2cc(ccc2o1)OC[C@@H](O)CF 7a_100000066265_100015614560 [0,2,0,0,0,0|2,0,0]=4 11655 B18R2.101667 O=c1ccc2cc(ccc2o1)OC[C@@H](O)CO 34a_100000066265_100009815848 [0,2,0,0,0,0|2,0,0]=4 11656 B18R2.101667 O=c1ccc2cc(ccc2o1)OC[C@@H](O)CO 7a_100000066265_100009815848 [0,2,0,0,0,0|2,0,0]=4 11657 B18R2.101667 OCC(O)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011219619 [0,2,0,0,0,0|2,0,0]=4 11658 B18R2.101667 OCC(O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011219619 [0,2,0,0,0,0|2,0,0]=4 11659 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100011219619 [0,2,0,0,0,0|1,0,0]=3 11660 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100011219619 [0,2,0,0,0,0|1,0,0]=3 11661 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011219619 [0,2,0,0,0,0|1,0,0]=3 11662 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011219619 [0,2,0,0,0,0|1,0,0]=3 11663 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100011219619 [0,2,0,0,0,0|1,0,0]=3 11664 B18R2.101667 OCC(O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100011219619 [0,2,0,0,0,0|1,0,0]=3 11665 B18R2.101667 OCC(O)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100011219619 [0,2,0,0,0,0|2,0,0]=4 11666 B18R2.101667 OCC(O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100011219619 [0,2,0,0,0,0|2,0,0]=4 11667 B18R2.101667 OCC(O)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011219619 [0,2,0,0,0,0|2,0,0]=4 11668 B18R2.101667 OCC(O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011219619 [0,2,0,0,0,0|2,0,0]=4 11669 B18R2.101667 OCC(O)COc1cnc2cc(ccc2c1)F 34a_100012184162_100011219619 [0,2,0,0,0,0|2,0,0]=4 11670 B18R2.101667 OCC(O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100011219619 [0,2,0,0,0,0|2,0,0]=4 11671 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)Br 62a_100011219619_100012344972 [0,2,0,0,0,0|1,1,0]=4 11672 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011219619 [0,2,0,0,0,0|1,1,0]=4 11673 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100011219619 [0,2,0,0,0,0|1,1,0]=4 11674 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)F 62a_100011219619_100009817052 [0,2,0,0,0,0|1,1,0]=4 11675 B18R2.101667 OCC(O)CSc1ccc2cc(ccc2c1)O 62a_100011219619_100000185455 [0,2,0,0,0,0|1,1,0]=4 11676 B18R2.101667 OC[C@H](O)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100009815848 [0,2,0,0,0,0|2,0,0]=4 11677 B18R2.101667 OC[C@H](O)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100009815848 [0,2,0,0,0,0|2,0,0]=4 11678 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100009815848 [0,2,0,0,0,0|1,0,0]=3 11679 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100009815848 [0,2,0,0,0,0|1,0,0]=3 11680 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009815848 [0,2,0,0,0,0|1,0,0]=3 11681 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100009815848 [0,2,0,0,0,0|1,0,0]=3 11682 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)F 34a_100009847029_100009815848 [0,2,0,0,0,0|1,0,0]=3 11683 B18R2.101667 OC[C@H](O)COc1ccc2cc(ccc2c1)F 7a_100009847029_100009815848 [0,2,0,0,0,0|1,0,0]=3 11684 B18R2.101667 OC[C@H](O)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100009815848 [0,2,0,0,0,0|2,0,0]=4 11685 B18R2.101667 OC[C@H](O)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100009815848 [0,2,0,0,0,0|2,0,0]=4 11686 B18R2.101667 OC[C@H](O)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100009815848 [0,2,0,0,0,0|2,0,0]=4 11687 B18R2.101667 OC[C@H](O)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100009815848 [0,2,0,0,0,0|2,0,0]=4 11688 B18R2.101667 OC[C@H](O)COc1cnc2cc(ccc2c1)F 34a_100012184162_100009815848 [0,2,0,0,0,0|2,0,0]=4 11689 B18R2.101667 OC[C@H](O)COc1cnc2cc(ccc2c1)F 7a_100012184162_100009815848 [0,2,0,0,0,0|2,0,0]=4 11690 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)Br 62a_100009815848_100012344972 [0,2,0,0,0,0|1,1,0]=4 11691 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100009815848 [0,2,0,0,0,0|1,1,0]=4 11692 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)F 62a_100009815848_100009817052 [0,2,0,0,0,0|1,1,0]=4 11693 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100009815848 [0,2,0,0,0,0|1,1,0]=4 11694 B18R2.101667 OC[C@H](O)CSc1ccc2cc(ccc2c1)O 62a_100009815848_100000185455 [0,2,0,0,0,0|1,1,0]=4 11695 B18R2.101667 O[C@@H](CF)CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100015614560 [0,2,0,0,0,0|2,0,0]=4 11696 B18R2.101667 O[C@@H](CF)CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100015614560 [0,2,0,0,0,0|2,0,0]=4 11697 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)Br 34a_100000185455_100015614560 [0,2,0,0,0,0|1,0,0]=3 11698 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)Br 7a_100000185455_100015614560 [0,2,0,0,0,0|1,0,0]=3 11699 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015614560 [0,2,0,0,0,0|1,0,0]=3 11700 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015614560 [0,2,0,0,0,0|1,0,0]=3 11701 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)F 34a_100009847029_100015614560 [0,2,0,0,0,0|1,0,0]=3 11702 B18R2.101667 O[C@@H](CF)COc1ccc2cc(ccc2c1)F 7a_100009847029_100015614560 [0,2,0,0,0,0|1,0,0]=3 11703 B18R2.101667 O[C@@H](CF)COc1ccc2cc(cnc2c1)Br 34a_200010153753_100015614560 [0,2,0,0,0,0|2,0,0]=4 11704 B18R2.101667 O[C@@H](CF)COc1ccc2cc(cnc2c1)Br 7a_200010153753_100015614560 [0,2,0,0,0,0|2,0,0]=4 11705 B18R2.101667 O[C@@H](CF)COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100015614560 [0,2,0,0,0,0|2,0,0]=4 11706 B18R2.101667 O[C@@H](CF)COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100015614560 [0,2,0,0,0,0|2,0,0]=4 11707 B18R2.101667 O[C@@H](CF)COc1cnc2cc(ccc2c1)F 34a_100012184162_100015614560 [0,2,0,0,0,0|2,0,0]=4 11708 B18R2.101667 O[C@@H](CF)COc1cnc2cc(ccc2c1)F 7a_100012184162_100015614560 [0,2,0,0,0,0|2,0,0]=4 11709 B18R2.101667 O[C@@H](CF)CSc1ccc2cc(ccc2c1)Br 62a_100012344972_100015614560 [0,2,0,0,0,0|1,1,0]=4 11710 B18R2.101667 O[C@@H](CF)CSc1ccc2cc(ccc2c1)Br 62a_100015614560_100012344972 [0,2,0,0,0,0|1,1,0]=4 11711 B18R2.101667 O[C@@H](CF)CSc1ccc2cc(ccc2c1)F 62a_100009817052_100015614560 [0,2,0,0,0,0|1,1,0]=4 11712 B18R2.101667 O[C@@H](CF)CSc1ccc2cc(ccc2c1)F 62a_100015614560_100009817052 [0,2,0,0,0,0|1,1,0]=4 11713 B18R2.101667 Oc1ccc2cc(ccc2c1)SC[C@@H](O)CF 62a_100015614560_100000185455 [0,2,0,0,0,0|1,1,0]=4 11714 B18R2.697339 C=CC(O)COc1ccc2c(cccc2c1)N 34a_100000034668_100000730141 [0,2,0,0,0,0|0,0,2]=4 11715 B18R2.697339 C=CC(O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000730141 [0,2,0,0,0,0|0,0,2]=4 11716 B18R2.697339 CCC(=O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000747405 [0,2,0,0,0,0|1,0,1]=4 11717 B18R2.697339 CCC(=O)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000747405 [0,2,0,0,0,0|1,0,1]=4 11718 B18R2.697339 CCC(=O)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000747405 [0,2,0,0,0,0|1,0,1]=4 11719 B18R2.697339 CCC(=O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000747405 [0,2,0,0,0,0|0,0,1]=3 11720 B18R2.697339 CCC(=O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000747405 [0,2,0,0,0,0|1,0,1]=4 11721 B18R2.697339 CCC(=O)COc1ccc2c(ccnc2c1)C 7a_200009854145_100000747405 [0,2,0,0,0,0|1,0,1]=4 11722 B18R2.697339 CCC(=O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000747405 [0,2,0,0,0,0|1,0,1]=4 11723 B18R2.697339 CCC(=O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000747405 [0,2,0,0,0,0|1,0,1]=4 11724 B18R2.697339 CCC(=O)COc1cnc2c(cccc2c1)F 7a_100012184956_100000747405 [0,2,0,0,0,0|1,0,1]=4 11725 B18R2.697339 CCC(=O)CSc1ccc2c(cccc2c1)N 62a_100000747405_100010090037 [0,2,0,0,0,0|0,1,1]=4 11726 B18R2.697339 CCC(=O)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000747405 [0,2,0,0,0,0|0,1,1]=4 11727 B18R2.697339 CCC(=O)CSc1ccc2c(cccc2c1)O 62a_100000747405_100010202202 [0,2,0,0,0,0|0,1,1]=4 11728 B18R2.697339 CCC(C)CNc1ccc2c(cccc2c1)O 34a_100000035793_100000748023 [0,2,0,0,0,0|1,0,0]=3 11729 B18R2.697339 CCC(C)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000748023 [0,2,0,0,0,0|1,0,0]=3 11730 B18R2.697339 CCC(C)CNc1ccc2c(ccnc2c1)Cl 27a_100020588543_100009996786 [0,2,0,0,0,0|2,0,0]=4 11731 B18R2.697339 CCC(C)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000748023 [0,2,0,0,0,0|1,0,0]=3 11732 B18R2.697339 CCC(C)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000748023 [0,2,0,0,0,0|1,0,0]=3 11733 B18R2.697339 CCC(C)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100000748023 [0,2,0,0,0,0|1,0,0]=3 11734 B18R2.697339 CCC(C)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000748023 [0,2,0,0,0,0|1,0,0]=3 11735 B18R2.697339 CCC(C)COc1ccc2c(cccc2c1)N 34a_100000034668_100000748023 [0,2,0,0,0,0|0,0,0]=2 11736 B18R2.697339 CCC(C)COc1ccc2c(cccc2c1)N 7a_100000034668_100000748023 [0,2,0,0,0,0|0,0,0]=2 11737 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100000748023 [0,2,0,0,0,0|1,0,0]=3 11738 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000748023 [0,2,0,0,0,0|1,0,0]=3 11739 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)C 34a_200009854145_100000748023 [0,2,0,0,0,0|1,0,0]=3 11740 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)C 7a_200009854145_100000748023 [0,2,0,0,0,0|1,0,0]=3 11741 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000748023 [0,2,0,0,0,0|1,0,0]=3 11742 B18R2.697339 CCC(C)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000748023 [0,2,0,0,0,0|1,0,0]=3 11743 B18R2.697339 CCC(C)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100000748023 [0,2,0,0,0,0|1,0,0]=3 11744 B18R2.697339 CCC(C)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000748023 [0,2,0,0,0,0|1,0,0]=3 11745 B18R2.697339 CCC(C)COc1cnc2c(cccc2c1)F 34a_100012184956_100000748023 [0,2,0,0,0,0|1,0,0]=3 11746 B18R2.697339 CCC(C)COc1cnc2c(cccc2c1)F 7a_100012184956_100000748023 [0,2,0,0,0,0|1,0,0]=3 11747 B18R2.697339 CCC(C)CSc1ccc2c(=O)ccoc2c1 62a_100000748023_100010062221 [0,2,0,0,0,0|1,1,0]=4 11748 B18R2.697339 CCC(C)CSc1ccc2c(cccc2c1)N 62a_100000748023_100010090037 [0,2,0,0,0,0|0,1,0]=3 11749 B18R2.697339 CCC(C)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000748023 [0,2,0,0,0,0|0,1,0]=3 11750 B18R2.697339 CCC(C)CSc1ccc2c(cccc2c1)O 62a_100000748023_100010202202 [0,2,0,0,0,0|0,1,0]=3 11751 B18R2.697339 CCC(C)CSc1ccc2c(ccnc2c1)C 62a_100000748023_100010132309 [0,2,0,0,0,0|1,1,0]=4 11752 B18R2.697339 CCC(C)CSc1ccc2c(ccnc2c1)C 62a_100010132309_100000748023 [0,2,0,0,0,0|1,1,0]=4 11753 B18R2.697339 CCC(C)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100000748023 [0,2,0,0,0,0|1,1,0]=4 11754 B18R2.697339 CCC(C)CSc1ccc2c(ccnc2c1)O 62a_100000748023_100000756855 [0,2,0,0,0,0|1,1,0]=4 11755 B18R2.697339 CCC(C)CSc1ccc2c(nccc2c1)N 62a_100000732483_100000748023 [0,2,0,0,0,0|1,1,0]=4 11756 B18R2.697339 CCC(C)CSc1ccc2c(nccc2c1)N 62a_100000748023_100000732483 [0,2,0,0,0,0|1,1,0]=4 11757 B18R2.697339 CCC(C)CSc1ccc2c(nccc2c1)O 62a_100000748023_100000760485 [0,2,0,0,0,0|1,1,0]=4 11758 B18R2.697339 CCC(C)CSc1cnc2c(cccc2c1)C 62a_100000748023_100009829671 [0,2,0,0,0,0|1,1,0]=4 11759 B18R2.697339 CCC(C)CSc1cnc2c(cccc2c1)F 62a_100000049890_100000748023 [0,2,0,0,0,0|1,1,0]=4 11760 B18R2.697339 CCC(C)CSc1cnc2c(cccc2c1)F 62a_100000748023_100000049890 [0,2,0,0,0,0|1,1,0]=4 11761 B18R2.697339 CCC(C)CSc1cnc2c(cccc2c1)N 62a_100000748023_100000702407 [0,2,0,0,0,0|1,1,0]=4 11762 B18R2.697339 CCC(O)CNc1ccc2c(cccc2c1)O 34a_100000035793_100011218378 [0,2,0,0,0,0|1,0,0]=3 11763 B18R2.697339 CCC(O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100011218378 [0,2,0,0,0,0|1,0,0]=3 11764 B18R2.697339 CCC(O)CNc1ccc2c(ccnc2c1)Cl 27a_100011218483_100009996786 [0,2,0,0,0,0|2,0,0]=4 11765 B18R2.697339 CCC(O)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100011218378 [0,2,0,0,0,0|1,0,0]=3 11766 B18R2.697339 CCC(O)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100011218378 [0,2,0,0,0,0|1,0,0]=3 11767 B18R2.697339 CCC(O)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100011218378 [0,2,0,0,0,0|1,0,0]=3 11768 B18R2.697339 CCC(O)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100011218378 [0,2,0,0,0,0|1,0,0]=3 11769 B18R2.697339 CCC(O)COc1ccc2c(cccc2c1)N 34a_100000034668_100011218378 [0,2,0,0,0,0|0,0,0]=2 11770 B18R2.697339 CCC(O)COc1ccc2c(cccc2c1)N 7a_100000034668_100011218378 [0,2,0,0,0,0|0,0,0]=2 11771 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100011218378 [0,2,0,0,0,0|1,0,0]=3 11772 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100011218378 [0,2,0,0,0,0|1,0,0]=3 11773 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)C 34a_200009854145_100011218378 [0,2,0,0,0,0|1,0,0]=3 11774 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)C 7a_200009854145_100011218378 [0,2,0,0,0,0|1,0,0]=3 11775 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011218378 [0,2,0,0,0,0|1,0,0]=3 11776 B18R2.697339 CCC(O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011218378 [0,2,0,0,0,0|1,0,0]=3 11777 B18R2.697339 CCC(O)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100011218378 [0,2,0,0,0,0|1,0,0]=3 11778 B18R2.697339 CCC(O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100011218378 [0,2,0,0,0,0|1,0,0]=3 11779 B18R2.697339 CCC(O)COc1cnc2c(cccc2c1)F 34a_100012184956_100011218378 [0,2,0,0,0,0|1,0,0]=3 11780 B18R2.697339 CCC(O)COc1cnc2c(cccc2c1)F 7a_100012184956_100011218378 [0,2,0,0,0,0|1,0,0]=3 11781 B18R2.697339 CCC(O)CSc1ccc2c(=O)ccoc2c1 62a_100011218378_100010062221 [0,2,0,0,0,0|1,1,0]=4 11782 B18R2.697339 CCC(O)CSc1ccc2c(cccc2c1)N 62a_100010090037_100011218378 [0,2,0,0,0,0|0,1,0]=3 11783 B18R2.697339 CCC(O)CSc1ccc2c(cccc2c1)N 62a_100011218378_100010090037 [0,2,0,0,0,0|0,1,0]=3 11784 B18R2.697339 CCC(O)CSc1ccc2c(cccc2c1)O 62a_100011218378_100010202202 [0,2,0,0,0,0|0,1,0]=3 11785 B18R2.697339 CCC(O)CSc1ccc2c(ccnc2c1)C 62a_100010132309_100011218378 [0,2,0,0,0,0|1,1,0]=4 11786 B18R2.697339 CCC(O)CSc1ccc2c(ccnc2c1)C 62a_100011218378_100010132309 [0,2,0,0,0,0|1,1,0]=4 11787 B18R2.697339 CCC(O)CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100011218378 [0,2,0,0,0,0|1,1,0]=4 11788 B18R2.697339 CCC(O)CSc1ccc2c(ccnc2c1)Cl 62a_100011218378_100009996786 [0,2,0,0,0,0|1,1,0]=4 11789 B18R2.697339 CCC(O)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100011218378 [0,2,0,0,0,0|1,1,0]=4 11790 B18R2.697339 CCC(O)CSc1ccc2c(ccnc2c1)O 62a_100011218378_100000756855 [0,2,0,0,0,0|1,1,0]=4 11791 B18R2.697339 CCC(O)CSc1ccc2c(nccc2c1)N 62a_100000732483_100011218378 [0,2,0,0,0,0|1,1,0]=4 11792 B18R2.697339 CCC(O)CSc1ccc2c(nccc2c1)N 62a_100011218378_100000732483 [0,2,0,0,0,0|1,1,0]=4 11793 B18R2.697339 CCC(O)CSc1ccc2c(nccc2c1)O 62a_100011218378_100000760485 [0,2,0,0,0,0|1,1,0]=4 11794 B18R2.697339 CCC(O)CSc1cnc2c(cccc2c1)Br 62a_100010204298_100011218378 [0,2,0,0,0,0|1,1,0]=4 11795 B18R2.697339 CCC(O)CSc1cnc2c(cccc2c1)Br 62a_100011218378_100010204298 [0,2,0,0,0,0|1,1,0]=4 11796 B18R2.697339 CCC(O)CSc1cnc2c(cccc2c1)C 62a_100011218378_100009829671 [0,2,0,0,0,0|1,1,0]=4 11797 B18R2.697339 CCC(O)CSc1cnc2c(cccc2c1)Cl 62a_100011218378_100000759377 [0,2,0,0,0,0|1,1,0]=4 11798 B18R2.697339 CCC(O)CSc1cnc2c(cccc2c1)F 62a_100000049890_100011218378 [0,2,0,0,0,0|1,1,0]=4 11799 B18R2.697339 CCC(O)CSc1cnc2c(cccc2c1)F 62a_100011218378_100000049890 [0,2,0,0,0,0|1,1,0]=4 11800 B18R2.697339 CCC(O)CSc1cnc2c(cccc2c1)N 62a_100011218378_100000702407 [0,2,0,0,0,0|1,1,0]=4 11801 B18R2.697339 CC[C@H](C)CNc1ccc2c(cccc2c1)O 34a_100000035793_100009816398 [0,2,0,0,0,0|1,0,0]=3 11802 B18R2.697339 CC[C@H](C)CNc1ccc2c(cccc2c1)O 7a_100000035793_100009816398 [0,2,0,0,0,0|1,0,0]=3 11803 B18R2.697339 CC[C@H](C)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100009816398 [0,2,0,0,0,0|1,0,0]=3 11804 B18R2.697339 CC[C@H](C)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100009816398 [0,2,0,0,0,0|1,0,0]=3 11805 B18R2.697339 CC[C@H](C)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100009816398 [0,2,0,0,0,0|1,0,0]=3 11806 B18R2.697339 CC[C@H](C)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100009816398 [0,2,0,0,0,0|1,0,0]=3 11807 B18R2.697339 CC[C@H](C)COc1ccc2c(cccc2c1)N 34a_100000034668_100009816398 [0,2,0,0,0,0|0,0,0]=2 11808 B18R2.697339 CC[C@H](C)COc1ccc2c(cccc2c1)N 7a_100000034668_100009816398 [0,2,0,0,0,0|0,0,0]=2 11809 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100009816398 [0,2,0,0,0,0|1,0,0]=3 11810 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100009816398 [0,2,0,0,0,0|1,0,0]=3 11811 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)C 34a_200009854145_100009816398 [0,2,0,0,0,0|1,0,0]=3 11812 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)C 7a_200009854145_100009816398 [0,2,0,0,0,0|1,0,0]=3 11813 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100009816398 [0,2,0,0,0,0|1,0,0]=3 11814 B18R2.697339 CC[C@H](C)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100009816398 [0,2,0,0,0,0|1,0,0]=3 11815 B18R2.697339 CC[C@H](C)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100009816398 [0,2,0,0,0,0|1,0,0]=3 11816 B18R2.697339 CC[C@H](C)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100009816398 [0,2,0,0,0,0|1,0,0]=3 11817 B18R2.697339 CC[C@H](C)COc1cnc2c(cccc2c1)F 34a_100012184956_100009816398 [0,2,0,0,0,0|1,0,0]=3 11818 B18R2.697339 CC[C@H](C)COc1cnc2c(cccc2c1)F 7a_100012184956_100009816398 [0,2,0,0,0,0|1,0,0]=3 11819 B18R2.697339 CC[C@H](C)CSc1ccc2c(=O)ccoc2c1 62a_100009816398_100010062221 [0,2,0,0,0,0|1,1,0]=4 11820 B18R2.697339 CC[C@H](C)CSc1ccc2c(cccc2c1)N 62a_100009816398_100010090037 [0,2,0,0,0,0|0,1,0]=3 11821 B18R2.697339 CC[C@H](C)CSc1ccc2c(cccc2c1)N 62a_100010090037_100009816398 [0,2,0,0,0,0|0,1,0]=3 11822 B18R2.697339 CC[C@H](C)CSc1ccc2c(cccc2c1)O 62a_100009816398_100010202202 [0,2,0,0,0,0|0,1,0]=3 11823 B18R2.697339 CC[C@H](C)CSc1ccc2c(ccnc2c1)C 62a_100009816398_100010132309 [0,2,0,0,0,0|1,1,0]=4 11824 B18R2.697339 CC[C@H](C)CSc1ccc2c(ccnc2c1)C 62a_100010132309_100009816398 [0,2,0,0,0,0|1,1,0]=4 11825 B18R2.697339 CC[C@H](C)CSc1ccc2c(ccnc2c1)N 62a_200009816820_100009816398 [0,2,0,0,0,0|1,1,0]=4 11826 B18R2.697339 CC[C@H](C)CSc1ccc2c(ccnc2c1)O 62a_100009816398_100000756855 [0,2,0,0,0,0|1,1,0]=4 11827 B18R2.697339 CC[C@H](C)CSc1ccc2c(nccc2c1)N 62a_100000732483_100009816398 [0,2,0,0,0,0|1,1,0]=4 11828 B18R2.697339 CC[C@H](C)CSc1ccc2c(nccc2c1)N 62a_100009816398_100000732483 [0,2,0,0,0,0|1,1,0]=4 11829 B18R2.697339 CC[C@H](C)CSc1ccc2c(nccc2c1)O 62a_100009816398_100000760485 [0,2,0,0,0,0|1,1,0]=4 11830 B18R2.697339 CC[C@H](C)CSc1cnc2c(cccc2c1)C 62a_100009816398_100009829671 [0,2,0,0,0,0|1,1,0]=4 11831 B18R2.697339 CC[C@H](C)CSc1cnc2c(cccc2c1)F 62a_100000049890_100009816398 [0,2,0,0,0,0|1,1,0]=4 11832 B18R2.697339 CC[C@H](C)CSc1cnc2c(cccc2c1)F 62a_100009816398_100000049890 [0,2,0,0,0,0|1,1,0]=4 11833 B18R2.697339 CC[C@H](C)CSc1cnc2c(cccc2c1)N 62a_100009816398_100000702407 [0,2,0,0,0,0|1,1,0]=4 11834 B18R2.697339 CNC(=O)COc1ccc2c(cccc2c1)N 34a_100000034668_100000183359 [0,2,0,0,0,0|1,0,1]=4 11835 B18R2.697339 CNC(=O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000183359 [0,2,0,0,0,0|1,0,1]=4 11836 B18R2.697339 COC(=O)COc1ccc2c(cccc2c1)N 34a_100000034668_100000747449 [0,2,0,0,0,0|1,0,1]=4 11837 B18R2.697339 COC(=O)COc1ccc2c(cccc2c1)N 7a_100000034668_100000747449 [0,2,0,0,0,0|1,0,1]=4 11838 B18R2.697339 C[C@@H](CO)CNc1ccc2c(cccc2c1)O 34a_100000035793_100000059175 [0,2,0,0,0,0|2,0,0]=4 11839 B18R2.697339 C[C@@H](CO)CNc1ccc2c(cccc2c1)O 7a_100000035793_100000059175 [0,2,0,0,0,0|2,0,0]=4 11840 B18R2.697339 C[C@@H](CO)COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000059175 [0,2,0,0,0,0|2,0,0]=4 11841 B18R2.697339 C[C@@H](CO)COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000059175 [0,2,0,0,0,0|2,0,0]=4 11842 B18R2.697339 C[C@@H](CO)COc1ccc2c(=O)ccoc2c1 34a_200000065989_100000059175 [0,2,0,0,0,0|2,0,0]=4 11843 B18R2.697339 C[C@@H](CO)COc1ccc2c(=O)ccoc2c1 7a_200000065989_100000059175 [0,2,0,0,0,0|2,0,0]=4 11844 B18R2.697339 C[C@@H](CO)COc1ccc2c(cccc2c1)N 34a_100000034668_100000059175 [0,2,0,0,0,0|1,0,0]=3 11845 B18R2.697339 C[C@@H](CO)COc1ccc2c(cccc2c1)N 7a_100000034668_100000059175 [0,2,0,0,0,0|1,0,0]=3 11846 B18R2.697339 C[C@@H](CO)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100000059175 [0,2,0,0,0,0|2,0,0]=4 11847 B18R2.697339 C[C@@H](CO)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100000059175 [0,2,0,0,0,0|2,0,0]=4 11848 B18R2.697339 C[C@@H](CO)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000059175 [0,2,0,0,0,0|2,0,0]=4 11849 B18R2.697339 C[C@@H](CO)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000059175 [0,2,0,0,0,0|2,0,0]=4 11850 B18R2.697339 C[C@@H](CO)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100000059175 [0,2,0,0,0,0|2,0,0]=4 11851 B18R2.697339 C[C@@H](CO)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100000059175 [0,2,0,0,0,0|2,0,0]=4 11852 B18R2.697339 C[C@@H](CO)COc1cnc2c(cccc2c1)F 34a_100012184956_100000059175 [0,2,0,0,0,0|2,0,0]=4 11853 B18R2.697339 C[C@@H](CO)COc1cnc2c(cccc2c1)F 7a_100012184956_100000059175 [0,2,0,0,0,0|2,0,0]=4 11854 B18R2.697339 C[C@@H](CO)CSc1ccc2c(cccc2c1)N 62a_100000059175_100010090037 [0,2,0,0,0,0|1,1,0]=4 11855 B18R2.697339 C[C@@H](CO)CSc1ccc2c(cccc2c1)N 62a_100010090037_100000059175 [0,2,0,0,0,0|1,1,0]=4 11856 B18R2.697339 C[C@@H](CO)CSc1ccc2c(cccc2c1)O 62a_100000059175_100010202202 [0,2,0,0,0,0|1,1,0]=4 11857 B18R2.697339 Cc1ccnc2c1ccc(c2)OCC(O)CO 34a_200009854145_100011219619 [0,2,0,0,0,0|2,0,0]=4 11858 B18R2.697339 Cc1ccnc2c1ccc(c2)OCC(O)CO 7a_200009854145_100011219619 [0,2,0,0,0,0|2,0,0]=4 11859 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](C)CO 34a_200009854145_100000059175 [0,2,0,0,0,0|2,0,0]=4 11860 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](C)CO 7a_200009854145_100000059175 [0,2,0,0,0,0|2,0,0]=4 11861 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](O)CF 34a_200009854145_100015614560 [0,2,0,0,0,0|2,0,0]=4 11862 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](O)CF 7a_200009854145_100015614560 [0,2,0,0,0,0|2,0,0]=4 11863 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](O)CO 34a_200009854145_100009815848 [0,2,0,0,0,0|2,0,0]=4 11864 B18R2.697339 Cc1ccnc2c1ccc(c2)OC[C@@H](O)CO 7a_200009854145_100009815848 [0,2,0,0,0,0|2,0,0]=4 11865 B18R2.697339 Nc1cccc2c1ccc(c2)OCC(O)CO 34a_100000034668_100011219619 [0,2,0,0,0,0|1,0,0]=3 11866 B18R2.697339 Nc1cccc2c1ccc(c2)OCC(O)CO 7a_100000034668_100011219619 [0,2,0,0,0,0|1,0,0]=3 11867 B18R2.697339 Nc1cccc2c1ccc(c2)OC[C@@H](O)CF 34a_100000034668_100015614560 [0,2,0,0,0,0|1,0,0]=3 11868 B18R2.697339 Nc1cccc2c1ccc(c2)OC[C@@H](O)CF 7a_100000034668_100015614560 [0,2,0,0,0,0|1,0,0]=3 11869 B18R2.697339 Nc1cccc2c1ccc(c2)OC[C@@H](O)CO 34a_100000034668_100009815848 [0,2,0,0,0,0|1,0,0]=3 11870 B18R2.697339 Nc1cccc2c1ccc(c2)OC[C@@H](O)CO 7a_100000034668_100009815848 [0,2,0,0,0,0|1,0,0]=3 11871 B18R2.697339 Nc1cccc2c1ccc(c2)SCC(O)CO 62a_100010090037_100011219619 [0,2,0,0,0,0|1,1,0]=4 11872 B18R2.697339 Nc1cccc2c1ccc(c2)SCC(O)CO 62a_100011219619_100010090037 [0,2,0,0,0,0|1,1,0]=4 11873 B18R2.697339 Nc1cccc2c1ccc(c2)SC[C@@H](O)CF 62a_100010090037_100015614560 [0,2,0,0,0,0|1,1,0]=4 11874 B18R2.697339 Nc1cccc2c1ccc(c2)SC[C@@H](O)CF 62a_100015614560_100010090037 [0,2,0,0,0,0|1,1,0]=4 11875 B18R2.697339 Nc1cccc2c1ccc(c2)SC[C@@H](O)CO 62a_100009815848_100010090037 [0,2,0,0,0,0|1,1,0]=4 11876 B18R2.697339 Nc1cccc2c1ccc(c2)SC[C@@H](O)CO 62a_100010090037_100009815848 [0,2,0,0,0,0|1,1,0]=4 11877 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OCC(O)CO 34a_100009857879_100011219619 [0,2,0,0,0,0|2,0,0]=4 11878 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OCC(O)CO 7a_100009857879_100011219619 [0,2,0,0,0,0|2,0,0]=4 11879 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OC[C@@H](O)CF 34a_100009857879_100015614560 [0,2,0,0,0,0|2,0,0]=4 11880 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OC[C@@H](O)CF 7a_100009857879_100015614560 [0,2,0,0,0,0|2,0,0]=4 11881 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OC[C@@H](O)CO 34a_100009857879_100009815848 [0,2,0,0,0,0|2,0,0]=4 11882 B18R2.697339 O=c1[nH]ccc2c1ccc(c2)OC[C@@H](O)CO 7a_100009857879_100009815848 [0,2,0,0,0,0|2,0,0]=4 11883 B18R2.697339 O=c1ccoc2c1ccc(c2)OCC(O)CO 34a_200000065989_100011219619 [0,2,0,0,0,0|2,0,0]=4 11884 B18R2.697339 O=c1ccoc2c1ccc(c2)OCC(O)CO 7a_200000065989_100011219619 [0,2,0,0,0,0|2,0,0]=4 11885 B18R2.697339 O=c1ccoc2c1ccc(c2)OC[C@@H](O)CF 34a_200000065989_100015614560 [0,2,0,0,0,0|2,0,0]=4 11886 B18R2.697339 O=c1ccoc2c1ccc(c2)OC[C@@H](O)CF 7a_200000065989_100015614560 [0,2,0,0,0,0|2,0,0]=4 11887 B18R2.697339 O=c1ccoc2c1ccc(c2)OC[C@@H](O)CO 34a_200000065989_100009815848 [0,2,0,0,0,0|2,0,0]=4 11888 B18R2.697339 O=c1ccoc2c1ccc(c2)OC[C@@H](O)CO 7a_200000065989_100009815848 [0,2,0,0,0,0|2,0,0]=4 11889 B18R2.697339 OCC(O)CNc1ccc2c(cccc2c1)O 34a_100000035793_100011219619 [0,2,0,0,0,0|2,0,0]=4 11890 B18R2.697339 OCC(O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100011219619 [0,2,0,0,0,0|2,0,0]=4 11891 B18R2.697339 OCC(O)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100011219619 [0,2,0,0,0,0|2,0,0]=4 11892 B18R2.697339 OCC(O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100011219619 [0,2,0,0,0,0|2,0,0]=4 11893 B18R2.697339 OCC(O)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011219619 [0,2,0,0,0,0|2,0,0]=4 11894 B18R2.697339 OCC(O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011219619 [0,2,0,0,0,0|2,0,0]=4 11895 B18R2.697339 OCC(O)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100011219619 [0,2,0,0,0,0|2,0,0]=4 11896 B18R2.697339 OCC(O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100011219619 [0,2,0,0,0,0|2,0,0]=4 11897 B18R2.697339 OCC(O)COc1cnc2c(cccc2c1)F 34a_100012184956_100011219619 [0,2,0,0,0,0|2,0,0]=4 11898 B18R2.697339 OCC(O)COc1cnc2c(cccc2c1)F 7a_100012184956_100011219619 [0,2,0,0,0,0|2,0,0]=4 11899 B18R2.697339 OCC(O)CSc1ccc2c(cccc2c1)O 62a_100011219619_100010202202 [0,2,0,0,0,0|1,1,0]=4 11900 B18R2.697339 OC[C@H](O)CNc1ccc2c(cccc2c1)O 34a_100000035793_100009815848 [0,2,0,0,0,0|2,0,0]=4 11901 B18R2.697339 OC[C@H](O)CNc1ccc2c(cccc2c1)O 7a_100000035793_100009815848 [0,2,0,0,0,0|2,0,0]=4 11902 B18R2.697339 OC[C@H](O)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100009815848 [0,2,0,0,0,0|2,0,0]=4 11903 B18R2.697339 OC[C@H](O)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100009815848 [0,2,0,0,0,0|2,0,0]=4 11904 B18R2.697339 OC[C@H](O)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100009815848 [0,2,0,0,0,0|2,0,0]=4 11905 B18R2.697339 OC[C@H](O)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100009815848 [0,2,0,0,0,0|2,0,0]=4 11906 B18R2.697339 OC[C@H](O)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100009815848 [0,2,0,0,0,0|2,0,0]=4 11907 B18R2.697339 OC[C@H](O)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100009815848 [0,2,0,0,0,0|2,0,0]=4 11908 B18R2.697339 OC[C@H](O)COc1cnc2c(cccc2c1)F 34a_100012184956_100009815848 [0,2,0,0,0,0|2,0,0]=4 11909 B18R2.697339 OC[C@H](O)COc1cnc2c(cccc2c1)F 7a_100012184956_100009815848 [0,2,0,0,0,0|2,0,0]=4 11910 B18R2.697339 OC[C@H](O)CSc1ccc2c(cccc2c1)O 62a_100009815848_100010202202 [0,2,0,0,0,0|1,1,0]=4 11911 B18R2.697339 O[C@@H](CF)COc1ccc2c(ccnc2c1)Br 34a_100010204257_100015614560 [0,2,0,0,0,0|2,0,0]=4 11912 B18R2.697339 O[C@@H](CF)COc1ccc2c(ccnc2c1)Br 7a_100010204257_100015614560 [0,2,0,0,0,0|2,0,0]=4 11913 B18R2.697339 O[C@@H](CF)COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100015614560 [0,2,0,0,0,0|2,0,0]=4 11914 B18R2.697339 O[C@@H](CF)COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100015614560 [0,2,0,0,0,0|2,0,0]=4 11915 B18R2.697339 O[C@@H](CF)COc1ccc2c(nccc2c1)Cl 34a_100009867704_100015614560 [0,2,0,0,0,0|2,0,0]=4 11916 B18R2.697339 O[C@@H](CF)COc1ccc2c(nccc2c1)Cl 7a_100009867704_100015614560 [0,2,0,0,0,0|2,0,0]=4 11917 B18R2.697339 O[C@@H](CF)COc1cnc2c(cccc2c1)F 34a_100012184956_100015614560 [0,2,0,0,0,0|2,0,0]=4 11918 B18R2.697339 O[C@@H](CF)COc1cnc2c(cccc2c1)F 7a_100012184956_100015614560 [0,2,0,0,0,0|2,0,0]=4 11919 B18R2.697339 Oc1cccc2c1ccc(c2)NC[C@@H](O)CF 34a_100000035793_100015614560 [0,2,0,0,0,0|2,0,0]=4 11920 B18R2.697339 Oc1cccc2c1ccc(c2)NC[C@@H](O)CF 7a_100000035793_100015614560 [0,2,0,0,0,0|2,0,0]=4 11921 B18R2.697339 Oc1cccc2c1ccc(c2)SC[C@@H](O)CF 62a_100015614560_100010202202 [0,2,0,0,0,0|1,1,0]=4 11922 B18R2.1923 CCCCC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100000210211 [0,2,0,0,0,0|1,0,0]=3 11923 B18R2.1923 CCCCC(=O)c1ccc2ncc(cc2c1)Br 1458a_100010130286_100000210211 [0,2,0,0,0,0|2,0,0]=4 11924 B18R2.1923 CCCNC(=O)c1ccc2ccc(cc2c1)Br 11a_100020643023_200010152650 [0,2,0,0,0,0|2,0,0]=4 11925 B18R2.1923 CCCNC(=O)c1ccc2ccc(cc2c1)Br 1626a_100020643023_200010152650 [0,2,0,0,0,0|2,0,0]=4 11926 B18R2.1923 CCCNC(=O)c1ccc2ccc(cc2c1)Br 240690a_100020643023_200010152650 [0,2,0,0,0,0|2,0,0]=4 11927 B18R2.1923 CCCNC(=O)c1ccc2ccc(cc2c1)Br 527a_100020643023_200010152650 [0,2,0,0,0,0|2,0,0]=4 11928 B18R2.1923 CCCNC(=O)c1ccc2ccc(cc2c1)O 240690a_100020643023_100009860967 [0,2,0,0,0,0|2,0,0]=4 11929 B18R2.1923 COCCC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100000233755 [0,2,0,0,0,0|2,0,0]=4 11930 B18R2.1923 CSCCC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100000751147 [0,2,0,0,0,0|2,0,0]=4 11931 B18R2.1923 O=C(CCCF)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100011934791 [0,2,0,0,0,0|2,0,0]=4 11932 B18R2.1923 O=C(CCCO)c1ccc2ccc(cc2c1)Br 1458a_200010152650_100011215043 [0,2,0,0,0,0|2,0,0]=4 11933 B18R2.2032 CC(CC#N)Oc1ccc2ccc(cc2c1)Br 7a_100009816537_100009813641 [0,2,0,0,0,0|1,0,1]=4 11934 B18R2.2032 CC(CC#N)Oc1ccc2ccc(cc2c1)N 7a_100015378740_100009813641 [0,2,0,0,0,0|1,0,1]=4 11935 B18R2.2032 CC(CCO)Nc1ccc2ccc(cc2c1)Br 34a_100010090036_100009893172 [0,2,0,0,0,0|2,0,0]=4 11936 B18R2.2032 CC(CCO)Nc1ccc2ccc(cc2c1)Br 7a_100010090036_100009893172 [0,2,0,0,0,0|2,0,0]=4 11937 B18R2.2032 CC(CCO)Nc1ccc2ccc(cc2c1)O 34a_100015378740_100009893172 [0,2,0,0,0,0|2,0,0]=4 11938 B18R2.2032 CC(CCO)Nc1ccc2ccc(cc2c1)O 7a_100015378740_100009893172 [0,2,0,0,0,0|2,0,0]=4 11939 B18R2.2032 CC(CCO)Oc1cc2cc(ccc2cn1)F 34a_200000101709_100009893172 [0,2,0,0,0,0|2,0,0]=4 11940 B18R2.2032 CC(CCO)Oc1ccc2ccc(=O)oc2c1 34a_100000185914_100009893172 [0,2,0,0,0,0|2,0,0]=4 11941 B18R2.2032 CC(CCO)Oc1ccc2ccc(=O)oc2c1 7a_100000185914_100009893172 [0,2,0,0,0,0|2,0,0]=4 11942 B18R2.2032 CC(CCO)Oc1ccc2ccc(cc2c1)Br 34a_100009816537_100009893172 [0,2,0,0,0,0|1,0,0]=3 11943 B18R2.2032 CC(CCO)Oc1ccc2ccc(cc2c1)Br 7a_100009816537_100009893172 [0,2,0,0,0,0|1,0,0]=3 11944 B18R2.2032 CC(CCO)Oc1ccc2ccc(cc2c1)N 34a_100015378740_100009893172 [0,2,0,0,0,0|1,0,0]=3 11945 B18R2.2032 CC(CCO)Oc1ccc2ccc(cc2c1)N 7a_100015378740_100009893172 [0,2,0,0,0,0|1,0,0]=3 11946 B18R2.2032 CC(CCO)Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_100009893172 [0,2,0,0,0,0|2,0,0]=4 11947 B18R2.2032 CC(CCO)Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_100009893172 [0,2,0,0,0,0|2,0,0]=4 11948 B18R2.2032 CC(CCO)Oc1ccc2ncc(cc2c1)Br 34a_100010137430_100009893172 [0,2,0,0,0,0|2,0,0]=4 11949 B18R2.2032 CC(CCO)Oc1ccc2ncc(cc2c1)Br 7a_100010137430_100009893172 [0,2,0,0,0,0|2,0,0]=4 11950 B18R2.2032 CC(CCO)Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_100009893172 [0,2,0,0,0,0|2,0,0]=4 11951 B18R2.2032 CC(CCO)Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_100009893172 [0,2,0,0,0,0|2,0,0]=4 11952 B18R2.2032 CC(CCO)Oc1ccc2ncc(cc2c1)F 34a_100009845357_100009893172 [0,2,0,0,0,0|2,0,0]=4 11953 B18R2.2032 CC(CCO)Oc1ccc2ncc(cc2c1)F 7a_100009845357_100009893172 [0,2,0,0,0,0|2,0,0]=4 11954 B18R2.2032 CC(CCO)Oc1cnc2ccc(cc2c1)Br 34a_100000703654_100009893172 [0,2,0,0,0,0|2,0,0]=4 11955 B18R2.2032 CC(CCO)Oc1cnc2ccc(cc2c1)Br 7a_100000703654_100009893172 [0,2,0,0,0,0|2,0,0]=4 11956 B18R2.2032 CC(CCO)Sc1ccc2ccc(cc2c1)N 62a_100009893172_100010090036 [0,2,0,0,0,0|1,1,0]=4 11957 B18R2.2032 CC(CCO)Sc1ccc2ccc(cc2c1)N 62a_100010090036_100009893172 [0,2,0,0,0,0|1,1,0]=4 11958 B18R2.2032 CC(CCO)Sc1ccc2ccc(cc2c1)O 62a_100009893172_100009816537 [0,2,0,0,0,0|1,1,0]=4 11959 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)Br 11a_100010090036_100000211992 [0,2,0,0,0,0|1,0,1]=4 11960 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)Br 1626a_100010090036_100000211992 [0,2,0,0,0,0|1,0,1]=4 11961 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)Br 22a_100010090036_100000211992 [0,2,0,0,0,0|1,0,1]=4 11962 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)Br 527a_100010090036_100000211992 [0,2,0,0,0,0|1,0,1]=4 11963 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)O 1626a_100015378740_100000211992 [0,2,0,0,0,0|1,0,1]=4 11964 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)O 22a_100015378740_100000211992 [0,2,0,0,0,0|1,0,1]=4 11965 B18R2.2032 CCCC(=O)Nc1ccc2ccc(cc2c1)O 527a_100015378740_100000211992 [0,2,0,0,0,0|1,0,1]=4 11966 B18R2.2032 CCCC(C)Nc1ccc2ccc(cc2c1)O 34a_100015378740_100000766640 [0,2,0,0,0,0|1,0,0]=3 11967 B18R2.2032 CCCC(C)Nc1ccc2ccc(cc2c1)O 7a_100015378740_100000766640 [0,2,0,0,0,0|1,0,0]=3 11968 B18R2.2032 CCCC(C)Nc1ccc2ncc(cc2c1)Br 34a_100009888932_100000766640 [0,2,0,0,0,0|2,0,0]=4 11969 B18R2.2032 CCCC(C)Oc1cc2cc(ccc2cn1)F 34a_200000101709_100000766640 [0,2,0,0,0,0|1,0,0]=3 11970 B18R2.2032 CCCC(C)Oc1ccc2ccc(=O)oc2c1 34a_100000185914_100000766640 [0,2,0,0,0,0|1,0,0]=3 11971 B18R2.2032 CCCC(C)Oc1ccc2ccc(=O)oc2c1 7a_100000185914_100000766640 [0,2,0,0,0,0|1,0,0]=3 11972 B18R2.2032 CCCC(C)Oc1ccc2ccc(cc2c1)C 34a_100000091598_100000766640 [0,2,0,0,0,0|0,0,0]=2 11973 B18R2.2032 CCCC(C)Oc1ccc2ccc(cc2c1)C 7a_100000091598_100000766640 [0,2,0,0,0,0|0,0,0]=2 11974 B18R2.2032 CCCC(C)Oc1ccc2ccc(cc2c1)N 34a_100015378740_100000766640 [0,2,0,0,0,0|0,0,0]=2 11975 B18R2.2032 CCCC(C)Oc1ccc2ccc(cc2c1)N 7a_100015378740_100000766640 [0,2,0,0,0,0|0,0,0]=2 11976 B18R2.2032 CCCC(C)Oc1ccc2ccc(nc2c1)C 34a_100009867695_100000766640 [0,2,0,0,0,0|1,0,0]=3 11977 B18R2.2032 CCCC(C)Oc1ccc2ccc(nc2c1)C 7a_100009867695_100000766640 [0,2,0,0,0,0|1,0,0]=3 11978 B18R2.2032 CCCC(C)Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000766640 [0,2,0,0,0,0|1,0,0]=3 11979 B18R2.2032 CCCC(C)Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000766640 [0,2,0,0,0,0|1,0,0]=3 11980 B18R2.2032 CCCC(C)Oc1ccc2ncc(cc2c1)Br 34a_100010137430_100000766640 [0,2,0,0,0,0|1,0,0]=3 11981 B18R2.2032 CCCC(C)Oc1ccc2ncc(cc2c1)Br 7a_100010137430_100000766640 [0,2,0,0,0,0|1,0,0]=3 11982 B18R2.2032 CCCC(C)Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000766640 [0,2,0,0,0,0|1,0,0]=3 11983 B18R2.2032 CCCC(C)Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000766640 [0,2,0,0,0,0|1,0,0]=3 11984 B18R2.2032 CCCC(C)Oc1ccc2ncc(cc2c1)F 34a_100009845357_100000766640 [0,2,0,0,0,0|1,0,0]=3 11985 B18R2.2032 CCCC(C)Oc1ccc2ncc(cc2c1)F 7a_100009845357_100000766640 [0,2,0,0,0,0|1,0,0]=3 11986 B18R2.2032 CCCC(C)Oc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000766640 [0,2,0,0,0,0|2,0,0]=4 11987 B18R2.2032 CCCC(C)Oc1cnc2ccc(cc2c1)Br 34a_100000703654_100000766640 [0,2,0,0,0,0|1,0,0]=3 11988 B18R2.2032 CCCC(C)Oc1cnc2ccc(cc2c1)Br 7a_100000703654_100000766640 [0,2,0,0,0,0|1,0,0]=3 11989 B18R2.2032 CCCC(C)Sc1cc2cc(ccc2cn1)F 62a_100000766640_100009828686 [0,2,0,0,0,0|1,1,0]=4 11990 B18R2.2032 CCCC(C)Sc1cc2cc(ccc2cn1)F 62a_100009828686_100000766640 [0,2,0,0,0,0|1,1,0]=4 11991 B18R2.2032 CCCC(C)Sc1ccc2cc[n+](cc2c1)[O-] 62a_100000766640_100009816120 [0,2,0,0,0,0|1,1,0]=4 11992 B18R2.2032 CCCC(C)Sc1ccc2ccc(=O)oc2c1 62a_100000766640_100009993525 [0,2,0,0,0,0|1,1,0]=4 11993 B18R2.2032 CCCC(C)Sc1ccc2ccc(cc2c1)N 62a_100000766640_100010090036 [0,2,0,0,0,0|0,1,0]=3 11994 B18R2.2032 CCCC(C)Sc1ccc2ccc(cc2c1)N 62a_100010090036_100000766640 [0,2,0,0,0,0|0,1,0]=3 11995 B18R2.2032 CCCC(C)Sc1ccc2ccc(cc2c1)O 62a_100000766640_100009816537 [0,2,0,0,0,0|0,1,0]=3 11996 B18R2.2032 CCCC(C)Sc1ccc2ccc(cc2n1)O 62a_100000766640_100000079174 [0,2,0,0,0,0|1,1,0]=4 11997 B18R2.2032 CCCC(C)Sc1ccc2ccc(nc2c1)C 62a_100000766640_100009817087 [0,2,0,0,0,0|1,1,0]=4 11998 B18R2.2032 CCCC(C)Sc1ccc2ccc(nc2c1)C 62a_100009817087_100000766640 [0,2,0,0,0,0|1,1,0]=4 11999 B18R2.2032 CCCC(C)Sc1ccc2ccc(nc2c1)N 62a_100010187616_100000766640 [0,2,0,0,0,0|1,1,0]=4 12000 B18R2.2032 CCCC(C)Sc1ccc2ccc(nc2c1)O 62a_100000766640_100000690401 [0,2,0,0,0,0|1,1,0]=4 12001 B18R2.2032 CCCC(C)Sc1ccc2cnc(cc2c1)F 62a_100000766640_100010291885 [0,2,0,0,0,0|1,1,0]=4 12002 B18R2.2032 CCCC(C)Sc1ccc2cnc(cc2c1)F 62a_100010291885_100000766640 [0,2,0,0,0,0|1,1,0]=4 12003 B18R2.2032 CCCC(C)Sc1ccc2cnc(cc2c1)N 62a_100000766640_100009817123 [0,2,0,0,0,0|1,1,0]=4 12004 B18R2.2032 CCCC(C)Sc1ccc2cnc(cc2c1)N 62a_100009817123_100000766640 [0,2,0,0,0,0|1,1,0]=4 12005 B18R2.2032 CCCC(C)Sc1ccc2cnc(cc2c1)O 62a_100000766640_100009817130 [0,2,0,0,0,0|1,1,0]=4 12006 B18R2.2032 CCCC(C)Sc1ccc2ncc(cc2c1)C 62a_100000766640_100009817055 [0,2,0,0,0,0|1,1,0]=4 12007 B18R2.2032 CCCC(C)Sc1ccc2ncc(cc2c1)O 62a_100000766640_100000703654 [0,2,0,0,0,0|1,1,0]=4 12008 B18R2.2032 CCCC(C)Sc1cnc2ccc(cc2c1)C 62a_100000766640_100015841224 [0,2,0,0,0,0|1,1,0]=4 12009 B18R2.2032 CCCC(C)Sc1cnc2ccc(cc2c1)N 62a_100000766640_100009888932 [0,2,0,0,0,0|1,1,0]=4 12010 B18R2.2032 CCCC(C)Sc1cnc2ccc(cc2c1)N 62a_100009888932_100000766640 [0,2,0,0,0,0|1,1,0]=4 12011 B18R2.2032 CCCC(C)Sc1cnc2ccc(cc2c1)O 62a_100000766640_100010137430 [0,2,0,0,0,0|1,1,0]=4 12012 B18R2.2032 CCCN(C)Cc1ccc2ccc(cc2c1)Br 26a_100000747261_100009816537 [0,2,0,0,0,0|2,0,0]=4 12013 B18R2.2032 CCCN(C)Cc1ccc2ccc(cc2c1)Br 270004a_100000747261_100010200085 [0,2,0,0,0,0|2,0,0]=4 12014 B18R2.2032 COCC(C)Nc1ccc2ccc(cc2c1)Br 34a_100010090036_100000765312 [0,2,0,0,0,0|2,0,0]=4 12015 B18R2.2032 COCC(C)Nc1ccc2ccc(cc2c1)Br 7a_100010090036_100000765312 [0,2,0,0,0,0|2,0,0]=4 12016 B18R2.2032 COCC(C)Nc1ccc2ccc(cc2c1)O 34a_100015378740_100000765312 [0,2,0,0,0,0|2,0,0]=4 12017 B18R2.2032 COCC(C)Nc1ccc2ccc(cc2c1)O 7a_100015378740_100000765312 [0,2,0,0,0,0|2,0,0]=4 12018 B18R2.2032 COCC(C)Oc1cc2cc(ccc2cn1)F 34a_200000101709_100000765312 [0,2,0,0,0,0|2,0,0]=4 12019 B18R2.2032 COCC(C)Oc1ccc2ccc(=O)oc2c1 34a_100000185914_100000765312 [0,2,0,0,0,0|2,0,0]=4 12020 B18R2.2032 COCC(C)Oc1ccc2ccc(=O)oc2c1 7a_100000185914_100000765312 [0,2,0,0,0,0|2,0,0]=4 12021 B18R2.2032 COCC(C)Oc1ccc2ccc(cc2c1)Br 34a_100009816537_100000765312 [0,2,0,0,0,0|1,0,0]=3 12022 B18R2.2032 COCC(C)Oc1ccc2ccc(cc2c1)Br 7a_100009816537_100000765312 [0,2,0,0,0,0|1,0,0]=3 12023 B18R2.2032 COCC(C)Oc1ccc2ccc(cc2c1)C 34a_100000091598_100000765312 [0,2,0,0,0,0|1,0,0]=3 12024 B18R2.2032 COCC(C)Oc1ccc2ccc(cc2c1)C 7a_100000091598_100000765312 [0,2,0,0,0,0|1,0,0]=3 12025 B18R2.2032 COCC(C)Oc1ccc2ccc(cc2c1)N 34a_100015378740_100000765312 [0,2,0,0,0,0|1,0,0]=3 12026 B18R2.2032 COCC(C)Oc1ccc2ccc(cc2c1)N 7a_100015378740_100000765312 [0,2,0,0,0,0|1,0,0]=3 12027 B18R2.2032 COCC(C)Oc1ccc2ccc(nc2c1)C 34a_100009867695_100000765312 [0,2,0,0,0,0|2,0,0]=4 12028 B18R2.2032 COCC(C)Oc1ccc2ccc(nc2c1)C 7a_100009867695_100000765312 [0,2,0,0,0,0|2,0,0]=4 12029 B18R2.2032 COCC(C)Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000765312 [0,2,0,0,0,0|2,0,0]=4 12030 B18R2.2032 COCC(C)Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000765312 [0,2,0,0,0,0|2,0,0]=4 12031 B18R2.2032 COCC(C)Oc1ccc2ncc(cc2c1)Br 34a_100010137430_100000765312 [0,2,0,0,0,0|2,0,0]=4 12032 B18R2.2032 COCC(C)Oc1ccc2ncc(cc2c1)Br 7a_100010137430_100000765312 [0,2,0,0,0,0|2,0,0]=4 12033 B18R2.2032 COCC(C)Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000765312 [0,2,0,0,0,0|2,0,0]=4 12034 B18R2.2032 COCC(C)Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000765312 [0,2,0,0,0,0|2,0,0]=4 12035 B18R2.2032 COCC(C)Oc1ccc2ncc(cc2c1)F 34a_100009845357_100000765312 [0,2,0,0,0,0|2,0,0]=4 12036 B18R2.2032 COCC(C)Oc1ccc2ncc(cc2c1)F 7a_100009845357_100000765312 [0,2,0,0,0,0|2,0,0]=4 12037 B18R2.2032 COCC(C)Oc1cnc2ccc(cc2c1)Br 34a_100000703654_100000765312 [0,2,0,0,0,0|2,0,0]=4 12038 B18R2.2032 COCC(C)Oc1cnc2ccc(cc2c1)Br 7a_100000703654_100000765312 [0,2,0,0,0,0|2,0,0]=4 12039 B18R2.2032 COCC(C)Sc1ccc2ccc(cc2c1)N 62a_100000765312_100010090036 [0,2,0,0,0,0|1,1,0]=4 12040 B18R2.2032 COCC(C)Sc1ccc2ccc(cc2c1)N 62a_100010090036_100000765312 [0,2,0,0,0,0|1,1,0]=4 12041 B18R2.2032 COCC(C)Sc1ccc2ccc(cc2c1)O 62a_100000765312_100009816537 [0,2,0,0,0,0|1,1,0]=4 12042 B18R2.2032 Cc1ccc2ccc(cc2c1)OC(C)CC#N 7a_100000091598_100009813641 [0,2,0,0,0,0|1,0,1]=4 12043 B18R2.2032 Cc1ccc2ccc(cc2c1)OC(C)CCO 34a_100000091598_100009893172 [0,2,0,0,0,0|1,0,0]=3 12044 B18R2.2032 Cc1ccc2ccc(cc2c1)OC(C)CCO 7a_100000091598_100009893172 [0,2,0,0,0,0|1,0,0]=3 12045 B18R2.2032 Cc1ccc2ccc(cc2n1)OC(C)CCO 34a_100009867695_100009893172 [0,2,0,0,0,0|2,0,0]=4 12046 B18R2.2032 Cc1ccc2ccc(cc2n1)OC(C)CCO 7a_100009867695_100009893172 [0,2,0,0,0,0|2,0,0]=4 12047 B18R2.4544 C#CCCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000695029 [0,2,0,0,0,0|1,0,1]=4 12048 B18R2.4544 C#CCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011215417 [0,2,0,0,0,0|1,0,1]=4 12049 B18R2.4544 C#CCCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000695029 [0,2,0,0,0,0|1,0,1]=4 12050 B18R2.4544 C#CCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100011215417 [0,2,0,0,0,0|1,0,1]=4 12051 B18R2.4544 C#CCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000695029 [0,2,0,0,0,0|1,0,1]=4 12052 B18R2.4544 C#CCCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000695029 [0,2,0,0,0,0|1,0,1]=4 12053 B18R2.4544 C#CCCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100011215417 [0,2,0,0,0,0|1,0,1]=4 12054 B18R2.4544 C#CCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000695029 [0,2,0,0,0,0|0,0,1]=3 12055 B18R2.4544 C#CCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011215417 [0,2,0,0,0,0|0,0,1]=3 12056 B18R2.4544 C#CCCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000695029 [0,2,0,0,0,0|0,0,1]=3 12057 B18R2.4544 C#CCCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100011215417 [0,2,0,0,0,0|0,0,1]=3 12058 B18R2.4544 C#CCCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000695029 [0,2,0,0,0,0|0,0,1]=3 12059 B18R2.4544 C#CCCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100011215417 [0,2,0,0,0,0|0,0,1]=3 12060 B18R2.4544 C#CCCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000695029 [0,2,0,0,0,0|1,0,1]=4 12061 B18R2.4544 C#CCCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100011215417 [0,2,0,0,0,0|1,0,1]=4 12062 B18R2.4544 C#CCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000695029 [0,2,0,0,0,0|1,0,1]=4 12063 B18R2.4544 C#CCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011215417 [0,2,0,0,0,0|1,0,1]=4 12064 B18R2.4544 C#CCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000695029 [0,2,0,0,0,0|1,0,1]=4 12065 B18R2.4544 C#CCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100011215417 [0,2,0,0,0,0|1,0,1]=4 12066 B18R2.4544 C#CCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000695029 [0,2,0,0,0,0|1,0,1]=4 12067 B18R2.4544 C#CCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011215417 [0,2,0,0,0,0|1,0,1]=4 12068 B18R2.4544 C#CCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000695029 [0,2,0,0,0,0|1,0,1]=4 12069 B18R2.4544 C#CCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100011215417 [0,2,0,0,0,0|1,0,1]=4 12070 B18R2.4544 C#CCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000695029 [0,2,0,0,0,0|1,0,1]=4 12071 B18R2.4544 C#CCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100011215417 [0,2,0,0,0,0|1,0,1]=4 12072 B18R2.4544 C#CCCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100011215417 [0,2,0,0,0,0|0,1,1]=4 12073 B18R2.4544 C#CCCCSc1ccc2ccc(cc2c1)N 62a_100011215417_100010090036 [0,2,0,0,0,0|0,1,1]=4 12074 B18R2.4544 C#CCCCSc1ccc2ccc(cc2c1)O 62a_100011215417_100009816537 [0,2,0,0,0,0|0,1,1]=4 12075 B18R2.4544 C=CCCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000757094 [0,2,0,0,0,0|1,0,1]=4 12076 B18R2.4544 C=CCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000757094 [0,2,0,0,0,0|1,0,1]=4 12077 B18R2.4544 C=CCCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000757094 [0,2,0,0,0,0|1,0,1]=4 12078 B18R2.4544 C=CCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000757094 [0,2,0,0,0,0|1,0,1]=4 12079 B18R2.4544 C=CCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000757094 [0,2,0,0,0,0|1,0,1]=4 12080 B18R2.4544 C=CCCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000757094 [0,2,0,0,0,0|1,0,1]=4 12081 B18R2.4544 C=CCCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000757094 [0,2,0,0,0,0|1,0,1]=4 12082 B18R2.4544 C=CCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000757094 [0,2,0,0,0,0|0,0,1]=3 12083 B18R2.4544 C=CCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000757094 [0,2,0,0,0,0|0,0,1]=3 12084 B18R2.4544 C=CCCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000757094 [0,2,0,0,0,0|0,0,1]=3 12085 B18R2.4544 C=CCCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000757094 [0,2,0,0,0,0|0,0,1]=3 12086 B18R2.4544 C=CCCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000757094 [0,2,0,0,0,0|0,0,1]=3 12087 B18R2.4544 C=CCCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000757094 [0,2,0,0,0,0|0,0,1]=3 12088 B18R2.4544 C=CCCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000757094 [0,2,0,0,0,0|1,0,1]=4 12089 B18R2.4544 C=CCCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000757094 [0,2,0,0,0,0|1,0,1]=4 12090 B18R2.4544 C=CCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000757094 [0,2,0,0,0,0|1,0,1]=4 12091 B18R2.4544 C=CCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000757094 [0,2,0,0,0,0|1,0,1]=4 12092 B18R2.4544 C=CCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000757094 [0,2,0,0,0,0|1,0,1]=4 12093 B18R2.4544 C=CCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000757094 [0,2,0,0,0,0|1,0,1]=4 12094 B18R2.4544 C=CCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000757094 [0,2,0,0,0,0|1,0,1]=4 12095 B18R2.4544 C=CCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000757094 [0,2,0,0,0,0|1,0,1]=4 12096 B18R2.4544 C=CCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000757094 [0,2,0,0,0,0|1,0,1]=4 12097 B18R2.4544 C=CCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000757094 [0,2,0,0,0,0|1,0,1]=4 12098 B18R2.4544 C=CCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000757094 [0,2,0,0,0,0|1,0,1]=4 12099 B18R2.4544 C=CCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000757094 [0,2,0,0,0,0|1,0,1]=4 12100 B18R2.4544 C=CCCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000757094 [0,2,0,0,0,0|0,1,1]=4 12101 B18R2.4544 C=CCCCSc1ccc2ccc(cc2c1)N 62a_100011713584_100010090036 [0,2,0,0,0,0|0,1,1]=4 12102 B18R2.4544 C=CCCCSc1ccc2ccc(cc2c1)O 62a_100011713584_100009816537 [0,2,0,0,0,0|0,1,1]=4 12103 B18R2.4544 C=COCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000039644 [0,2,0,0,0,0|0,0,2]=4 12104 B18R2.4544 C=COCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000039644 [0,2,0,0,0,0|0,0,2]=4 12105 B18R2.4544 C=COCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000039644 [0,2,0,0,0,0|0,0,2]=4 12106 B18R2.4544 C=COCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000039644 [0,2,0,0,0,0|0,0,2]=4 12107 B18R2.4544 C=COCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000039644 [0,2,0,0,0,0|0,0,2]=4 12108 B18R2.4544 C=COCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000039644 [0,2,0,0,0,0|0,0,2]=4 12109 B18R2.4544 CC/C=C\CNc1ccc2ccc(cc2c1)Br 34a_100010090036_100103147603 [0,2,0,0,0,0|1,0,1]=4 12110 B18R2.4544 CC/C=C\CNc1ccc2ccc(cc2c1)Br 7a_100010090036_100103147603 [0,2,0,0,0,0|1,0,1]=4 12111 B18R2.4544 CC/C=C\CNc1ccc2ccc(cc2c1)O 34a_100015378740_100103147603 [0,2,0,0,0,0|1,0,1]=4 12112 B18R2.4544 CC/C=C\CNc1ccc2ccc(cc2c1)O 7a_100015378740_100103147603 [0,2,0,0,0,0|1,0,1]=4 12113 B18R2.4544 CC/C=C\COc1cc2cc(ccc2cn1)F 34a_200000101709_100103147603 [0,2,0,0,0,0|1,0,1]=4 12114 B18R2.4544 CC/C=C\COc1ccc2ccc(=O)oc2c1 34a_100000185914_100103147603 [0,2,0,0,0,0|1,0,1]=4 12115 B18R2.4544 CC/C=C\COc1ccc2ccc(=O)oc2c1 7a_100000185914_100103147603 [0,2,0,0,0,0|1,0,1]=4 12116 B18R2.4544 CC/C=C\COc1ccc2ccc(cc2c1)Br 34a_100009816537_100103147603 [0,2,0,0,0,0|0,0,1]=3 12117 B18R2.4544 CC/C=C\COc1ccc2ccc(cc2c1)Br 7a_100009816537_100103147603 [0,2,0,0,0,0|0,0,1]=3 12118 B18R2.4544 CC/C=C\COc1ccc2ccc(cc2c1)C 34a_100000091598_100103147603 [0,2,0,0,0,0|0,0,1]=3 12119 B18R2.4544 CC/C=C\COc1ccc2ccc(cc2c1)C 7a_100000091598_100103147603 [0,2,0,0,0,0|0,0,1]=3 12120 B18R2.4544 CC/C=C\COc1ccc2ccc(cc2c1)N 34a_100015378740_100103147603 [0,2,0,0,0,0|0,0,1]=3 12121 B18R2.4544 CC/C=C\COc1ccc2ccc(cc2c1)N 7a_100015378740_100103147603 [0,2,0,0,0,0|0,0,1]=3 12122 B18R2.4544 CC/C=C\COc1ccc2ccc(nc2c1)C 34a_100009867695_100103147603 [0,2,0,0,0,0|1,0,1]=4 12123 B18R2.4544 CC/C=C\COc1ccc2ccc(nc2c1)C 7a_100009867695_100103147603 [0,2,0,0,0,0|1,0,1]=4 12124 B18R2.4544 CC/C=C\COc1ccc2ccc(nc2c1)Cl 34a_100000079174_100103147603 [0,2,0,0,0,0|1,0,1]=4 12125 B18R2.4544 CC/C=C\COc1ccc2ccc(nc2c1)Cl 7a_100000079174_100103147603 [0,2,0,0,0,0|1,0,1]=4 12126 B18R2.4544 CC/C=C\COc1ccc2ncc(cc2c1)Br 34a_100010137430_100103147603 [0,2,0,0,0,0|1,0,1]=4 12127 B18R2.4544 CC/C=C\COc1ccc2ncc(cc2c1)Br 7a_100010137430_100103147603 [0,2,0,0,0,0|1,0,1]=4 12128 B18R2.4544 CC/C=C\COc1ccc2ncc(cc2c1)Cl 34a_100009869629_100103147603 [0,2,0,0,0,0|1,0,1]=4 12129 B18R2.4544 CC/C=C\COc1ccc2ncc(cc2c1)Cl 7a_100009869629_100103147603 [0,2,0,0,0,0|1,0,1]=4 12130 B18R2.4544 CC/C=C\COc1ccc2ncc(cc2c1)F 34a_100009845357_100103147603 [0,2,0,0,0,0|1,0,1]=4 12131 B18R2.4544 CC/C=C\COc1ccc2ncc(cc2c1)F 7a_100009845357_100103147603 [0,2,0,0,0,0|1,0,1]=4 12132 B18R2.4544 CC/C=C\COc1cnc2ccc(cc2c1)Br 34a_100000703654_100103147603 [0,2,0,0,0,0|1,0,1]=4 12133 B18R2.4544 CC/C=C\COc1cnc2ccc(cc2c1)Br 7a_100000703654_100103147603 [0,2,0,0,0,0|1,0,1]=4 12134 B18R2.4544 CC/C=C\CSc1ccc2ccc(cc2c1)N 62a_100010090036_100103147603 [0,2,0,0,0,0|0,1,1]=4 12135 B18R2.4544 CC/C=C\CSc1ccc2ccc(cc2c1)N 62a_100103147603_100010090036 [0,2,0,0,0,0|0,1,1]=4 12136 B18R2.4544 CC/C=C\CSc1ccc2ccc(cc2c1)O 62a_100103147603_100009816537 [0,2,0,0,0,0|0,1,1]=4 12137 B18R2.4544 CCC#CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100009813939 [0,2,0,0,0,0|1,0,1]=4 12138 B18R2.4544 CCC#CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100009813939 [0,2,0,0,0,0|1,0,1]=4 12139 B18R2.4544 CCC#CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100009813939 [0,2,0,0,0,0|1,0,1]=4 12140 B18R2.4544 CCC#CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100009813939 [0,2,0,0,0,0|1,0,1]=4 12141 B18R2.4544 CCC#CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100009813939 [0,2,0,0,0,0|1,0,1]=4 12142 B18R2.4544 CCC#CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100009813939 [0,2,0,0,0,0|1,0,1]=4 12143 B18R2.4544 CCC#CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100009813939 [0,2,0,0,0,0|1,0,1]=4 12144 B18R2.4544 CCC#CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100009813939 [0,2,0,0,0,0|0,0,1]=3 12145 B18R2.4544 CCC#CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100009813939 [0,2,0,0,0,0|0,0,1]=3 12146 B18R2.4544 CCC#CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100009813939 [0,2,0,0,0,0|0,0,1]=3 12147 B18R2.4544 CCC#CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100009813939 [0,2,0,0,0,0|0,0,1]=3 12148 B18R2.4544 CCC#CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100009813939 [0,2,0,0,0,0|0,0,1]=3 12149 B18R2.4544 CCC#CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100009813939 [0,2,0,0,0,0|0,0,1]=3 12150 B18R2.4544 CCC#CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100009813939 [0,2,0,0,0,0|1,0,1]=4 12151 B18R2.4544 CCC#CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100009813939 [0,2,0,0,0,0|1,0,1]=4 12152 B18R2.4544 CCC#CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100009813939 [0,2,0,0,0,0|1,0,1]=4 12153 B18R2.4544 CCC#CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100009813939 [0,2,0,0,0,0|1,0,1]=4 12154 B18R2.4544 CCC#CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100009813939 [0,2,0,0,0,0|1,0,1]=4 12155 B18R2.4544 CCC#CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100009813939 [0,2,0,0,0,0|1,0,1]=4 12156 B18R2.4544 CCC#CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100009813939 [0,2,0,0,0,0|1,0,1]=4 12157 B18R2.4544 CCC#CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100009813939 [0,2,0,0,0,0|1,0,1]=4 12158 B18R2.4544 CCC#CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100009813939 [0,2,0,0,0,0|1,0,1]=4 12159 B18R2.4544 CCC#CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100009813939 [0,2,0,0,0,0|1,0,1]=4 12160 B18R2.4544 CCC#CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100009813939 [0,2,0,0,0,0|1,0,1]=4 12161 B18R2.4544 CCC#CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100009813939 [0,2,0,0,0,0|1,0,1]=4 12162 B18R2.4544 CCC#CCSc1ccc2ccc(cc2c1)N 62a_100009813939_100010090036 [0,2,0,0,0,0|0,1,1]=4 12163 B18R2.4544 CCC#CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100009813939 [0,2,0,0,0,0|0,1,1]=4 12164 B18R2.4544 CCC#CCSc1ccc2ccc(cc2c1)O 62a_100009813939_100009816537 [0,2,0,0,0,0|0,1,1]=4 12165 B18R2.4544 CCCCC=Cc1cc2cc(ccc2cn1)F 271570a_100016275911_100009828686 [0,2,0,0,0,0|2,0,0]=4 12166 B18R2.4544 CCCCC=Cc1ccc2cc[n+](cc2c1)[O-] 271570a_100016275911_100009816120 [0,2,0,0,0,0|2,0,0]=4 12167 B18R2.4544 CCCCC=Cc1ccc2ccc(=O)oc2c1 271570a_100016275911_100009993525 [0,2,0,0,0,0|2,0,0]=4 12168 B18R2.4544 CCCCC=Cc1ccc2ccc(cc2c1)N 271570a_100016275911_100010090036 [0,2,0,0,0,0|1,0,0]=3 12169 B18R2.4544 CCCCC=Cc1ccc2ccc(cc2c1)O 271570a_100016275911_100009816537 [0,2,0,0,0,0|1,0,0]=3 12170 B18R2.4544 CCCCC=Cc1ccc2ccc(cc2n1)O 271570a_100016275911_100000079174 [0,2,0,0,0,0|2,0,0]=4 12171 B18R2.4544 CCCCC=Cc1ccc2ccc(nc2c1)C 271570a_100016275911_100009817087 [0,2,0,0,0,0|2,0,0]=4 12172 B18R2.4544 CCCCC=Cc1ccc2ccc(nc2c1)N 271570a_100016275911_100010187616 [0,2,0,0,0,0|2,0,0]=4 12173 B18R2.4544 CCCCC=Cc1ccc2ccc(nc2c1)O 271570a_100016275911_100000690401 [0,2,0,0,0,0|2,0,0]=4 12174 B18R2.4544 CCCCC=Cc1ccc2cnc(cc2c1)F 271570a_100016275911_100010291885 [0,2,0,0,0,0|2,0,0]=4 12175 B18R2.4544 CCCCC=Cc1ccc2cnc(cc2c1)N 271570a_100016275911_100009817123 [0,2,0,0,0,0|2,0,0]=4 12176 B18R2.4544 CCCCC=Cc1ccc2cnc(cc2c1)O 271570a_100016275911_100009817130 [0,2,0,0,0,0|2,0,0]=4 12177 B18R2.4544 CCCCC=Cc1ccc2ncc(cc2c1)C 271570a_100016275911_100009817055 [0,2,0,0,0,0|2,0,0]=4 12178 B18R2.4544 CCCCC=Cc1ccc2ncc(cc2c1)O 271570a_100016275911_100000703654 [0,2,0,0,0,0|2,0,0]=4 12179 B18R2.4544 CCCCC=Cc1cnc2ccc(cc2c1)C 271570a_100016275911_100015841224 [0,2,0,0,0,0|2,0,0]=4 12180 B18R2.4544 CCCCC=Cc1cnc2ccc(cc2c1)N 271570a_100016275911_100009888932 [0,2,0,0,0,0|2,0,0]=4 12181 B18R2.4544 CCCCC=Cc1cnc2ccc(cc2c1)O 271570a_100016275911_100010137430 [0,2,0,0,0,0|2,0,0]=4 12182 B18R2.4544 CCCCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000718602 [0,2,0,0,0,0|1,0,0]=3 12183 B18R2.4544 CCCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210326 [0,2,0,0,0,0|1,0,0]=3 12184 B18R2.4544 CCCCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000718602 [0,2,0,0,0,0|2,0,0]=4 12185 B18R2.4544 CCCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000718602 [0,2,0,0,0,0|1,0,0]=3 12186 B18R2.4544 CCCCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000718602 [0,2,0,0,0,0|1,0,0]=3 12187 B18R2.4544 CCCCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210326 [0,2,0,0,0,0|1,0,0]=3 12188 B18R2.4544 CCCCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000718602 [0,2,0,0,0,0|0,0,0]=2 12189 B18R2.4544 CCCCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000210326 [0,2,0,0,0,0|0,0,0]=2 12190 B18R2.4544 CCCCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000718602 [0,2,0,0,0,0|0,0,0]=2 12191 B18R2.4544 CCCCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210326 [0,2,0,0,0,0|0,0,0]=2 12192 B18R2.4544 CCCCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000718602 [0,2,0,0,0,0|1,0,0]=3 12193 B18R2.4544 CCCCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000210326 [0,2,0,0,0,0|1,0,0]=3 12194 B18R2.4544 CCCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000718602 [0,2,0,0,0,0|1,0,0]=3 12195 B18R2.4544 CCCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210326 [0,2,0,0,0,0|1,0,0]=3 12196 B18R2.4544 CCCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000718602 [0,2,0,0,0,0|1,0,0]=3 12197 B18R2.4544 CCCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210326 [0,2,0,0,0,0|1,0,0]=3 12198 B18R2.4544 CCCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000718602 [0,2,0,0,0,0|1,0,0]=3 12199 B18R2.4544 CCCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210326 [0,2,0,0,0,0|1,0,0]=3 12200 B18R2.4544 CCCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000718602 [0,2,0,0,0,0|1,0,0]=3 12201 B18R2.4544 CCCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210326 [0,2,0,0,0,0|1,0,0]=3 12202 B18R2.4544 CCCCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000718602 [0,2,0,0,0,0|2,0,0]=4 12203 B18R2.4544 CCCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000718602 [0,2,0,0,0,0|1,0,0]=3 12204 B18R2.4544 CCCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210326 [0,2,0,0,0,0|1,0,0]=3 12205 B18R2.4544 CCCCCSc1cc2cc(ccc2cn1)F 62a_100000210326_100009828686 [0,2,0,0,0,0|1,1,0]=4 12206 B18R2.4544 CCCCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210326 [0,2,0,0,0,0|1,1,0]=4 12207 B18R2.4544 CCCCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210326_100009816120 [0,2,0,0,0,0|1,1,0]=4 12208 B18R2.4544 CCCCCSc1ccc2ccc(=O)oc2c1 62a_100000210326_100009993525 [0,2,0,0,0,0|1,1,0]=4 12209 B18R2.4544 CCCCCSc1ccc2ccc(cc2c1)N 62a_100000210326_100010090036 [0,2,0,0,0,0|0,1,0]=3 12210 B18R2.4544 CCCCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210326 [0,2,0,0,0,0|0,1,0]=3 12211 B18R2.4544 CCCCCSc1ccc2ccc(cc2c1)O 62a_100000210326_100009816537 [0,2,0,0,0,0|0,1,0]=3 12212 B18R2.4544 CCCCCSc1ccc2ccc(cc2n1)O 62a_100000210326_100000079174 [0,2,0,0,0,0|1,1,0]=4 12213 B18R2.4544 CCCCCSc1ccc2ccc(nc2c1)C 62a_100000210326_100009817087 [0,2,0,0,0,0|1,1,0]=4 12214 B18R2.4544 CCCCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000210326 [0,2,0,0,0,0|1,1,0]=4 12215 B18R2.4544 CCCCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000210326 [0,2,0,0,0,0|1,1,0]=4 12216 B18R2.4544 CCCCCSc1ccc2ccc(nc2c1)O 62a_100000210326_100000690401 [0,2,0,0,0,0|1,1,0]=4 12217 B18R2.4544 CCCCCSc1ccc2cnc(cc2c1)F 62a_100000210326_100010291885 [0,2,0,0,0,0|1,1,0]=4 12218 B18R2.4544 CCCCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210326 [0,2,0,0,0,0|1,1,0]=4 12219 B18R2.4544 CCCCCSc1ccc2cnc(cc2c1)N 62a_100000210326_100009817123 [0,2,0,0,0,0|1,1,0]=4 12220 B18R2.4544 CCCCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000210326 [0,2,0,0,0,0|1,1,0]=4 12221 B18R2.4544 CCCCCSc1ccc2cnc(cc2c1)O 62a_100000210326_100009817130 [0,2,0,0,0,0|1,1,0]=4 12222 B18R2.4544 CCCCCSc1ccc2ncc(cc2c1)C 62a_100000210326_100009817055 [0,2,0,0,0,0|1,1,0]=4 12223 B18R2.4544 CCCCCSc1ccc2ncc(cc2c1)O 62a_100000210326_100000703654 [0,2,0,0,0,0|1,1,0]=4 12224 B18R2.4544 CCCCCSc1cnc2ccc(cc2c1)C 62a_100000210326_100015841224 [0,2,0,0,0,0|1,1,0]=4 12225 B18R2.4544 CCCCCSc1cnc2ccc(cc2c1)N 62a_100000210326_100009888932 [0,2,0,0,0,0|1,1,0]=4 12226 B18R2.4544 CCCCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000210326 [0,2,0,0,0,0|1,1,0]=4 12227 B18R2.4544 CCCCCSc1cnc2ccc(cc2c1)O 62a_100000210326_100010137430 [0,2,0,0,0,0|1,1,0]=4 12228 B18R2.4544 CCCCNCc1ccc2ccc(cc2c1)Br 207a_100000102301_100010200085 [0,2,0,0,0,0|1,0,0]=3 12229 B18R2.4544 CCCCNCc1ccc2ccc(cc2c1)Br 270004a_100000102301_100010200085 [0,2,0,0,0,0|1,0,0]=3 12230 B18R2.4544 CCCCNCc1ccc2ccc(cc2n1)Cl 207a_100000102301_100000083681 [0,2,0,0,0,0|2,0,0]=4 12231 B18R2.4544 CCCCNCc1ccc2ccc(cc2n1)Cl 2230a_100000102301_100010196396 [0,2,0,0,0,0|2,0,0]=4 12232 B18R2.4544 CCCCNCc1ccc2ccc(cc2n1)Cl 270004a_100000102301_100000083681 [0,2,0,0,0,0|2,0,0]=4 12233 B18R2.4544 CCCCNCc1ccc2ccc(cc2n1)Cl 7a_106832991798_100010196396 [0,2,0,0,0,0|2,0,0]=4 12234 B18R2.4544 CCCCNCc1cnc2ccc(cc2c1)Br 207a_100000102301_100010174008 [0,2,0,0,0,0|2,0,0]=4 12235 B18R2.4544 CCCCNCc1cnc2ccc(cc2c1)Br 270004a_100000102301_100010174008 [0,2,0,0,0,0|2,0,0]=4 12236 B18R2.4544 CCCCNCc1cnc2ccc(cc2c1)Cl 207a_100000102301_200000110299 [0,2,0,0,0,0|2,0,0]=4 12237 B18R2.4544 CCCCNCc1cnc2ccc(cc2c1)Cl 270004a_100000102301_200000110299 [0,2,0,0,0,0|2,0,0]=4 12238 B18R2.4544 CCCCOCc1ccc2ccc(cc2n1)Cl 34a_100000210227_100010196396 [0,2,0,0,0,0|1,0,0]=3 12239 B18R2.4544 CCCCOCc1ccc2ccc(cc2n1)Cl 7a_100000210227_100010196396 [0,2,0,0,0,0|1,0,0]=3 12240 B18R2.4544 CCCCSCc1ccc2ccc(cc2n1)Cl 62a_100000210211_100010196396 [0,2,0,0,0,0|1,1,0]=4 12241 B18R2.4544 CCCCSCc1ccc2ccc(cc2n1)Cl 62a_100010196396_100000210210 [0,2,0,0,0,0|1,1,0]=4 12242 B18R2.4544 CCCNN=Cc1ccc2ccc(cc2c1)Br 4a_100000740057_100010200085 [0,2,0,0,0,0|2,0,0]=4 12243 B18R2.4544 CCOCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210147 [0,2,0,0,0,0|1,0,0]=3 12244 B18R2.4544 CCOCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011215890 [0,2,0,0,0,0|1,0,0]=3 12245 B18R2.4544 CCOCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210147 [0,2,0,0,0,0|1,0,0]=3 12246 B18R2.4544 CCOCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100011215890 [0,2,0,0,0,0|1,0,0]=3 12247 B18R2.4544 CCOCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210147 [0,2,0,0,0,0|2,0,0]=4 12248 B18R2.4544 CCOCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210147 [0,2,0,0,0,0|1,0,0]=3 12249 B18R2.4544 CCOCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210147 [0,2,0,0,0,0|1,0,0]=3 12250 B18R2.4544 CCOCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100011215890 [0,2,0,0,0,0|1,0,0]=3 12251 B18R2.4544 CCOCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210147 [0,2,0,0,0,0|0,0,0]=2 12252 B18R2.4544 CCOCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100011215890 [0,2,0,0,0,0|0,0,0]=2 12253 B18R2.4544 CCOCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000210147 [0,2,0,0,0,0|0,0,0]=2 12254 B18R2.4544 CCOCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100011215890 [0,2,0,0,0,0|0,0,0]=2 12255 B18R2.4544 CCOCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210147 [0,2,0,0,0,0|0,0,0]=2 12256 B18R2.4544 CCOCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100011215890 [0,2,0,0,0,0|0,0,0]=2 12257 B18R2.4544 CCOCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000210147 [0,2,0,0,0,0|1,0,0]=3 12258 B18R2.4544 CCOCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100011215890 [0,2,0,0,0,0|1,0,0]=3 12259 B18R2.4544 CCOCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210147 [0,2,0,0,0,0|1,0,0]=3 12260 B18R2.4544 CCOCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100011215890 [0,2,0,0,0,0|1,0,0]=3 12261 B18R2.4544 CCOCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210147 [0,2,0,0,0,0|1,0,0]=3 12262 B18R2.4544 CCOCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100011215890 [0,2,0,0,0,0|1,0,0]=3 12263 B18R2.4544 CCOCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210147 [0,2,0,0,0,0|1,0,0]=3 12264 B18R2.4544 CCOCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100011215890 [0,2,0,0,0,0|1,0,0]=3 12265 B18R2.4544 CCOCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210147 [0,2,0,0,0,0|1,0,0]=3 12266 B18R2.4544 CCOCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100011215890 [0,2,0,0,0,0|1,0,0]=3 12267 B18R2.4544 CCOCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210147 [0,2,0,0,0,0|2,0,0]=4 12268 B18R2.4544 CCOCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210147 [0,2,0,0,0,0|1,0,0]=3 12269 B18R2.4544 CCOCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100011215890 [0,2,0,0,0,0|1,0,0]=3 12270 B18R2.4544 CCOCCSc1cc2cc(ccc2cn1)F 62a_100000210147_100009828686 [0,2,0,0,0,0|1,1,0]=4 12271 B18R2.4544 CCOCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100011215890 [0,2,0,0,0,0|1,1,0]=4 12272 B18R2.4544 CCOCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210147_100009816120 [0,2,0,0,0,0|1,1,0]=4 12273 B18R2.4544 CCOCCSc1ccc2ccc(=O)oc2c1 62a_100000210147_100009993525 [0,2,0,0,0,0|1,1,0]=4 12274 B18R2.4544 CCOCCSc1ccc2ccc(cc2c1)N 62a_100000210147_100010090036 [0,2,0,0,0,0|0,1,0]=3 12275 B18R2.4544 CCOCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100011215890 [0,2,0,0,0,0|0,1,0]=3 12276 B18R2.4544 CCOCCSc1ccc2ccc(cc2c1)O 62a_100000210147_100009816537 [0,2,0,0,0,0|0,1,0]=3 12277 B18R2.4544 CCOCCSc1ccc2ccc(cc2n1)O 62a_100000210147_100000079174 [0,2,0,0,0,0|1,1,0]=4 12278 B18R2.4544 CCOCCSc1ccc2ccc(nc2c1)C 62a_100000210147_100009817087 [0,2,0,0,0,0|1,1,0]=4 12279 B18R2.4544 CCOCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100011215890 [0,2,0,0,0,0|1,1,0]=4 12280 B18R2.4544 CCOCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100011215890 [0,2,0,0,0,0|1,1,0]=4 12281 B18R2.4544 CCOCCSc1ccc2ccc(nc2c1)O 62a_100000210147_100000690401 [0,2,0,0,0,0|1,1,0]=4 12282 B18R2.4544 CCOCCSc1ccc2cnc(cc2c1)F 62a_100000210147_100010291885 [0,2,0,0,0,0|1,1,0]=4 12283 B18R2.4544 CCOCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100011215890 [0,2,0,0,0,0|1,1,0]=4 12284 B18R2.4544 CCOCCSc1ccc2cnc(cc2c1)N 62a_100000210147_100009817123 [0,2,0,0,0,0|1,1,0]=4 12285 B18R2.4544 CCOCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100011215890 [0,2,0,0,0,0|1,1,0]=4 12286 B18R2.4544 CCOCCSc1ccc2cnc(cc2c1)O 62a_100000210147_100009817130 [0,2,0,0,0,0|1,1,0]=4 12287 B18R2.4544 CCOCCSc1ccc2ncc(cc2c1)Br 62a_100000210147_200010254249 [0,2,0,0,0,0|1,1,0]=4 12288 B18R2.4544 CCOCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100011215890 [0,2,0,0,0,0|1,1,0]=4 12289 B18R2.4544 CCOCCSc1ccc2ncc(cc2c1)C 62a_100000210147_100009817055 [0,2,0,0,0,0|1,1,0]=4 12290 B18R2.4544 CCOCCSc1ccc2ncc(cc2c1)O 62a_100000210147_100000703654 [0,2,0,0,0,0|1,1,0]=4 12291 B18R2.4544 CCOCCSc1cnc2ccc(cc2c1)Br 62a_100000210147_100010740133 [0,2,0,0,0,0|1,1,0]=4 12292 B18R2.4544 CCOCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100011215890 [0,2,0,0,0,0|1,1,0]=4 12293 B18R2.4544 CCOCCSc1cnc2ccc(cc2c1)C 62a_100000210147_100015841224 [0,2,0,0,0,0|1,1,0]=4 12294 B18R2.4544 CCOCCSc1cnc2ccc(cc2c1)Cl 62a_100000210147_100015929906 [0,2,0,0,0,0|1,1,0]=4 12295 B18R2.4544 CCOCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100011215890 [0,2,0,0,0,0|1,1,0]=4 12296 B18R2.4544 CCOCCSc1cnc2ccc(cc2c1)N 62a_100000210147_100009888932 [0,2,0,0,0,0|1,1,0]=4 12297 B18R2.4544 CCOCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100011215890 [0,2,0,0,0,0|1,1,0]=4 12298 B18R2.4544 CCOCCSc1cnc2ccc(cc2c1)O 62a_100000210147_100010137430 [0,2,0,0,0,0|1,1,0]=4 12299 B18R2.4544 CCSCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000757381 [0,2,0,0,0,0|1,0,0]=3 12300 B18R2.4544 CCSCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000757381 [0,2,0,0,0,0|1,0,0]=3 12301 B18R2.4544 CCSCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000757381 [0,2,0,0,0,0|1,0,0]=3 12302 B18R2.4544 CCSCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000757381 [0,2,0,0,0,0|1,0,0]=3 12303 B18R2.4544 CCSCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000757381 [0,2,0,0,0,0|2,0,0]=4 12304 B18R2.4544 CCSCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000757381 [0,2,0,0,0,0|1,0,0]=3 12305 B18R2.4544 CCSCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000757381 [0,2,0,0,0,0|1,0,0]=3 12306 B18R2.4544 CCSCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000757381 [0,2,0,0,0,0|1,0,0]=3 12307 B18R2.4544 CCSCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000757381 [0,2,0,0,0,0|0,0,0]=2 12308 B18R2.4544 CCSCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000757381 [0,2,0,0,0,0|0,0,0]=2 12309 B18R2.4544 CCSCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000757381 [0,2,0,0,0,0|0,0,0]=2 12310 B18R2.4544 CCSCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000757381 [0,2,0,0,0,0|0,0,0]=2 12311 B18R2.4544 CCSCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000757381 [0,2,0,0,0,0|0,0,0]=2 12312 B18R2.4544 CCSCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000757381 [0,2,0,0,0,0|0,0,0]=2 12313 B18R2.4544 CCSCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000757381 [0,2,0,0,0,0|1,0,0]=3 12314 B18R2.4544 CCSCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000757381 [0,2,0,0,0,0|1,0,0]=3 12315 B18R2.4544 CCSCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000757381 [0,2,0,0,0,0|1,0,0]=3 12316 B18R2.4544 CCSCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000757381 [0,2,0,0,0,0|1,0,0]=3 12317 B18R2.4544 CCSCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000757381 [0,2,0,0,0,0|1,0,0]=3 12318 B18R2.4544 CCSCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000757381 [0,2,0,0,0,0|1,0,0]=3 12319 B18R2.4544 CCSCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000757381 [0,2,0,0,0,0|1,0,0]=3 12320 B18R2.4544 CCSCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000757381 [0,2,0,0,0,0|1,0,0]=3 12321 B18R2.4544 CCSCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000757381 [0,2,0,0,0,0|1,0,0]=3 12322 B18R2.4544 CCSCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000757381 [0,2,0,0,0,0|1,0,0]=3 12323 B18R2.4544 CCSCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000757381 [0,2,0,0,0,0|2,0,0]=4 12324 B18R2.4544 CCSCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000757381 [0,2,0,0,0,0|1,0,0]=3 12325 B18R2.4544 CCSCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000757381 [0,2,0,0,0,0|1,0,0]=3 12326 B18R2.4544 CCSCCSc1cc2cc(ccc2cn1)F 62a_100000757381_100009828686 [0,2,0,0,0,0|1,1,0]=4 12327 B18R2.4544 CCSCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000757381 [0,2,0,0,0,0|1,1,0]=4 12328 B18R2.4544 CCSCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000757381_100009816120 [0,2,0,0,0,0|1,1,0]=4 12329 B18R2.4544 CCSCCSc1ccc2ccc(=O)oc2c1 62a_100000757381_100009993525 [0,2,0,0,0,0|1,1,0]=4 12330 B18R2.4544 CCSCCSc1ccc2ccc(cc2c1)N 62a_100000757381_100010090036 [0,2,0,0,0,0|0,1,0]=3 12331 B18R2.4544 CCSCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000757381 [0,2,0,0,0,0|0,1,0]=3 12332 B18R2.4544 CCSCCSc1ccc2ccc(cc2c1)O 62a_100000757381_100009816537 [0,2,0,0,0,0|0,1,0]=3 12333 B18R2.4544 CCSCCSc1ccc2ccc(cc2n1)O 62a_100000757381_100000079174 [0,2,0,0,0,0|1,1,0]=4 12334 B18R2.4544 CCSCCSc1ccc2ccc(nc2c1)C 62a_100000757381_100009817087 [0,2,0,0,0,0|1,1,0]=4 12335 B18R2.4544 CCSCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000757381 [0,2,0,0,0,0|1,1,0]=4 12336 B18R2.4544 CCSCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000757381 [0,2,0,0,0,0|1,1,0]=4 12337 B18R2.4544 CCSCCSc1ccc2ccc(nc2c1)O 62a_100000757381_100000690401 [0,2,0,0,0,0|1,1,0]=4 12338 B18R2.4544 CCSCCSc1ccc2cnc(cc2c1)F 62a_100000757381_100010291885 [0,2,0,0,0,0|1,1,0]=4 12339 B18R2.4544 CCSCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000757381 [0,2,0,0,0,0|1,1,0]=4 12340 B18R2.4544 CCSCCSc1ccc2cnc(cc2c1)N 62a_100000757381_100009817123 [0,2,0,0,0,0|1,1,0]=4 12341 B18R2.4544 CCSCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000757381 [0,2,0,0,0,0|1,1,0]=4 12342 B18R2.4544 CCSCCSc1ccc2cnc(cc2c1)O 62a_100000757381_100009817130 [0,2,0,0,0,0|1,1,0]=4 12343 B18R2.4544 CCSCCSc1ccc2ncc(cc2c1)Br 62a_100000757381_200010254249 [0,2,0,0,0,0|1,1,0]=4 12344 B18R2.4544 CCSCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000757381 [0,2,0,0,0,0|1,1,0]=4 12345 B18R2.4544 CCSCCSc1ccc2ncc(cc2c1)C 62a_100000757381_100009817055 [0,2,0,0,0,0|1,1,0]=4 12346 B18R2.4544 CCSCCSc1ccc2ncc(cc2c1)O 62a_100000757381_100000703654 [0,2,0,0,0,0|1,1,0]=4 12347 B18R2.4544 CCSCCSc1cnc2ccc(cc2c1)Br 62a_100000757381_100010740133 [0,2,0,0,0,0|1,1,0]=4 12348 B18R2.4544 CCSCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000757381 [0,2,0,0,0,0|1,1,0]=4 12349 B18R2.4544 CCSCCSc1cnc2ccc(cc2c1)C 62a_100000757381_100015841224 [0,2,0,0,0,0|1,1,0]=4 12350 B18R2.4544 CCSCCSc1cnc2ccc(cc2c1)Cl 62a_100000757381_100015929906 [0,2,0,0,0,0|1,1,0]=4 12351 B18R2.4544 CCSCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000757381 [0,2,0,0,0,0|1,1,0]=4 12352 B18R2.4544 CCSCCSc1cnc2ccc(cc2c1)N 62a_100000757381_100009888932 [0,2,0,0,0,0|1,1,0]=4 12353 B18R2.4544 CCSCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000757381 [0,2,0,0,0,0|1,1,0]=4 12354 B18R2.4544 CCSCCSc1cnc2ccc(cc2c1)O 62a_100000757381_100010137430 [0,2,0,0,0,0|1,1,0]=4 12355 B18R2.4544 COCCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000740836 [0,2,0,0,0,0|1,0,0]=3 12356 B18R2.4544 COCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000740836 [0,2,0,0,0,0|1,0,0]=3 12357 B18R2.4544 COCCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000740836 [0,2,0,0,0,0|1,0,0]=3 12358 B18R2.4544 COCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000740836 [0,2,0,0,0,0|1,0,0]=3 12359 B18R2.4544 COCCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000740836 [0,2,0,0,0,0|2,0,0]=4 12360 B18R2.4544 COCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000740836 [0,2,0,0,0,0|1,0,0]=3 12361 B18R2.4544 COCCCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000740836 [0,2,0,0,0,0|1,0,0]=3 12362 B18R2.4544 COCCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000740836 [0,2,0,0,0,0|1,0,0]=3 12363 B18R2.4544 COCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000740836 [0,2,0,0,0,0|0,0,0]=2 12364 B18R2.4544 COCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000740836 [0,2,0,0,0,0|0,0,0]=2 12365 B18R2.4544 COCCCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000740836 [0,2,0,0,0,0|0,0,0]=2 12366 B18R2.4544 COCCCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000740836 [0,2,0,0,0,0|0,0,0]=2 12367 B18R2.4544 COCCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000740836 [0,2,0,0,0,0|0,0,0]=2 12368 B18R2.4544 COCCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000740836 [0,2,0,0,0,0|0,0,0]=2 12369 B18R2.4544 COCCCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000740836 [0,2,0,0,0,0|1,0,0]=3 12370 B18R2.4544 COCCCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000740836 [0,2,0,0,0,0|1,0,0]=3 12371 B18R2.4544 COCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000740836 [0,2,0,0,0,0|1,0,0]=3 12372 B18R2.4544 COCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000740836 [0,2,0,0,0,0|1,0,0]=3 12373 B18R2.4544 COCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000740836 [0,2,0,0,0,0|1,0,0]=3 12374 B18R2.4544 COCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000740836 [0,2,0,0,0,0|1,0,0]=3 12375 B18R2.4544 COCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000740836 [0,2,0,0,0,0|1,0,0]=3 12376 B18R2.4544 COCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000740836 [0,2,0,0,0,0|1,0,0]=3 12377 B18R2.4544 COCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000740836 [0,2,0,0,0,0|1,0,0]=3 12378 B18R2.4544 COCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000740836 [0,2,0,0,0,0|1,0,0]=3 12379 B18R2.4544 COCCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000740836 [0,2,0,0,0,0|2,0,0]=4 12380 B18R2.4544 COCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000740836 [0,2,0,0,0,0|1,0,0]=3 12381 B18R2.4544 COCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000740836 [0,2,0,0,0,0|1,0,0]=3 12382 B18R2.4544 COCCCSc1cc2cc(ccc2cn1)F 62a_100000709357_100009828686 [0,2,0,0,0,0|1,1,0]=4 12383 B18R2.4544 COCCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000709357 [0,2,0,0,0,0|1,1,0]=4 12384 B18R2.4544 COCCCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000709357_100009816120 [0,2,0,0,0,0|1,1,0]=4 12385 B18R2.4544 COCCCSc1ccc2ccc(=O)oc2c1 62a_100000709357_100009993525 [0,2,0,0,0,0|1,1,0]=4 12386 B18R2.4544 COCCCSc1ccc2ccc(cc2c1)N 62a_100000709357_100010090036 [0,2,0,0,0,0|0,1,0]=3 12387 B18R2.4544 COCCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000709357 [0,2,0,0,0,0|0,1,0]=3 12388 B18R2.4544 COCCCSc1ccc2ccc(cc2c1)O 62a_100000709357_100009816537 [0,2,0,0,0,0|0,1,0]=3 12389 B18R2.4544 COCCCSc1ccc2ccc(cc2n1)O 62a_100000709357_100000079174 [0,2,0,0,0,0|1,1,0]=4 12390 B18R2.4544 COCCCSc1ccc2ccc(nc2c1)C 62a_100000709357_100009817087 [0,2,0,0,0,0|1,1,0]=4 12391 B18R2.4544 COCCCSc1ccc2ccc(nc2c1)C 62a_100009817087_100000709357 [0,2,0,0,0,0|1,1,0]=4 12392 B18R2.4544 COCCCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000709357 [0,2,0,0,0,0|1,1,0]=4 12393 B18R2.4544 COCCCSc1ccc2ccc(nc2c1)O 62a_100000709357_100000690401 [0,2,0,0,0,0|1,1,0]=4 12394 B18R2.4544 COCCCSc1ccc2cnc(cc2c1)F 62a_100000709357_100010291885 [0,2,0,0,0,0|1,1,0]=4 12395 B18R2.4544 COCCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000709357 [0,2,0,0,0,0|1,1,0]=4 12396 B18R2.4544 COCCCSc1ccc2cnc(cc2c1)N 62a_100000709357_100009817123 [0,2,0,0,0,0|1,1,0]=4 12397 B18R2.4544 COCCCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000709357 [0,2,0,0,0,0|1,1,0]=4 12398 B18R2.4544 COCCCSc1ccc2cnc(cc2c1)O 62a_100000709357_100009817130 [0,2,0,0,0,0|1,1,0]=4 12399 B18R2.4544 COCCCSc1ccc2ncc(cc2c1)Br 62a_100000709357_200010254249 [0,2,0,0,0,0|1,1,0]=4 12400 B18R2.4544 COCCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000709357 [0,2,0,0,0,0|1,1,0]=4 12401 B18R2.4544 COCCCSc1ccc2ncc(cc2c1)C 62a_100000709357_100009817055 [0,2,0,0,0,0|1,1,0]=4 12402 B18R2.4544 COCCCSc1ccc2ncc(cc2c1)O 62a_100000709357_100000703654 [0,2,0,0,0,0|1,1,0]=4 12403 B18R2.4544 COCCCSc1cnc2ccc(cc2c1)Br 62a_100000709357_100010740133 [0,2,0,0,0,0|1,1,0]=4 12404 B18R2.4544 COCCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000709357 [0,2,0,0,0,0|1,1,0]=4 12405 B18R2.4544 COCCCSc1cnc2ccc(cc2c1)C 62a_100000709357_100015841224 [0,2,0,0,0,0|1,1,0]=4 12406 B18R2.4544 COCCCSc1cnc2ccc(cc2c1)Cl 62a_100000709357_100015929906 [0,2,0,0,0,0|1,1,0]=4 12407 B18R2.4544 COCCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000709357 [0,2,0,0,0,0|1,1,0]=4 12408 B18R2.4544 COCCCSc1cnc2ccc(cc2c1)N 62a_100000709357_100009888932 [0,2,0,0,0,0|1,1,0]=4 12409 B18R2.4544 COCCCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000709357 [0,2,0,0,0,0|1,1,0]=4 12410 B18R2.4544 COCCCSc1cnc2ccc(cc2c1)O 62a_100000709357_100010137430 [0,2,0,0,0,0|1,1,0]=4 12411 B18R2.4544 COCCNCc1ccc2ccc(cc2c1)Br 207a_100000209980_100010200085 [0,2,0,0,0,0|2,0,0]=4 12412 B18R2.4544 COCCNCc1ccc2ccc(cc2c1)Br 270004a_100000209980_100010200085 [0,2,0,0,0,0|2,0,0]=4 12413 B18R2.4544 COCCOCc1ccc2ccc(cc2n1)Cl 34a_100000210237_100010196396 [0,2,0,0,0,0|2,0,0]=4 12414 B18R2.4544 CSCCNCc1ccc2ccc(cc2c1)Br 207a_100020590264_100010200085 [0,2,0,0,0,0|2,0,0]=4 12415 B18R2.4544 CSCCNCc1ccc2ccc(cc2c1)Br 270004a_100020590264_100010200085 [0,2,0,0,0,0|2,0,0]=4 12416 B18R2.4544 CSCCOCc1ccc2ccc(cc2n1)Cl 34a_100000230434_100010196396 [0,2,0,0,0,0|2,0,0]=4 12417 B18R2.4544 CSCCOCc1ccc2ccc(cc2n1)Cl 7a_100000230434_100010196396 [0,2,0,0,0,0|2,0,0]=4 12418 B18R2.4544 Cc1ccc2ccc(cc2c1)OCC#CCO 34a_100000091598_200000047223 [0,2,0,0,0,0|0,0,2]=4 12419 B18R2.4544 Cc1ccc2ccc(cc2c1)OCC#CCO 7a_100000091598_200000047223 [0,2,0,0,0,0|0,0,2]=4 12420 B18R2.4544 Cc1ccc2ccc(cc2c1)OCCCC#N 7a_100000091598_100000687738 [0,2,0,0,0,0|0,0,1]=3 12421 B18R2.4544 Cc1ccc2ccc(cc2c1)OCCCC=O 7a_100000091598_200011292268 [0,2,0,0,0,0|0,0,1]=3 12422 B18R2.4544 Cc1ccc2ccc(cc2c1)OCCCCF 34a_100000091598_100000729493 [0,2,0,0,0,0|0,0,0]=2 12423 B18R2.4544 Cc1ccc2ccc(cc2c1)OCCCCF 7a_100000091598_100000729493 [0,2,0,0,0,0|0,0,0]=2 12424 B18R2.4544 Cc1ccc2ccc(cc2c1)OCCCCO 34a_100000091598_100011216708 [0,2,0,0,0,0|0,0,0]=2 12425 B18R2.4544 Cc1ccc2ccc(cc2c1)OCCCCO 7a_100000091598_100000210776 [0,2,0,0,0,0|0,0,0]=2 12426 B18R2.4544 Cc1ccc2ccc(cc2n1)OCCCC#N 7a_100009867695_100000687738 [0,2,0,0,0,0|1,0,1]=4 12427 B18R2.4544 Cc1ccc2ccc(cc2n1)OCCCC=O 7a_100009867695_200011292268 [0,2,0,0,0,0|1,0,1]=4 12428 B18R2.4544 Cc1ccc2ccc(cc2n1)OCCCCF 34a_100009867695_100000729493 [0,2,0,0,0,0|1,0,0]=3 12429 B18R2.4544 Cc1ccc2ccc(cc2n1)OCCCCF 7a_100009867695_100000729493 [0,2,0,0,0,0|1,0,0]=3 12430 B18R2.4544 Cc1ccc2ccc(cc2n1)OCCCCO 34a_100009867695_100011216708 [0,2,0,0,0,0|1,0,0]=3 12431 B18R2.4544 Cc1ccc2ccc(cc2n1)OCCCCO 7a_100009867695_100000210776 [0,2,0,0,0,0|1,0,0]=3 12432 B18R2.4544 Cc1ccc2ccc(cc2n1)SCCCCF 62a_100000729493_100009817087 [0,2,0,0,0,0|1,1,0]=4 12433 B18R2.4544 Cc1ccc2ccc(cc2n1)SCCCCF 62a_100009817087_100000729493 [0,2,0,0,0,0|1,1,0]=4 12434 B18R2.4544 Cc1ccc2ccc(cc2n1)SCCCCO 62a_100000210776_100009817087 [0,2,0,0,0,0|1,1,0]=4 12435 B18R2.4544 Cc1ccc2ccc(cc2n1)SCCCCO 62a_100009817087_100000210776 [0,2,0,0,0,0|1,1,0]=4 12436 B18R2.4544 Cc1ccc2ncc(cc2c1)SCCCCF 62a_100000729493_100015841224 [0,2,0,0,0,0|1,1,0]=4 12437 B18R2.4544 Cc1ccc2ncc(cc2c1)SCCCCO 62a_100000210776_100015841224 [0,2,0,0,0,0|1,1,0]=4 12438 B18R2.4544 Cc1cnc2ccc(cc2c1)SCCCCF 62a_100000729493_100009817055 [0,2,0,0,0,0|1,1,0]=4 12439 B18R2.4544 Cc1cnc2ccc(cc2c1)SCCCCO 62a_100000210776_100009817055 [0,2,0,0,0,0|1,1,0]=4 12440 B18R2.4544 ClCCCOCc1ccc2ccc(cc2n1)Cl 34a_100000230001_100010196396 [0,2,0,0,0,0|2,0,0]=4 12441 B18R2.4544 Clc1ccc2ccc(nc2c1)COCCCBr 34a_100011217188_100010196396 [0,2,0,0,0,0|2,0,0]=4 12442 B18R2.4544 FCCCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000729493 [0,2,0,0,0,0|1,0,0]=3 12443 B18R2.4544 FCCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000729493 [0,2,0,0,0,0|1,0,0]=3 12444 B18R2.4544 FCCCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000729493 [0,2,0,0,0,0|2,0,0]=4 12445 B18R2.4544 FCCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000729493 [0,2,0,0,0,0|1,0,0]=3 12446 B18R2.4544 FCCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000729493 [0,2,0,0,0,0|0,0,0]=2 12447 B18R2.4544 FCCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000729493 [0,2,0,0,0,0|0,0,0]=2 12448 B18R2.4544 FCCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000729493 [0,2,0,0,0,0|1,0,0]=3 12449 B18R2.4544 FCCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000729493 [0,2,0,0,0,0|1,0,0]=3 12450 B18R2.4544 FCCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000729493 [0,2,0,0,0,0|1,0,0]=3 12451 B18R2.4544 FCCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000729493 [0,2,0,0,0,0|1,0,0]=3 12452 B18R2.4544 FCCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000729493 [0,2,0,0,0,0|1,0,0]=3 12453 B18R2.4544 FCCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000729493 [0,2,0,0,0,0|1,0,0]=3 12454 B18R2.4544 FCCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000729493 [0,2,0,0,0,0|1,0,0]=3 12455 B18R2.4544 FCCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000729493 [0,2,0,0,0,0|1,0,0]=3 12456 B18R2.4544 FCCCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000729493 [0,2,0,0,0,0|2,0,0]=4 12457 B18R2.4544 FCCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000729493 [0,2,0,0,0,0|1,0,0]=3 12458 B18R2.4544 FCCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000729493 [0,2,0,0,0,0|1,0,0]=3 12459 B18R2.4544 FCCCCSc1cc2cc(ccc2cn1)F 62a_100000729493_100009828686 [0,2,0,0,0,0|1,1,0]=4 12460 B18R2.4544 FCCCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000729493 [0,2,0,0,0,0|1,1,0]=4 12461 B18R2.4544 FCCCCSc1ccc2cnc(cc2c1)F 62a_100000729493_100010291885 [0,2,0,0,0,0|1,1,0]=4 12462 B18R2.4544 FCCCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000729493 [0,2,0,0,0,0|1,1,0]=4 12463 B18R2.4544 FCCCCSc1ccc2ncc(cc2c1)Br 62a_100000729493_200010254249 [0,2,0,0,0,0|1,1,0]=4 12464 B18R2.4544 FCCCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000729493 [0,2,0,0,0,0|1,1,0]=4 12465 B18R2.4544 FCCCCSc1cnc2ccc(cc2c1)Br 62a_100000729493_100010740133 [0,2,0,0,0,0|1,1,0]=4 12466 B18R2.4544 FCCCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000729493 [0,2,0,0,0,0|1,1,0]=4 12467 B18R2.4544 FCCCCSc1cnc2ccc(cc2c1)Cl 62a_100000729493_100015929906 [0,2,0,0,0,0|1,1,0]=4 12468 B18R2.4544 FCCCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000729493 [0,2,0,0,0,0|1,1,0]=4 12469 B18R2.4544 FCCCNCc1ccc2ccc(cc2c1)Br 207a_100015189416_100010200085 [0,2,0,0,0,0|2,0,0]=4 12470 B18R2.4544 FCCCNCc1ccc2ccc(cc2c1)Br 270004a_100015189416_100010200085 [0,2,0,0,0,0|2,0,0]=4 12471 B18R2.4544 FCCCOCc1ccc2ccc(cc2n1)Cl 34a_100000759539_100010196396 [0,2,0,0,0,0|2,0,0]=4 12472 B18R2.4544 N#CCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000687738 [0,2,0,0,0,0|1,0,1]=4 12473 B18R2.4544 N#CCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000687738 [0,2,0,0,0,0|1,0,1]=4 12474 B18R2.4544 N#CCCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000687738 [0,2,0,0,0,0|1,0,1]=4 12475 B18R2.4544 N#CCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000687738 [0,2,0,0,0,0|0,0,1]=3 12476 B18R2.4544 N#CCCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000687738 [0,2,0,0,0,0|0,0,1]=3 12477 B18R2.4544 N#CCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000687738 [0,2,0,0,0,0|1,0,1]=4 12478 B18R2.4544 N#CCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000687738 [0,2,0,0,0,0|1,0,1]=4 12479 B18R2.4544 N#CCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000687738 [0,2,0,0,0,0|1,0,1]=4 12480 B18R2.4544 N#CCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000687738 [0,2,0,0,0,0|1,0,1]=4 12481 B18R2.4544 N#CCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000687738 [0,2,0,0,0,0|1,0,1]=4 12482 B18R2.4544 N#CCCCSc1ccc2ccc(cc2c1)N 62a_100000687738_100010090036 [0,2,0,0,0,0|0,1,1]=4 12483 B18R2.4544 N#CCCCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000687738 [0,2,0,0,0,0|0,1,1]=4 12484 B18R2.4544 N#CCCCSc1ccc2ccc(cc2c1)O 62a_100000687738_100009816537 [0,2,0,0,0,0|0,1,1]=4 12485 B18R2.4544 NCCCOCc1ccc2ccc(cc2n1)Cl 34a_100000182051_100010196396 [0,2,0,0,0,0|2,0,0]=4 12486 B18R2.4544 Nc1cc2cc(ccc2cn1)SCCCCF 62a_100000729493_100009817123 [0,2,0,0,0,0|1,1,0]=4 12487 B18R2.4544 Nc1cc2cc(ccc2cn1)SCCCCF 62a_100009817123_100000729493 [0,2,0,0,0,0|1,1,0]=4 12488 B18R2.4544 Nc1cc2cc(ccc2cn1)SCCCCO 62a_100000210776_100009817123 [0,2,0,0,0,0|1,1,0]=4 12489 B18R2.4544 Nc1cc2cc(ccc2cn1)SCCCCO 62a_100009817123_100000210776 [0,2,0,0,0,0|1,1,0]=4 12490 B18R2.4544 Nc1ccc2ccc(cc2c1)OCC#CCO 34a_100015378740_200000047223 [0,2,0,0,0,0|0,0,2]=4 12491 B18R2.4544 Nc1ccc2ccc(cc2c1)OCC#CCO 7a_100015378740_200000047223 [0,2,0,0,0,0|0,0,2]=4 12492 B18R2.4544 Nc1ccc2ccc(cc2c1)OCCCC=O 7a_100015378740_200011292268 [0,2,0,0,0,0|0,0,1]=3 12493 B18R2.4544 Nc1ccc2ccc(cc2c1)OCCCCF 34a_100015378740_100000729493 [0,2,0,0,0,0|0,0,0]=2 12494 B18R2.4544 Nc1ccc2ccc(cc2c1)OCCCCF 7a_100015378740_100000729493 [0,2,0,0,0,0|0,0,0]=2 12495 B18R2.4544 Nc1ccc2ccc(cc2c1)OCCCCO 34a_100015378740_100011216708 [0,2,0,0,0,0|0,0,0]=2 12496 B18R2.4544 Nc1ccc2ccc(cc2c1)OCCCCO 7a_100015378740_100000210776 [0,2,0,0,0,0|0,0,0]=2 12497 B18R2.4544 Nc1ccc2ccc(cc2c1)SCCCC=O 62a_100010090036_200011292268 [0,2,0,0,0,0|0,1,1]=4 12498 B18R2.4544 Nc1ccc2ccc(cc2c1)SCCCC=O 62a_200011292268_100010090036 [0,2,0,0,0,0|0,1,1]=4 12499 B18R2.4544 Nc1ccc2ccc(cc2c1)SCCCCF 62a_100000729493_100010090036 [0,2,0,0,0,0|0,1,0]=3 12500 B18R2.4544 Nc1ccc2ccc(cc2c1)SCCCCF 62a_100010090036_100000729493 [0,2,0,0,0,0|0,1,0]=3 12501 B18R2.4544 Nc1ccc2ccc(cc2c1)SCCCCO 62a_100000210776_100010090036 [0,2,0,0,0,0|0,1,0]=3 12502 B18R2.4544 Nc1ccc2ccc(cc2c1)SCCCCO 62a_100010090036_100000210776 [0,2,0,0,0,0|0,1,0]=3 12503 B18R2.4544 Nc1ccc2ccc(cc2n1)SCCCCF 62a_100010187616_100000729493 [0,2,0,0,0,0|1,1,0]=4 12504 B18R2.4544 Nc1ccc2ccc(cc2n1)SCCCCO 62a_100010187616_100000210776 [0,2,0,0,0,0|1,1,0]=4 12505 B18R2.4544 Nc1ccc2ncc(cc2c1)SCCCCF 62a_100000729493_100009888932 [0,2,0,0,0,0|1,1,0]=4 12506 B18R2.4544 Nc1ccc2ncc(cc2c1)SCCCCF 62a_100009888932_100000729493 [0,2,0,0,0,0|1,1,0]=4 12507 B18R2.4544 Nc1ccc2ncc(cc2c1)SCCCCO 62a_100000210776_100009888932 [0,2,0,0,0,0|1,1,0]=4 12508 B18R2.4544 Nc1ccc2ncc(cc2c1)SCCCCO 62a_100009888932_100000210776 [0,2,0,0,0,0|1,1,0]=4 12509 B18R2.4544 O=CCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_200011292268 [0,2,0,0,0,0|1,0,1]=4 12510 B18R2.4544 O=CCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_200011292268 [0,2,0,0,0,0|1,0,1]=4 12511 B18R2.4544 O=CCCCOc1ccc2ccc(=O)oc2c1 7a_100000185914_200011292268 [0,2,0,0,0,0|1,0,1]=4 12512 B18R2.4544 O=CCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_200011292268 [0,2,0,0,0,0|0,0,1]=3 12513 B18R2.4544 O=CCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_200011292268 [0,2,0,0,0,0|1,0,1]=4 12514 B18R2.4544 O=CCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_200011292268 [0,2,0,0,0,0|1,0,1]=4 12515 B18R2.4544 O=CCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_200011292268 [0,2,0,0,0,0|1,0,1]=4 12516 B18R2.4544 O=CCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_200011292268 [0,2,0,0,0,0|1,0,1]=4 12517 B18R2.4544 O=CCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_200011292268 [0,2,0,0,0,0|1,0,1]=4 12518 B18R2.4544 O=CCCCSc1ccc2ccc(cc2c1)O 62a_200011292268_100009816537 [0,2,0,0,0,0|0,1,1]=4 12519 B18R2.4544 O=c1ccc2ccc(cc2o1)OCCCCF 34a_100000185914_100000729493 [0,2,0,0,0,0|1,0,0]=3 12520 B18R2.4544 O=c1ccc2ccc(cc2o1)OCCCCF 7a_100000185914_100000729493 [0,2,0,0,0,0|1,0,0]=3 12521 B18R2.4544 O=c1ccc2ccc(cc2o1)OCCCCO 34a_100000185914_100011216708 [0,2,0,0,0,0|1,0,0]=3 12522 B18R2.4544 O=c1ccc2ccc(cc2o1)OCCCCO 7a_100000185914_100000210776 [0,2,0,0,0,0|1,0,0]=3 12523 B18R2.4544 O=c1ccc2ccc(cc2o1)SCCCCF 62a_100000729493_100009993525 [0,2,0,0,0,0|1,1,0]=4 12524 B18R2.4544 O=c1ccc2ccc(cc2o1)SCCCCO 62a_100000210776_100009993525 [0,2,0,0,0,0|1,1,0]=4 12525 B18R2.4544 OCC#CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_200000047223 [0,2,0,0,0,0|0,0,2]=4 12526 B18R2.4544 OCC#CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_200000047223 [0,2,0,0,0,0|0,0,2]=4 12527 B18R2.4544 OCCCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011216708 [0,2,0,0,0,0|1,0,0]=3 12528 B18R2.4544 OCCCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210776 [0,2,0,0,0,0|1,0,0]=3 12529 B18R2.4544 OCCCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100011216708 [0,2,0,0,0,0|1,0,0]=3 12530 B18R2.4544 OCCCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210776 [0,2,0,0,0,0|1,0,0]=3 12531 B18R2.4544 OCCCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100011216708 [0,2,0,0,0,0|2,0,0]=4 12532 B18R2.4544 OCCCCOc1cc2cc(ccc2cn1)F 34a_200000101709_100011216708 [0,2,0,0,0,0|1,0,0]=3 12533 B18R2.4544 OCCCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100011216708 [0,2,0,0,0,0|0,0,0]=2 12534 B18R2.4544 OCCCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210776 [0,2,0,0,0,0|0,0,0]=2 12535 B18R2.4544 OCCCCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100011216708 [0,2,0,0,0,0|1,0,0]=3 12536 B18R2.4544 OCCCCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210776 [0,2,0,0,0,0|1,0,0]=3 12537 B18R2.4544 OCCCCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100011216708 [0,2,0,0,0,0|1,0,0]=3 12538 B18R2.4544 OCCCCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210776 [0,2,0,0,0,0|1,0,0]=3 12539 B18R2.4544 OCCCCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100011216708 [0,2,0,0,0,0|1,0,0]=3 12540 B18R2.4544 OCCCCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210776 [0,2,0,0,0,0|1,0,0]=3 12541 B18R2.4544 OCCCCOc1ccc2ncc(cc2c1)F 34a_100009845357_100011216708 [0,2,0,0,0,0|1,0,0]=3 12542 B18R2.4544 OCCCCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210776 [0,2,0,0,0,0|1,0,0]=3 12543 B18R2.4544 OCCCCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100011216708 [0,2,0,0,0,0|2,0,0]=4 12544 B18R2.4544 OCCCCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100011216708 [0,2,0,0,0,0|1,0,0]=3 12545 B18R2.4544 OCCCCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210776 [0,2,0,0,0,0|1,0,0]=3 12546 B18R2.4544 OCCCCSc1cc2cc(ccc2cn1)F 62a_100000210776_100009828686 [0,2,0,0,0,0|1,1,0]=4 12547 B18R2.4544 OCCCCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210776 [0,2,0,0,0,0|1,1,0]=4 12548 B18R2.4544 OCCCCSc1ccc2ccc(cc2c1)O 62a_100000210776_100009816537 [0,2,0,0,0,0|0,1,0]=3 12549 B18R2.4544 OCCCCSc1ccc2ccc(cc2n1)O 62a_100000210776_100000079174 [0,2,0,0,0,0|1,1,0]=4 12550 B18R2.4544 OCCCCSc1ccc2ccc(nc2c1)O 62a_100000210776_100000690401 [0,2,0,0,0,0|1,1,0]=4 12551 B18R2.4544 OCCCCSc1ccc2cnc(cc2c1)F 62a_100000210776_100010291885 [0,2,0,0,0,0|1,1,0]=4 12552 B18R2.4544 OCCCCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210776 [0,2,0,0,0,0|1,1,0]=4 12553 B18R2.4544 OCCCCSc1ccc2cnc(cc2c1)O 62a_100000210776_100009817130 [0,2,0,0,0,0|1,1,0]=4 12554 B18R2.4544 OCCCCSc1ccc2ncc(cc2c1)Br 62a_100000210776_200010254249 [0,2,0,0,0,0|1,1,0]=4 12555 B18R2.4544 OCCCCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210776 [0,2,0,0,0,0|1,1,0]=4 12556 B18R2.4544 OCCCCSc1ccc2ncc(cc2c1)O 62a_100000210776_100000703654 [0,2,0,0,0,0|1,1,0]=4 12557 B18R2.4544 OCCCCSc1cnc2ccc(cc2c1)Br 62a_100000210776_100010740133 [0,2,0,0,0,0|1,1,0]=4 12558 B18R2.4544 OCCCCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100000210776 [0,2,0,0,0,0|1,1,0]=4 12559 B18R2.4544 OCCCCSc1cnc2ccc(cc2c1)Cl 62a_100000210776_100015929906 [0,2,0,0,0,0|1,1,0]=4 12560 B18R2.4544 OCCCCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100000210776 [0,2,0,0,0,0|1,1,0]=4 12561 B18R2.4544 OCCCCSc1cnc2ccc(cc2c1)O 62a_100000210776_100010137430 [0,2,0,0,0,0|1,1,0]=4 12562 B18R2.4544 OCCCNCc1ccc2ccc(cc2c1)Br 207a_100000182051_100010200085 [0,2,0,0,0,0|2,0,0]=4 12563 B18R2.4544 OCCCNCc1ccc2ccc(cc2c1)Br 270004a_100000182051_100010200085 [0,2,0,0,0,0|2,0,0]=4 12564 B18R2.4544 Oc1cc2cc(ccc2cn1)SCCCCF 62a_100000729493_100009817130 [0,2,0,0,0,0|1,1,0]=4 12565 B18R2.4544 Oc1ccc2ccc(cc2c1)NCCCCF 34a_100015378740_100000729493 [0,2,0,0,0,0|1,0,0]=3 12566 B18R2.4544 Oc1ccc2ccc(cc2c1)NCCCCF 7a_100015378740_100000729493 [0,2,0,0,0,0|1,0,0]=3 12567 B18R2.4544 Oc1ccc2ccc(cc2c1)SCCCCF 62a_100000729493_100009816537 [0,2,0,0,0,0|0,1,0]=3 12568 B18R2.4544 Oc1ccc2ccc(cc2n1)SCCCCF 62a_100000729493_100000690401 [0,2,0,0,0,0|1,1,0]=4 12569 B18R2.4544 Oc1ccc2ccc(nc2c1)SCCCCF 62a_100000729493_100000079174 [0,2,0,0,0,0|1,1,0]=4 12570 B18R2.4544 Oc1ccc2ncc(cc2c1)SCCCCF 62a_100000729493_100010137430 [0,2,0,0,0,0|1,1,0]=4 12571 B18R2.4544 Oc1cnc2ccc(cc2c1)SCCCCF 62a_100000729493_100000703654 [0,2,0,0,0,0|1,1,0]=4 12572 B18R2.4544 [O-][n+]1ccc2ccc(cc2c1)SCCCCF 62a_100000729493_100009816120 [0,2,0,0,0,0|1,1,0]=4 12573 B18R2.4544 [O-][n+]1ccc2ccc(cc2c1)SCCCCO 62a_100000210776_100009816120 [0,2,0,0,0,0|1,1,0]=4 12574 B18R2.18485 CCCCSc1cc2cc(cnc2cc1F)N 62a_100000210211_100021278121 [0,2,0,0,0,0|1,1,0]=4 12575 B18R2.18485 CCCCSc1cc2cc(cnc2cc1F)N 62a_100021278121_100000210210 [0,2,0,0,0,0|1,1,0]=4 12576 B18R2.31386 C=C(C)CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000730704 [0,2,0,0,0,0|1,0,1]=4 12577 B18R2.31386 C=C(C)CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000730704 [0,2,0,0,0,0|1,0,1]=4 12578 B18R2.31386 C=C(C)CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000730704 [0,2,0,0,0,0|1,0,1]=4 12579 B18R2.31386 C=C(C)CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000730704 [0,2,0,0,0,0|1,0,1]=4 12580 B18R2.31386 C=C(C)CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000730704 [0,2,0,0,0,0|1,0,1]=4 12581 B18R2.31386 C=C(C)CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000730704 [0,2,0,0,0,0|1,0,1]=4 12582 B18R2.31386 C=C(C)CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000730704 [0,2,0,0,0,0|1,0,1]=4 12583 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000730704 [0,2,0,0,0,0|0,0,1]=3 12584 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000730704 [0,2,0,0,0,0|0,0,1]=3 12585 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000730704 [0,2,0,0,0,0|0,0,1]=3 12586 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000730704 [0,2,0,0,0,0|0,0,1]=3 12587 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000730704 [0,2,0,0,0,0|0,0,1]=3 12588 B18R2.31386 C=C(C)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000730704 [0,2,0,0,0,0|0,0,1]=3 12589 B18R2.31386 C=C(C)CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000730704 [0,2,0,0,0,0|1,0,1]=4 12590 B18R2.31386 C=C(C)CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000730704 [0,2,0,0,0,0|1,0,1]=4 12591 B18R2.31386 C=C(C)CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000730704 [0,2,0,0,0,0|1,0,1]=4 12592 B18R2.31386 C=C(C)CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000730704 [0,2,0,0,0,0|1,0,1]=4 12593 B18R2.31386 C=C(C)CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000730704 [0,2,0,0,0,0|1,0,1]=4 12594 B18R2.31386 C=C(C)CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000730704 [0,2,0,0,0,0|1,0,1]=4 12595 B18R2.31386 C=C(C)CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000730704 [0,2,0,0,0,0|1,0,1]=4 12596 B18R2.31386 C=C(C)CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000730704 [0,2,0,0,0,0|1,0,1]=4 12597 B18R2.31386 C=C(C)CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000730704 [0,2,0,0,0,0|1,0,1]=4 12598 B18R2.31386 C=C(C)CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000730704 [0,2,0,0,0,0|1,0,1]=4 12599 B18R2.31386 C=C(C)CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000730704 [0,2,0,0,0,0|1,0,1]=4 12600 B18R2.31386 C=C(C)CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000730704 [0,2,0,0,0,0|1,0,1]=4 12601 B18R2.31386 C=C(C)CCSc1ccc2ccc(cc2c1)N 62a_100000730704_100010090036 [0,2,0,0,0,0|0,1,1]=4 12602 B18R2.31386 C=C(C)CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000730704 [0,2,0,0,0,0|0,1,1]=4 12603 B18R2.31386 C=C(C)CCSc1ccc2ccc(cc2c1)O 62a_100000730704_100009816537 [0,2,0,0,0,0|0,1,1]=4 12604 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)Br)C 34a_100009816537_100000761012 [0,2,0,0,0,0|0,0,2]=4 12605 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)Br)C 7a_100009816537_100000761012 [0,2,0,0,0,0|0,0,2]=4 12606 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)C)C 34a_100000091598_100000761012 [0,2,0,0,0,0|0,0,2]=4 12607 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)C)C 7a_100000091598_100000761012 [0,2,0,0,0,0|0,0,2]=4 12608 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)N)C 34a_100015378740_100000761012 [0,2,0,0,0,0|0,0,2]=4 12609 B18R2.31386 CC(=CCOc1ccc2ccc(cc2c1)N)C 7a_100015378740_100000761012 [0,2,0,0,0,0|0,0,2]=4 12610 B18R2.31386 CC(=O)CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000053229 [0,2,0,0,0,0|1,0,1]=4 12611 B18R2.31386 CC(=O)CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000053229 [0,2,0,0,0,0|1,0,1]=4 12612 B18R2.31386 CC(=O)CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000053229 [0,2,0,0,0,0|1,0,1]=4 12613 B18R2.31386 CC(=O)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000053229 [0,2,0,0,0,0|0,0,1]=3 12614 B18R2.31386 CC(=O)CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000053229 [0,2,0,0,0,0|0,0,1]=3 12615 B18R2.31386 CC(=O)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000053229 [0,2,0,0,0,0|0,0,1]=3 12616 B18R2.31386 CC(=O)CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000053229 [0,2,0,0,0,0|1,0,1]=4 12617 B18R2.31386 CC(=O)CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000053229 [0,2,0,0,0,0|1,0,1]=4 12618 B18R2.31386 CC(=O)CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000053229 [0,2,0,0,0,0|1,0,1]=4 12619 B18R2.31386 CC(=O)CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000053229 [0,2,0,0,0,0|1,0,1]=4 12620 B18R2.31386 CC(=O)CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000053229 [0,2,0,0,0,0|1,0,1]=4 12621 B18R2.31386 CC(=O)CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000053229 [0,2,0,0,0,0|1,0,1]=4 12622 B18R2.31386 CC(=O)CCSc1ccc2ccc(cc2c1)N 62a_100000053229_100010090036 [0,2,0,0,0,0|0,1,1]=4 12623 B18R2.31386 CC(=O)CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000053229 [0,2,0,0,0,0|0,1,1]=4 12624 B18R2.31386 CC(=O)CCSc1ccc2ccc(cc2c1)O 62a_100000053229_100009816537 [0,2,0,0,0,0|0,1,1]=4 12625 B18R2.31386 CC(=O)OCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100009813279 [0,2,0,0,0,0|1,0,1]=4 12626 B18R2.31386 CC(=O)OCOc1ccc2ccc(cc2c1)C 34a_100000091598_100009813279 [0,2,0,0,0,0|1,0,1]=4 12627 B18R2.31386 CC(=O)OCOc1ccc2ccc(cc2c1)N 34a_100015378740_100009813279 [0,2,0,0,0,0|1,0,1]=4 12628 B18R2.31386 CC(C)CC=Cc1ccc2ccc(cc2c1)N 271570a_100016259101_100010090036 [0,2,0,0,0,0|1,0,1]=4 12629 B18R2.31386 CC(C)CC=Cc1ccc2ccc(cc2c1)O 271570a_100016259101_100009816537 [0,2,0,0,0,0|1,0,1]=4 12630 B18R2.31386 CC(C)CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210312 [0,2,0,0,0,0|1,0,0]=3 12631 B18R2.31386 CC(C)CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210626 [0,2,0,0,0,0|1,0,0]=3 12632 B18R2.31386 CC(C)CCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210312 [0,2,0,0,0,0|2,0,0]=4 12633 B18R2.31386 CC(C)CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210312 [0,2,0,0,0,0|1,0,0]=3 12634 B18R2.31386 CC(C)CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210312 [0,2,0,0,0,0|1,0,0]=3 12635 B18R2.31386 CC(C)CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210626 [0,2,0,0,0,0|1,0,0]=3 12636 B18R2.31386 CC(C)CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210312 [0,2,0,0,0,0|0,0,0]=2 12637 B18R2.31386 CC(C)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210626 [0,2,0,0,0,0|0,0,0]=2 12638 B18R2.31386 CC(C)CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210312 [0,2,0,0,0,0|1,0,0]=3 12639 B18R2.31386 CC(C)CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210626 [0,2,0,0,0,0|1,0,0]=3 12640 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210312 [0,2,0,0,0,0|1,0,0]=3 12641 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210626 [0,2,0,0,0,0|1,0,0]=3 12642 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210312 [0,2,0,0,0,0|1,0,0]=3 12643 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210626 [0,2,0,0,0,0|1,0,0]=3 12644 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210312 [0,2,0,0,0,0|1,0,0]=3 12645 B18R2.31386 CC(C)CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210626 [0,2,0,0,0,0|1,0,0]=3 12646 B18R2.31386 CC(C)CCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210312 [0,2,0,0,0,0|2,0,0]=4 12647 B18R2.31386 CC(C)CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210312 [0,2,0,0,0,0|1,0,0]=3 12648 B18R2.31386 CC(C)CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210626 [0,2,0,0,0,0|1,0,0]=3 12649 B18R2.31386 CC(C)CCSc1cc2cc(ccc2cn1)F 62a_100000210312_100009828686 [0,2,0,0,0,0|1,1,0]=4 12650 B18R2.31386 CC(C)CCSc1cc2cc(ccc2cn1)F 62a_100009828686_100000210312 [0,2,0,0,0,0|1,1,0]=4 12651 B18R2.31386 CC(C)CCSc1ccc2cc[n+](cc2c1)[O-] 62a_100000210312_100009816120 [0,2,0,0,0,0|1,1,0]=4 12652 B18R2.31386 CC(C)CCSc1ccc2ccc(=O)oc2c1 62a_100000210312_100009993525 [0,2,0,0,0,0|1,1,0]=4 12653 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2c1)N 62a_100000210312_100010090036 [0,2,0,0,0,0|0,1,0]=3 12654 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210312 [0,2,0,0,0,0|0,1,0]=3 12655 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2c1)O 62a_100000210312_100009816537 [0,2,0,0,0,0|0,1,0]=3 12656 B18R2.31386 CC(C)CCSc1ccc2ccc(cc2n1)O 62a_100000210312_100000079174 [0,2,0,0,0,0|1,1,0]=4 12657 B18R2.31386 CC(C)CCSc1ccc2ccc(nc2c1)N 62a_100010187616_100000210312 [0,2,0,0,0,0|1,1,0]=4 12658 B18R2.31386 CC(C)CCSc1ccc2ccc(nc2c1)O 62a_100000210312_100000690401 [0,2,0,0,0,0|1,1,0]=4 12659 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)F 62a_100000210312_100010291885 [0,2,0,0,0,0|1,1,0]=4 12660 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)F 62a_100010291885_100000210312 [0,2,0,0,0,0|1,1,0]=4 12661 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)N 62a_100000210312_100009817123 [0,2,0,0,0,0|1,1,0]=4 12662 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)N 62a_100009817123_100000210312 [0,2,0,0,0,0|1,1,0]=4 12663 B18R2.31386 CC(C)CCSc1ccc2cnc(cc2c1)O 62a_100000210312_100009817130 [0,2,0,0,0,0|1,1,0]=4 12664 B18R2.31386 CC(C)CCSc1ccc2ncc(cc2c1)O 62a_100000210312_100000703654 [0,2,0,0,0,0|1,1,0]=4 12665 B18R2.31386 CC(C)CCSc1cnc2ccc(cc2c1)N 62a_100000210312_100009888932 [0,2,0,0,0,0|1,1,0]=4 12666 B18R2.31386 CC(C)CCSc1cnc2ccc(cc2c1)N 62a_100009888932_100000210312 [0,2,0,0,0,0|1,1,0]=4 12667 B18R2.31386 CC(C)CCSc1cnc2ccc(cc2c1)O 62a_100000210312_100010137430 [0,2,0,0,0,0|1,1,0]=4 12668 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2c1)Br 207a_100000210953_100010200085 [0,2,0,0,0,0|2,0,0]=4 12669 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2c1)Br 26a_100000210953_100009816537 [0,2,0,0,0,0|2,0,0]=4 12670 B18R2.31386 CC(C)CNCc1ccc2ccc(cc2c1)Br 270004a_100000210953_100010200085 [0,2,0,0,0,0|2,0,0]=4 12671 B18R2.31386 CC(C)OCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000709892 [0,2,0,0,0,0|2,0,0]=4 12672 B18R2.31386 CC(C)OCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000709892 [0,2,0,0,0,0|2,0,0]=4 12673 B18R2.31386 CC(C)OCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000709892 [0,2,0,0,0,0|2,0,0]=4 12674 B18R2.31386 CC(C)OCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000709892 [0,2,0,0,0,0|2,0,0]=4 12675 B18R2.31386 CC(C)OCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000709892 [0,2,0,0,0,0|1,0,0]=3 12676 B18R2.31386 CC(C)OCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000709892 [0,2,0,0,0,0|1,0,0]=3 12677 B18R2.31386 CC(C)OCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000709892 [0,2,0,0,0,0|2,0,0]=4 12678 B18R2.31386 CC(C)OCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000709892 [0,2,0,0,0,0|2,0,0]=4 12679 B18R2.31386 CC(C)OCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000709892 [0,2,0,0,0,0|2,0,0]=4 12680 B18R2.31386 CC(C)OCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000709892 [0,2,0,0,0,0|2,0,0]=4 12681 B18R2.31386 CC(C)OCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000709892 [0,2,0,0,0,0|2,0,0]=4 12682 B18R2.31386 CC(C)OCSc1ccc2ccc(cc2c1)N 62a_100000709892_100010090036 [0,2,0,0,0,0|1,1,0]=4 12683 B18R2.31386 CC(C)OCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000709892 [0,2,0,0,0,0|1,1,0]=4 12684 B18R2.31386 CC(C)OCSc1ccc2ccc(cc2c1)O 62a_100000709892_100009816537 [0,2,0,0,0,0|1,1,0]=4 12685 B18R2.31386 CC(O)CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100012276601 [0,2,0,0,0,0|1,0,0]=3 12686 B18R2.31386 CC(O)CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100012276601 [0,2,0,0,0,0|1,0,0]=3 12687 B18R2.31386 CC(O)CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100012276601 [0,2,0,0,0,0|1,0,0]=3 12688 B18R2.31386 CC(O)CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100012276601 [0,2,0,0,0,0|1,0,0]=3 12689 B18R2.31386 CC(O)CCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100012276601 [0,2,0,0,0,0|2,0,0]=4 12690 B18R2.31386 CC(O)CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100012276601 [0,2,0,0,0,0|1,0,0]=3 12691 B18R2.31386 CC(O)CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100012276601 [0,2,0,0,0,0|1,0,0]=3 12692 B18R2.31386 CC(O)CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100012276601 [0,2,0,0,0,0|1,0,0]=3 12693 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100012276601 [0,2,0,0,0,0|0,0,0]=2 12694 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100012276601 [0,2,0,0,0,0|0,0,0]=2 12695 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100012276601 [0,2,0,0,0,0|0,0,0]=2 12696 B18R2.31386 CC(O)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100012276601 [0,2,0,0,0,0|0,0,0]=2 12697 B18R2.31386 CC(O)CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100012276601 [0,2,0,0,0,0|1,0,0]=3 12698 B18R2.31386 CC(O)CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100012276601 [0,2,0,0,0,0|1,0,0]=3 12699 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100012276601 [0,2,0,0,0,0|1,0,0]=3 12700 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100012276601 [0,2,0,0,0,0|1,0,0]=3 12701 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100012276601 [0,2,0,0,0,0|1,0,0]=3 12702 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100012276601 [0,2,0,0,0,0|1,0,0]=3 12703 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100012276601 [0,2,0,0,0,0|1,0,0]=3 12704 B18R2.31386 CC(O)CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100012276601 [0,2,0,0,0,0|1,0,0]=3 12705 B18R2.31386 CC(O)CCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100012276601 [0,2,0,0,0,0|2,0,0]=4 12706 B18R2.31386 CC(O)CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100012276601 [0,2,0,0,0,0|1,0,0]=3 12707 B18R2.31386 CC(O)CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100012276601 [0,2,0,0,0,0|1,0,0]=3 12708 B18R2.31386 CC(O)CCSc1cc2cc(ccc2cn1)F 62a_100009828686_100012276601 [0,2,0,0,0,0|1,1,0]=4 12709 B18R2.31386 CC(O)CCSc1cc2cc(ccc2cn1)F 62a_100012276601_100009828686 [0,2,0,0,0,0|1,1,0]=4 12710 B18R2.31386 CC(O)CCSc1ccc2cc[n+](cc2c1)[O-] 62a_100012276601_100009816120 [0,2,0,0,0,0|1,1,0]=4 12711 B18R2.31386 CC(O)CCSc1ccc2ccc(=O)oc2c1 62a_100012276601_100009993525 [0,2,0,0,0,0|1,1,0]=4 12712 B18R2.31386 CC(O)CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100012276601 [0,2,0,0,0,0|0,1,0]=3 12713 B18R2.31386 CC(O)CCSc1ccc2ccc(cc2c1)N 62a_100012276601_100010090036 [0,2,0,0,0,0|0,1,0]=3 12714 B18R2.31386 CC(O)CCSc1ccc2ccc(cc2c1)O 62a_100012276601_100009816537 [0,2,0,0,0,0|0,1,0]=3 12715 B18R2.31386 CC(O)CCSc1ccc2ccc(cc2n1)O 62a_100012276601_100000079174 [0,2,0,0,0,0|1,1,0]=4 12716 B18R2.31386 CC(O)CCSc1ccc2ccc(nc2c1)N 62a_100010187616_100012276601 [0,2,0,0,0,0|1,1,0]=4 12717 B18R2.31386 CC(O)CCSc1ccc2ccc(nc2c1)O 62a_100012276601_100000690401 [0,2,0,0,0,0|1,1,0]=4 12718 B18R2.31386 CC(O)CCSc1ccc2cnc(cc2c1)F 62a_100010291885_100012276601 [0,2,0,0,0,0|1,1,0]=4 12719 B18R2.31386 CC(O)CCSc1ccc2cnc(cc2c1)F 62a_100012276601_100010291885 [0,2,0,0,0,0|1,1,0]=4 12720 B18R2.31386 CC(O)CCSc1ccc2cnc(cc2c1)N 62a_100009817123_100012276601 [0,2,0,0,0,0|1,1,0]=4 12721 B18R2.31386 CC(O)CCSc1ccc2cnc(cc2c1)N 62a_100012276601_100009817123 [0,2,0,0,0,0|1,1,0]=4 12722 B18R2.31386 CC(O)CCSc1ccc2cnc(cc2c1)O 62a_100012276601_100009817130 [0,2,0,0,0,0|1,1,0]=4 12723 B18R2.31386 CC(O)CCSc1ccc2ncc(cc2c1)Br 62a_100012276601_200010254249 [0,2,0,0,0,0|1,1,0]=4 12724 B18R2.31386 CC(O)CCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100012276601 [0,2,0,0,0,0|1,1,0]=4 12725 B18R2.31386 CC(O)CCSc1ccc2ncc(cc2c1)O 62a_100012276601_100000703654 [0,2,0,0,0,0|1,1,0]=4 12726 B18R2.31386 CC(O)CCSc1cnc2ccc(cc2c1)Br 62a_100010740133_100012276601 [0,2,0,0,0,0|1,1,0]=4 12727 B18R2.31386 CC(O)CCSc1cnc2ccc(cc2c1)Br 62a_100012276601_100010740133 [0,2,0,0,0,0|1,1,0]=4 12728 B18R2.31386 CC(O)CCSc1cnc2ccc(cc2c1)Cl 62a_100012276601_100015929906 [0,2,0,0,0,0|1,1,0]=4 12729 B18R2.31386 CC(O)CCSc1cnc2ccc(cc2c1)Cl 62a_100015929906_100012276601 [0,2,0,0,0,0|1,1,0]=4 12730 B18R2.31386 CC(O)CCSc1cnc2ccc(cc2c1)N 62a_100009888932_100012276601 [0,2,0,0,0,0|1,1,0]=4 12731 B18R2.31386 CC(O)CCSc1cnc2ccc(cc2c1)N 62a_100012276601_100009888932 [0,2,0,0,0,0|1,1,0]=4 12732 B18R2.31386 CC(O)CCSc1cnc2ccc(cc2c1)O 62a_100012276601_100010137430 [0,2,0,0,0,0|1,1,0]=4 12733 B18R2.31386 CC(O)CNCc1ccc2ccc(cc2c1)Br 207a_100000210904_100010200085 [0,2,0,0,0,0|2,0,0]=4 12734 B18R2.31386 CC(O)CNCc1ccc2ccc(cc2c1)Br 270004a_100000210904_100010200085 [0,2,0,0,0,0|2,0,0]=4 12735 B18R2.31386 CN(C)CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000755713 [0,2,0,0,0,0|2,0,0]=4 12736 B18R2.31386 CN(C)CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000755713 [0,2,0,0,0,0|2,0,0]=4 12737 B18R2.31386 CN(C)CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000755713 [0,2,0,0,0,0|2,0,0]=4 12738 B18R2.31386 CN(C)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000755713 [0,2,0,0,0,0|1,0,0]=3 12739 B18R2.31386 CN(C)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000755713 [0,2,0,0,0,0|1,0,0]=3 12740 B18R2.31386 CN(C)CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000755713 [0,2,0,0,0,0|2,0,0]=4 12741 B18R2.31386 CN(C)CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000755713 [0,2,0,0,0,0|2,0,0]=4 12742 B18R2.31386 CN(C)CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000755713 [0,2,0,0,0,0|2,0,0]=4 12743 B18R2.31386 CN(C)CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000755713 [0,2,0,0,0,0|2,0,0]=4 12744 B18R2.31386 CN(C)CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000755713 [0,2,0,0,0,0|2,0,0]=4 12745 B18R2.31386 CN(C)CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000755713 [0,2,0,0,0,0|1,1,0]=4 12746 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(=O)N 34a_100000091598_100000731001 [0,2,0,0,0,0|1,0,1]=4 12747 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(=O)N 7a_100000091598_100000744528 [0,2,0,0,0,0|1,0,1]=4 12748 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)C 34a_100000091598_100000210312 [0,2,0,0,0,0|0,0,0]=2 12749 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)C 7a_100000091598_100000210626 [0,2,0,0,0,0|0,0,0]=2 12750 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)O 34a_100000091598_100012276601 [0,2,0,0,0,0|0,0,0]=2 12751 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCC(C)O 7a_100000091598_100012276601 [0,2,0,0,0,0|0,0,0]=2 12752 B18R2.31386 Cc1ccc2ccc(cc2c1)OCCN(C)C 7a_100000091598_100000755713 [0,2,0,0,0,0|1,0,0]=3 12753 B18R2.31386 Cc1ccc2ccc(cc2c1)OCOC(C)C 34a_100000091598_100000709892 [0,2,0,0,0,0|1,0,0]=3 12754 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)C 34a_100009867695_100000210312 [0,2,0,0,0,0|1,0,0]=3 12755 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)C 7a_100009867695_100000210626 [0,2,0,0,0,0|1,0,0]=3 12756 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)O 34a_100009867695_100012276601 [0,2,0,0,0,0|1,0,0]=3 12757 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCC(C)O 7a_100009867695_100012276601 [0,2,0,0,0,0|1,0,0]=3 12758 B18R2.31386 Cc1ccc2ccc(cc2n1)OCCN(C)C 7a_100009867695_100000755713 [0,2,0,0,0,0|2,0,0]=4 12759 B18R2.31386 Cc1ccc2ccc(cc2n1)OCOC(C)C 34a_100009867695_100000709892 [0,2,0,0,0,0|2,0,0]=4 12760 B18R2.31386 Cc1ccc2ccc(cc2n1)SCCC(C)C 62a_100000210312_100009817087 [0,2,0,0,0,0|1,1,0]=4 12761 B18R2.31386 Cc1ccc2ccc(cc2n1)SCCC(C)C 62a_100009817087_100000210312 [0,2,0,0,0,0|1,1,0]=4 12762 B18R2.31386 Cc1ccc2ccc(cc2n1)SCCC(C)O 62a_100009817087_100012276601 [0,2,0,0,0,0|1,1,0]=4 12763 B18R2.31386 Cc1ccc2ccc(cc2n1)SCCC(C)O 62a_100012276601_100009817087 [0,2,0,0,0,0|1,1,0]=4 12764 B18R2.31386 Cc1ccc2ncc(cc2c1)SCCC(C)C 62a_100000210312_100015841224 [0,2,0,0,0,0|1,1,0]=4 12765 B18R2.31386 Cc1ccc2ncc(cc2c1)SCCC(C)O 62a_100012276601_100015841224 [0,2,0,0,0,0|1,1,0]=4 12766 B18R2.31386 Cc1cnc2ccc(cc2c1)SCCC(C)C 62a_100000210312_100009817055 [0,2,0,0,0,0|1,1,0]=4 12767 B18R2.31386 Cc1cnc2ccc(cc2c1)SCCC(C)O 62a_100012276601_100009817055 [0,2,0,0,0,0|1,1,0]=4 12768 B18R2.31386 NC(=O)CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000731001 [0,2,0,0,0,0|1,0,1]=4 12769 B18R2.31386 NC(=O)CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000744528 [0,2,0,0,0,0|1,0,1]=4 12770 B18R2.31386 NC(=O)CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000731001 [0,2,0,0,0,0|1,0,1]=4 12771 B18R2.31386 NC(=O)CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000744528 [0,2,0,0,0,0|1,0,1]=4 12772 B18R2.122265 CCCCSc1c[nH]c2ccc(cc2c1=O)Br 62a_100012348040_100000210210 [0,2,0,0,0,0|1,1,0]=4 12773 B18R2.122265 CCCCSc1coc2ccc(cc2c1=O)C 62a_100000210211_200010005421 [0,2,0,0,0,0|1,1,0]=4 12774 B18R2.122265 CCCCSc1coc2ccc(cc2c1=O)Cl 62a_100000210211_200010204847 [0,2,0,0,0,0|1,1,0]=4 12775 B18R2.122265 CCCCSc1coc2ccc(cc2c1=O)F 62a_100000210211_200009813772 [0,2,0,0,0,0|1,1,0]=4 12776 B18R2.122267 C#CCCOc1ccc2ccc(cc2c1)C#N 34a_100000090773_100000688953 [0,2,0,0,0,0|0,0,2]=4 12777 B18R2.122267 C#CCCOc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000688953 [0,2,0,0,0,0|0,0,2]=4 12778 B18R2.122267 C#CCCOc1ccc2ccc(cc2c1)OC 34a_100000179802_100000688953 [0,2,0,0,0,0|0,0,2]=4 12779 B18R2.122267 C#CCCOc1ccc2ccc(cc2c1)OC 7a_100000179802_100000688953 [0,2,0,0,0,0|0,0,2]=4 12780 B18R2.122267 C/C=C/COc1ccc2ccc(cc2c1)C#N 34a_100000090773_100102629194 [0,2,0,0,0,0|0,0,2]=4 12781 B18R2.122267 C/C=C/COc1ccc2ccc(cc2c1)C#N 7a_100000090773_100102629194 [0,2,0,0,0,0|0,0,2]=4 12782 B18R2.122267 C/C=C/COc1ccc2ccc(cc2c1)OC 34a_100000179802_100102629194 [0,2,0,0,0,0|0,0,2]=4 12783 B18R2.122267 C/C=C/COc1ccc2ccc(cc2c1)OC 7a_100000179802_100102629194 [0,2,0,0,0,0|0,0,2]=4 12784 B18R2.122267 C=CCCOc1ccc2ccc(cc2c1)C#N 34a_100000090773_100000754431 [0,2,0,0,0,0|0,0,2]=4 12785 B18R2.122267 C=CCCOc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000754431 [0,2,0,0,0,0|0,0,2]=4 12786 B18R2.122267 C=CCCOc1ccc2ccc(cc2c1)OC 34a_100000179802_100000754431 [0,2,0,0,0,0|0,0,2]=4 12787 B18R2.122267 C=CCCOc1ccc2ccc(cc2c1)OC 7a_100000179802_100000754431 [0,2,0,0,0,0|0,0,2]=4 12788 B18R2.122267 CC#CCOc1ccc2ccc(cc2c1)C#N 34a_100000090773_100000748600 [0,2,0,0,0,0|0,0,2]=4 12789 B18R2.122267 CC#CCOc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000748600 [0,2,0,0,0,0|0,0,2]=4 12790 B18R2.122267 CC#CCOc1ccc2ccc(cc2c1)OC 34a_100000179802_100000748600 [0,2,0,0,0,0|0,0,2]=4 12791 B18R2.122267 CC#CCOc1ccc2ccc(cc2c1)OC 7a_100000179802_100000748600 [0,2,0,0,0,0|0,0,2]=4 12792 B18R2.122267 CC=CCOc1ccc2ccc(cc2c1)C#N 34a_100000090773_100000070051 [0,2,0,0,0,0|0,0,2]=4 12793 B18R2.122267 CC=CCOc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000070051 [0,2,0,0,0,0|0,0,2]=4 12794 B18R2.122267 CC=CCOc1ccc2ccc(cc2c1)OC 34a_100000179802_100000070051 [0,2,0,0,0,0|0,0,2]=4 12795 B18R2.122267 CC=CCOc1ccc2ccc(cc2c1)OC 7a_100000179802_100000070051 [0,2,0,0,0,0|0,0,2]=4 12796 B18R2.122267 CCCC=Cc1ccc2ccc(cc2c1)C=O 271570a_100016258520_100010200085 [0,2,0,0,0,0|1,0,1]=4 12797 B18R2.122267 CCCC=Cc1ccc2ccc(cc2c1)OC 271570a_100016258520_100010090027 [0,2,0,0,0,0|1,0,1]=4 12798 B18R2.122267 CCCCNc1ccc2ccc(cc2n1)OC 27a_100000102301_100009877240 [0,2,0,0,0,0|2,0,0]=4 12799 B18R2.122267 CCCCOc1ccc2ccc(cc2c1)C#N 34a_100000090773_100000210210 [0,2,0,0,0,0|0,0,0]=2 12800 B18R2.122267 CCCCOc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000210211 [0,2,0,0,0,0|0,0,0]=2 12801 B18R2.122267 CCCCOc1ccc2ccc(cc2c1)OC 34a_100000179802_100000210210 [0,2,0,0,0,0|0,0,0]=2 12802 B18R2.122267 CCCCOc1ccc2ccc(cc2c1)OC 7a_100000179802_100000210211 [0,2,0,0,0,0|0,0,0]=2 12803 B18R2.122267 CCCCSc1ccc2ccc(cc2c1)C=O 62a_100000210211_100010200085 [0,2,0,0,0,0|0,1,0]=3 12804 B18R2.122267 CCCCSc1ccc2ccc(cc2c1)C=O 62a_100010200085_100000210210 [0,2,0,0,0,0|0,1,0]=3 12805 B18R2.122267 CCCCSc1ccc2ccc(cc2c1)OC 62a_100000210211_100010090027 [0,2,0,0,0,0|0,1,0]=3 12806 B18R2.122267 CCCCSc1ccc2ccc(cc2n1)OC 62a_100000210211_100009877240 [0,2,0,0,0,0|1,1,0]=4 12807 B18R2.122267 CCCCSc1ccc2ccc(nc2c1)OC 62a_100000210211_100010248626 [0,2,0,0,0,0|1,1,0]=4 12808 B18R2.122267 CCCCSc1ccc2ccc(nc2c1)OC 62a_100010248626_100000210210 [0,2,0,0,0,0|1,1,0]=4 12809 B18R2.122267 CCCCSc1ccc2ncc(cc2c1)C#N 62a_100000210211_100010885934 [0,2,0,0,0,0|1,1,0]=4 12810 B18R2.122267 CCCCSc1ccc2ncc(cc2c1)C=O 62a_100000210211_100010174008 [0,2,0,0,0,0|1,1,0]=4 12811 B18R2.122267 CCCCSc1ccc2ncc(cc2c1)C=O 62a_100010174008_100000210210 [0,2,0,0,0,0|1,1,0]=4 12812 B18R2.122267 CCCCSc1cnc2ccc(cc2c1)OC 62a_100000210211_100000700671 [0,2,0,0,0,0|1,1,0]=4 12813 B18R2.122267 CCCOCc1ccc2ccc(cc2c1)OC 34a_100009888446_100000210303 [0,2,0,0,0,0|2,0,0]=4 12814 B18R2.122267 CCCOCc1ccc2ccc(cc2c1)OC 7a_100009888446_100000210303 [0,2,0,0,0,0|2,0,0]=4 12815 B18R2.122267 CCOCSc1ccc2ccc(cc2c1)C=O 62a_100000739092_100010200085 [0,2,0,0,0,0|1,1,0]=4 12816 B18R2.122267 CCOCSc1ccc2ccc(cc2c1)C=O 62a_100010200085_100000739092 [0,2,0,0,0,0|1,1,0]=4 12817 B18R2.122267 CCOCSc1ccc2ccc(cc2c1)OC 62a_100000739092_100010090027 [0,2,0,0,0,0|1,1,0]=4 12818 B18R2.122267 COCCOc1ccc2ccc(cc2c1)C#N 34a_100000090773_100011201679 [0,2,0,0,0,0|1,0,0]=3 12819 B18R2.122267 COCCOc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000233755 [0,2,0,0,0,0|1,0,0]=3 12820 B18R2.122267 COCCOc1ccc2ccc(cc2c1)OC 34a_100000179802_100011201679 [0,2,0,0,0,0|1,0,0]=3 12821 B18R2.122267 COCCOc1ccc2ccc(cc2c1)OC 7a_100000179802_100000233755 [0,2,0,0,0,0|1,0,0]=3 12822 B18R2.122267 COCCSc1ccc2ccc(cc2c1)C=O 62a_100000233755_100010200085 [0,2,0,0,0,0|1,1,0]=4 12823 B18R2.122267 COCCSc1ccc2ccc(cc2c1)C=O 62a_100010200085_100000233755 [0,2,0,0,0,0|1,1,0]=4 12824 B18R2.122267 COCCSc1ccc2ccc(cc2c1)OC 62a_100000233755_100010090027 [0,2,0,0,0,0|1,1,0]=4 12825 B18R2.122267 COc1ccc2ccc(cc2c1)OCCC#N 7a_100000179802_100000184422 [0,2,0,0,0,0|1,0,1]=4 12826 B18R2.122267 COc1ccc2ccc(cc2c1)OCCCF 34a_100000179802_100011934791 [0,2,0,0,0,0|1,0,0]=3 12827 B18R2.122267 COc1ccc2ccc(cc2c1)OCCCF 7a_100000179802_100011934791 [0,2,0,0,0,0|1,0,0]=3 12828 B18R2.122267 COc1ccc2ccc(cc2c1)OCCCO 34a_100000179802_100000230001 [0,2,0,0,0,0|1,0,0]=3 12829 B18R2.122267 COc1ccc2ccc(cc2c1)OCCCO 7a_100000179802_100011215043 [0,2,0,0,0,0|1,0,0]=3 12830 B18R2.122267 COc1ccc2ccc(cc2c1)OCCSC 34a_100000179802_100000212216 [0,2,0,0,0,0|1,0,0]=3 12831 B18R2.122267 COc1ccc2ccc(cc2c1)OCCSC 7a_100000179802_100000212216 [0,2,0,0,0,0|1,0,0]=3 12832 B18R2.122267 COc1ccc2ccc(cc2c1)SCCCF 62a_100011934791_100010090027 [0,2,0,0,0,0|1,1,0]=4 12833 B18R2.122267 COc1ccc2ccc(cc2c1)SCCCO 62a_100011215043_100010090027 [0,2,0,0,0,0|1,1,0]=4 12834 B18R2.122267 COc1ccc2ccc(cc2c1)SCCSC 62a_100000212216_100010090027 [0,2,0,0,0,0|1,1,0]=4 12835 B18R2.122267 CSCCOc1ccc2ccc(cc2c1)C#N 34a_100000090773_100000212216 [0,2,0,0,0,0|1,0,0]=3 12836 B18R2.122267 CSCCOc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000212216 [0,2,0,0,0,0|1,0,0]=3 12837 B18R2.122267 CSCCSc1ccc2ccc(cc2c1)C=O 62a_100000212216_100010200085 [0,2,0,0,0,0|1,1,0]=4 12838 B18R2.122267 CSCCSc1ccc2ccc(cc2c1)C=O 62a_100010200085_100000751147 [0,2,0,0,0,0|1,1,0]=4 12839 B18R2.122267 N#CCCOc1ccc2ccc(cc2c1)C#N 7a_100000090773_100000184422 [0,2,0,0,0,0|1,0,1]=4 12840 B18R2.122267 N#Cc1ccc2ccc(cc2c1)OCCCF 34a_100000090773_100011934791 [0,2,0,0,0,0|1,0,0]=3 12841 B18R2.122267 N#Cc1ccc2ccc(cc2c1)OCCCF 7a_100000090773_100011934791 [0,2,0,0,0,0|1,0,0]=3 12842 B18R2.122267 N#Cc1ccc2ccc(cc2c1)OCCCO 34a_100000090773_100000230001 [0,2,0,0,0,0|1,0,0]=3 12843 B18R2.122267 N#Cc1ccc2ccc(cc2c1)OCCCO 7a_100000090773_100011215043 [0,2,0,0,0,0|1,0,0]=3 12844 B18R2.122267 O=Cc1ccc2ccc(cc2c1)SCCCF 62a_100010200085_100011934791 [0,2,0,0,0,0|1,1,0]=4 12845 B18R2.122267 O=Cc1ccc2ccc(cc2c1)SCCCF 62a_100011934791_100010200085 [0,2,0,0,0,0|1,1,0]=4 12846 B18R2.122267 O=Cc1ccc2ccc(cc2c1)SCCCO 62a_100010200085_100011215043 [0,2,0,0,0,0|1,1,0]=4 12847 B18R2.122267 O=Cc1ccc2ccc(cc2c1)SCCCO 62a_100011215043_100010200085 [0,2,0,0,0,0|1,1,0]=4 12848 B18R2.122308 C#CCCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000688953 [0,2,0,0,0,0|0,0,2]=4 12849 B18R2.122308 C#CCCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000688953 [0,2,0,0,0,0|0,0,2]=4 12850 B18R2.122308 C/C=C/COc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100102629194 [0,2,0,0,0,0|0,0,2]=4 12851 B18R2.122308 C/C=C/COc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100102629194 [0,2,0,0,0,0|0,0,2]=4 12852 B18R2.122308 C=CCCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000754431 [0,2,0,0,0,0|0,0,2]=4 12853 B18R2.122308 C=CCCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000754431 [0,2,0,0,0,0|0,0,2]=4 12854 B18R2.122308 CC#CCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000748600 [0,2,0,0,0,0|0,0,2]=4 12855 B18R2.122308 CC#CCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000748600 [0,2,0,0,0,0|0,0,2]=4 12856 B18R2.122308 CC=CCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000070051 [0,2,0,0,0,0|0,0,2]=4 12857 B18R2.122308 CC=CCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000070051 [0,2,0,0,0,0|0,0,2]=4 12858 B18R2.122308 CCCCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000210210 [0,2,0,0,0,0|0,0,0]=2 12859 B18R2.122308 CCCCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000210211 [0,2,0,0,0,0|0,0,0]=2 12860 B18R2.122308 CCCCOc1ccc2ccc(c(c2n1)C)Cl 34a_100000697521_100000210210 [0,2,0,0,0,0|1,0,0]=3 12861 B18R2.122308 CCCCOc1ccc2ncn(c(=O)c2c1)C 7a_200000716950_100000210211 [0,2,0,0,0,0|2,0,0]=4 12862 B18R2.122308 CCCCSc1ccc2ccc(=O)n(c2c1)C 62a_100000210211_200010167779 [0,2,0,0,0,0|1,1,0]=4 12863 B18R2.122308 CCCCSc1ccc2ccc(=O)n(c2c1)C 62a_200010167779_100000210210 [0,2,0,0,0,0|1,1,0]=4 12864 B18R2.122308 CCCCSc1ccc2ccn(c(=O)c2c1)C 62a_100000210211_100010371002 [0,2,0,0,0,0|1,1,0]=4 12865 B18R2.122308 CCCCSc1ccc2ccn(c(=O)c2c1)C 62a_100010371002_100000210210 [0,2,0,0,0,0|1,1,0]=4 12866 B18R2.122308 COCCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100011201679 [0,2,0,0,0,0|1,0,0]=3 12867 B18R2.122308 COCCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000233755 [0,2,0,0,0,0|1,0,0]=3 12868 B18R2.122308 COCCOc1ccc2ccc(c(c2n1)C)Cl 34a_100000697521_100011201679 [0,2,0,0,0,0|2,0,0]=4 12869 B18R2.122308 CSCCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000212216 [0,2,0,0,0,0|1,0,0]=3 12870 B18R2.122308 CSCCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000212216 [0,2,0,0,0,0|1,0,0]=3 12871 B18R2.122308 CSCCOc1ccc2ccc(c(c2n1)C)Cl 34a_100000697521_100000212216 [0,2,0,0,0,0|2,0,0]=4 12872 B18R2.122308 Cc1c(ccc2c1nc(cc2)OCCCF)Cl 34a_100000697521_100011934791 [0,2,0,0,0,0|2,0,0]=4 12873 B18R2.122308 Cc1c(ccc2c1nc(cc2)OCCCO)Cl 34a_100000697521_100000230001 [0,2,0,0,0,0|2,0,0]=4 12874 B18R2.122308 FCCCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100011934791 [0,2,0,0,0,0|1,0,0]=3 12875 B18R2.122308 FCCCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100011934791 [0,2,0,0,0,0|1,0,0]=3 12876 B18R2.122308 N#CCCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100000184422 [0,2,0,0,0,0|1,0,1]=4 12877 B18R2.122308 OCCCOc1ccc2ccc(c(c2c1)F)F 34a_100000100812_100000230001 [0,2,0,0,0,0|1,0,0]=3 12878 B18R2.122308 OCCCOc1ccc2ccc(c(c2c1)F)F 7a_100000100812_100011215043 [0,2,0,0,0,0|1,0,0]=3 12879 B18R2.146210 CCCCNc1cc(c2ncc(cc2c1)Br)Br 34a_100010069473_100000210210 [0,2,0,0,0,0|2,0,0]=4 12880 B18R2.146210 CCCCNc1cc(c2ncc(cc2c1)Br)Br 7a_100010069473_100000210211 [0,2,0,0,0,0|2,0,0]=4 12881 B18R2.146210 CCCCNc1cc(c2ncc(cc2c1)Br)F 34a_100010780968_100000210210 [0,2,0,0,0,0|2,0,0]=4 12882 B18R2.146210 CCCCNc1cc(c2ncc(cc2c1)Br)F 7a_100010780968_100000210211 [0,2,0,0,0,0|2,0,0]=4 12883 B18R2.146210 CCCCOc1cc(c2ccc(=O)oc2c1)C 34a_100000029242_100000210210 [0,2,0,0,0,0|1,0,0]=3 12884 B18R2.146210 CCCCOc1cc(c2ccc(=O)oc2c1)C 7a_100000029242_100000210211 [0,2,0,0,0,0|1,0,0]=3 12885 B18R2.146210 CCCCSc1cc(c2ccc(cc2n1)N)C 62a_100000210211_100000103534 [0,2,0,0,0,0|1,1,0]=4 12886 B18R2.146210 COCCOc1cc(c2ccc(=O)oc2c1)C 34a_100000029242_100011201679 [0,2,0,0,0,0|2,0,0]=4 12887 B18R2.146210 COCCOc1cc(c2ccc(=O)oc2c1)C 7a_100000029242_100000233755 [0,2,0,0,0,0|2,0,0]=4 12888 B18R2.146210 CSCCOc1cc(c2ccc(=O)oc2c1)C 34a_100000029242_100000212216 [0,2,0,0,0,0|2,0,0]=4 12889 B18R2.146210 CSCCOc1cc(c2ccc(=O)oc2c1)C 7a_100000029242_100000212216 [0,2,0,0,0,0|2,0,0]=4 12890 B18R2.146210 Cc1cc(cc2c1ccc(=O)o2)OCCCF 34a_100000029242_100011934791 [0,2,0,0,0,0|2,0,0]=4 12891 B18R2.146210 Cc1cc(cc2c1ccc(=O)o2)OCCCF 7a_100000029242_100011934791 [0,2,0,0,0,0|2,0,0]=4 12892 B18R2.146210 Cc1cc(cc2c1ccc(=O)o2)OCCCO 34a_100000029242_100000230001 [0,2,0,0,0,0|2,0,0]=4 12893 B18R2.146210 Cc1cc(cc2c1ccc(=O)o2)OCCCO 7a_100000029242_100011215043 [0,2,0,0,0,0|2,0,0]=4 12894 B18R2.178794 CCCCSc1ccc2nc(c(cc2c1)C)N 62a_100000210211_100011830096 [0,2,0,0,0,0|1,1,0]=4 12895 B18R2.178794 CCCCSc1ccc2nc(c(cc2c1)C)N 62a_100011830096_100000210210 [0,2,0,0,0,0|1,1,0]=4 12896 B18R2.874990 CCCCNc1ccc2c(cc(=O)oc2c1)C 7a_100000010859_100000210211 [0,2,0,0,0,0|2,0,0]=4 12897 B18R2.874990 CCCCNc1ccc2c(cc(nc2c1)Cl)C 34a_100000103534_100000210210 [0,2,0,0,0,0|2,0,0]=4 12898 B18R2.874990 CCCCOc1ccc2c(cc(=O)oc2c1)C 34a_100000181958_100000210210 [0,2,0,0,0,0|1,0,0]=3 12899 B18R2.874990 CCCCOc1ccc2c(cc(=O)oc2c1)C 7a_100000181958_100000210211 [0,2,0,0,0,0|1,0,0]=3 12900 B18R2.874990 CCCCSc1ccc2c(=O)[nH]c(cc2c1)C 62a_100000210211_100010883700 [0,2,0,0,0,0|1,1,0]=4 12901 B18R2.874990 CCCCSc1ccc2c(cc(=O)oc2c1)O 62a_100000210211_100010062223 [0,2,0,0,0,0|1,1,0]=4 12902 B18R2.874990 CCCCSc1cnc2c(cc(cc2c1)N)F 62a_100000210211_100010780968 [0,2,0,0,0,0|1,1,0]=4 12903 B18R2.874990 CCCCSc1cnc2c(cc(cc2c1)N)F 62a_100010780968_100000210210 [0,2,0,0,0,0|1,1,0]=4 12904 B18R2.874990 COCCOc1ccc2c(cc(=O)oc2c1)C 34a_100000181958_100011201679 [0,2,0,0,0,0|2,0,0]=4 12905 B18R2.874990 COCCOc1ccc2c(cc(=O)oc2c1)C 7a_100000181958_100000233755 [0,2,0,0,0,0|2,0,0]=4 12906 B18R2.874990 CSCCOc1ccc2c(cc(=O)oc2c1)C 34a_100000181958_100000212216 [0,2,0,0,0,0|2,0,0]=4 12907 B18R2.874990 CSCCOc1ccc2c(cc(=O)oc2c1)C 7a_100000181958_100000212216 [0,2,0,0,0,0|2,0,0]=4 12908 B18R2.874990 Cc1cc(=O)oc2c1ccc(c2)OCCCF 34a_100000181958_100011934791 [0,2,0,0,0,0|2,0,0]=4 12909 B18R2.874990 Cc1cc(=O)oc2c1ccc(c2)OCCCF 7a_100000181958_100011934791 [0,2,0,0,0,0|2,0,0]=4 12910 B18R2.874990 Cc1cc(=O)oc2c1ccc(c2)OCCCO 34a_100000181958_100000230001 [0,2,0,0,0,0|2,0,0]=4 12911 B18R2.874990 Cc1cc(=O)oc2c1ccc(c2)OCCCO 7a_100000181958_100011215043 [0,2,0,0,0,0|2,0,0]=4 12912 B18R2.1931 CCCCC(=O)c1ccc2[nH]ccc(=O)c2c1 1458a_200009839989_100000210211 [0,2,0,0,0,0|2,0,0]=4 12913 B18R2.1931 CCCCC(=O)c1ccc2cncc(c2c1)Br 1458a_100015832970_100000210211 [0,2,0,0,0,0|2,0,0]=4 12914 B18R2.1931 CCCCC(=O)c1ccc2nccc(c2c1)Br 1458a_200010240029_100000210211 [0,2,0,0,0,0|2,0,0]=4 12915 B18R2.1931 CCCCN(C)c1ccc2cccc(c2n1)C 27a_100000207549_100012002297 [0,2,0,0,0,0|2,0,0]=4 12916 B18R2.1931 CCCCN(C)c1ccc2cccc(c2n1)O 27a_100000207549_100010153751 [0,2,0,0,0,0|2,0,0]=4 12917 B18R2.2040 CC(CC#N)Oc1ccc2cccc(c2c1)Br 7a_100010169565_100009813641 [0,2,0,0,0,0|1,0,1]=4 12918 B18R2.2040 CC(CC#N)Oc1ccc2cccc(c2c1)F 7a_100000091619_100009813641 [0,2,0,0,0,0|1,0,1]=4 12919 B18R2.2040 CC(CC#N)Oc1ccc2cccc(c2c1)N 7a_100000034012_100009813641 [0,2,0,0,0,0|1,0,1]=4 12920 B18R2.2040 CC(CCO)Nc1ccc2cccc(c2c1)O 34a_100132313934_100009893172 [0,2,0,0,0,0|2,0,0]=4 12921 B18R2.2040 CC(CCO)Oc1ccc2cccc(c2c1)Br 34a_100010169565_100009893172 [0,2,0,0,0,0|1,0,0]=3 12922 B18R2.2040 CC(CCO)Oc1ccc2cccc(c2c1)Br 7a_100010169565_100009893172 [0,2,0,0,0,0|1,0,0]=3 12923 B18R2.2040 CC(CCO)Oc1ccc2cccc(c2c1)F 34a_100000091619_100009893172 [0,2,0,0,0,0|1,0,0]=3 12924 B18R2.2040 CC(CCO)Oc1ccc2cccc(c2c1)F 7a_100000091619_100009893172 [0,2,0,0,0,0|1,0,0]=3 12925 B18R2.2040 CC(CCO)Oc1ccc2cccc(c2c1)N 34a_100000034012_100009893172 [0,2,0,0,0,0|1,0,0]=3 12926 B18R2.2040 CC(CCO)Oc1ccc2cccc(c2c1)N 7a_100000034012_100009893172 [0,2,0,0,0,0|1,0,0]=3 12927 B18R2.2040 CC(CCO)Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_100009893172 [0,2,0,0,0,0|2,0,0]=4 12928 B18R2.2040 CC(CCO)Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_100009893172 [0,2,0,0,0,0|2,0,0]=4 12929 B18R2.2040 CC(CCO)Oc1ccc2nccc(c2c1)Br 34a_100010204251_100009893172 [0,2,0,0,0,0|2,0,0]=4 12930 B18R2.2040 CC(CCO)Oc1ccc2nccc(c2c1)Br 7a_100010204251_100009893172 [0,2,0,0,0,0|2,0,0]=4 12931 B18R2.2040 CC(CCO)Oc1ccc2nccc(c2c1)Cl 34a_100000075933_100009893172 [0,2,0,0,0,0|2,0,0]=4 12932 B18R2.2040 CC(CCO)Oc1ccc2nccc(c2c1)Cl 7a_100000075933_100009893172 [0,2,0,0,0,0|2,0,0]=4 12933 B18R2.2040 CC(CCO)Sc1ccc2cccc(c2c1)N 62a_100009893172_100010090012 [0,2,0,0,0,0|1,1,0]=4 12934 B18R2.2040 CC(CCO)Sc1ccc2cccc(c2c1)N 62a_100010090012_100009893172 [0,2,0,0,0,0|1,1,0]=4 12935 B18R2.2040 CC(CCO)Sc1ccc2cccc(c2c1)O 62a_100009893172_100010089991 [0,2,0,0,0,0|1,1,0]=4 12936 B18R2.2040 CCCC(=O)Nc1ccc2cccc(c2c1)O 1626a_100132313934_100000211992 [0,2,0,0,0,0|1,0,1]=4 12937 B18R2.2040 CCCC(=O)Nc1ccc2cccc(c2c1)O 22a_100132313934_100000211992 [0,2,0,0,0,0|1,0,1]=4 12938 B18R2.2040 CCCC(=O)Nc1ccc2cccc(c2c1)O 527a_100132313934_100000211992 [0,2,0,0,0,0|1,0,1]=4 12939 B18R2.2040 CCCC(C)Nc1ccc2cccc(c2c1)O 34a_100132313934_100000766640 [0,2,0,0,0,0|1,0,0]=3 12940 B18R2.2040 CCCC(C)Nc1ccc2cccc(c2n1)C 27a_100000741246_100012002297 [0,2,0,0,0,0|2,0,0]=4 12941 B18R2.2040 CCCC(C)Nc1ccc2cccc(c2n1)O 27a_100000741246_100010153751 [0,2,0,0,0,0|2,0,0]=4 12942 B18R2.2040 CCCC(C)Nc1ccc2nccc(c2c1)Br 34a_100010074812_100000766640 [0,2,0,0,0,0|2,0,0]=4 12943 B18R2.2040 CCCC(C)Nc1ccc2nccc(c2c1)Cl 34a_100009879071_100000766640 [0,2,0,0,0,0|2,0,0]=4 12944 B18R2.2040 CCCC(C)Nc1ccc2occc(=O)c2c1 34a_100000088200_100000766640 [0,2,0,0,0,0|2,0,0]=4 12945 B18R2.2040 CCCC(C)Oc1ccc2cccc(c2c1)C 34a_200000091600_100000766640 [0,2,0,0,0,0|0,0,0]=2 12946 B18R2.2040 CCCC(C)Oc1ccc2cccc(c2c1)C 7a_200000091600_100000766640 [0,2,0,0,0,0|0,0,0]=2 12947 B18R2.2040 CCCC(C)Oc1ccc2cccc(c2c1)F 34a_100000091619_100000766640 [0,2,0,0,0,0|0,0,0]=2 12948 B18R2.2040 CCCC(C)Oc1ccc2cccc(c2c1)F 7a_100000091619_100000766640 [0,2,0,0,0,0|0,0,0]=2 12949 B18R2.2040 CCCC(C)Oc1ccc2cccc(c2c1)N 34a_100000034012_100000766640 [0,2,0,0,0,0|0,0,0]=2 12950 B18R2.2040 CCCC(C)Oc1ccc2cccc(c2c1)N 7a_100000034012_100000766640 [0,2,0,0,0,0|0,0,0]=2 12951 B18R2.2040 CCCC(C)Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000766640 [0,2,0,0,0,0|1,0,0]=3 12952 B18R2.2040 CCCC(C)Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000766640 [0,2,0,0,0,0|1,0,0]=3 12953 B18R2.2040 CCCC(C)Oc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000766640 [0,2,0,0,0,0|2,0,0]=4 12954 B18R2.2040 CCCC(C)Oc1ccc2nccc(c2c1)Br 34a_100010204251_100000766640 [0,2,0,0,0,0|1,0,0]=3 12955 B18R2.2040 CCCC(C)Oc1ccc2nccc(c2c1)Br 7a_100010204251_100000766640 [0,2,0,0,0,0|1,0,0]=3 12956 B18R2.2040 CCCC(C)Oc1ccc2nccc(c2c1)Cl 34a_100000075933_100000766640 [0,2,0,0,0,0|1,0,0]=3 12957 B18R2.2040 CCCC(C)Oc1ccc2nccc(c2c1)Cl 7a_100000075933_100000766640 [0,2,0,0,0,0|1,0,0]=3 12958 B18R2.2040 CCCC(C)Sc1ccc2[nH]ccc(=O)c2c1 62a_100000766640_100000746092 [0,2,0,0,0,0|1,1,0]=4 12959 B18R2.2040 CCCC(C)Sc1ccc2cccc(c2c1)N 62a_100000766640_100010090012 [0,2,0,0,0,0|0,1,0]=3 12960 B18R2.2040 CCCC(C)Sc1ccc2cccc(c2c1)N 62a_100010090012_100000766640 [0,2,0,0,0,0|0,1,0]=3 12961 B18R2.2040 CCCC(C)Sc1ccc2cccc(c2c1)O 62a_100000766640_100010089991 [0,2,0,0,0,0|0,1,0]=3 12962 B18R2.2040 CCCC(C)Sc1ccc2cccc(c2n1)C 62a_100000766640_100012002297 [0,2,0,0,0,0|1,1,0]=4 12963 B18R2.2040 CCCC(C)Sc1ccc2cccc(c2n1)F 62a_100000766640_100012017632 [0,2,0,0,0,0|1,1,0]=4 12964 B18R2.2040 CCCC(C)Sc1ccc2cccc(c2n1)O 62a_100000766640_100000013812 [0,2,0,0,0,0|1,1,0]=4 12965 B18R2.2040 CCCC(C)Sc1ccc2ccnc(c2c1)C 62a_100000766640_200010739692 [0,2,0,0,0,0|1,1,0]=4 12966 B18R2.2040 CCCC(C)Sc1ccc2ccnc(c2c1)C 62a_200010739692_100000766640 [0,2,0,0,0,0|1,1,0]=4 12967 B18R2.2040 CCCC(C)Sc1ccc2ccnc(c2c1)N 62a_100000766640_100012352255 [0,2,0,0,0,0|1,1,0]=4 12968 B18R2.2040 CCCC(C)Sc1ccc2ccnc(c2c1)N 62a_100012352255_100000766640 [0,2,0,0,0,0|1,1,0]=4 12969 B18R2.2040 CCCC(C)Sc1ccc2ccnc(c2c1)O 62a_100000766640_100000010956 [0,2,0,0,0,0|1,1,0]=4 12970 B18R2.2040 CCCC(C)Sc1ccc2cncc(c2c1)O 62a_100000766640_100010136424 [0,2,0,0,0,0|1,1,0]=4 12971 B18R2.2040 CCCC(C)Sc1ccc2nccc(c2c1)C 62a_100000766640_100009817033 [0,2,0,0,0,0|1,1,0]=4 12972 B18R2.2040 CCCC(C)Sc1ccc2nccc(c2c1)C 62a_100009817033_100000766640 [0,2,0,0,0,0|1,1,0]=4 12973 B18R2.2040 CCCC(C)Sc1ccc2nccc(c2c1)N 62a_100000766640_100011620571 [0,2,0,0,0,0|1,1,0]=4 12974 B18R2.2040 CCCC(C)Sc1ccc2nccc(c2c1)N 62a_100011620571_100000766640 [0,2,0,0,0,0|1,1,0]=4 12975 B18R2.2040 CCCC(C)Sc1ccc2occc(=O)c2c1 62a_100000766640_100009813387 [0,2,0,0,0,0|1,1,0]=4 12976 B18R2.2040 CCCC(C)Sc1cnc2cccc(c2c1)N 62a_100000766640_100010264086 [0,2,0,0,0,0|1,1,0]=4 12977 B18R2.2040 CCCC(C)Sc1cnc2cccc(c2c1)N 62a_100010264086_100000766640 [0,2,0,0,0,0|1,1,0]=4 12978 B18R2.2040 CCCC(C)Sc1cnc2cccc(c2c1)O 62a_100000766640_200010153752 [0,2,0,0,0,0|1,1,0]=4 12979 B18R2.2040 CCCN(C)Cc1ccc2cccc(c2c1)Br 26a_100000747261_100010169565 [0,2,0,0,0,0|2,0,0]=4 12980 B18R2.2040 COCC(C)Nc1ccc2cccc(c2c1)O 34a_100132313934_100000765312 [0,2,0,0,0,0|2,0,0]=4 12981 B18R2.2040 COCC(C)Oc1ccc2cccc(c2c1)Br 34a_100010169565_100000765312 [0,2,0,0,0,0|1,0,0]=3 12982 B18R2.2040 COCC(C)Oc1ccc2cccc(c2c1)Br 7a_100010169565_100000765312 [0,2,0,0,0,0|1,0,0]=3 12983 B18R2.2040 COCC(C)Oc1ccc2cccc(c2c1)C 34a_200000091600_100000765312 [0,2,0,0,0,0|1,0,0]=3 12984 B18R2.2040 COCC(C)Oc1ccc2cccc(c2c1)C 7a_200000091600_100000765312 [0,2,0,0,0,0|1,0,0]=3 12985 B18R2.2040 COCC(C)Oc1ccc2cccc(c2c1)F 34a_100000091619_100000765312 [0,2,0,0,0,0|1,0,0]=3 12986 B18R2.2040 COCC(C)Oc1ccc2cccc(c2c1)F 7a_100000091619_100000765312 [0,2,0,0,0,0|1,0,0]=3 12987 B18R2.2040 COCC(C)Oc1ccc2cccc(c2c1)N 34a_100000034012_100000765312 [0,2,0,0,0,0|1,0,0]=3 12988 B18R2.2040 COCC(C)Oc1ccc2cccc(c2c1)N 7a_100000034012_100000765312 [0,2,0,0,0,0|1,0,0]=3 12989 B18R2.2040 COCC(C)Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000765312 [0,2,0,0,0,0|2,0,0]=4 12990 B18R2.2040 COCC(C)Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000765312 [0,2,0,0,0,0|2,0,0]=4 12991 B18R2.2040 COCC(C)Oc1ccc2nccc(c2c1)Br 34a_100010204251_100000765312 [0,2,0,0,0,0|2,0,0]=4 12992 B18R2.2040 COCC(C)Oc1ccc2nccc(c2c1)Br 7a_100010204251_100000765312 [0,2,0,0,0,0|2,0,0]=4 12993 B18R2.2040 COCC(C)Oc1ccc2nccc(c2c1)Cl 34a_100000075933_100000765312 [0,2,0,0,0,0|2,0,0]=4 12994 B18R2.2040 COCC(C)Oc1ccc2nccc(c2c1)Cl 7a_100000075933_100000765312 [0,2,0,0,0,0|2,0,0]=4 12995 B18R2.2040 COCC(C)Sc1ccc2cccc(c2c1)C 62a_100000765312_100010089936 [0,2,0,0,0,0|1,1,0]=4 12996 B18R2.2040 COCC(C)Sc1ccc2cccc(c2c1)N 62a_100000765312_100010090012 [0,2,0,0,0,0|1,1,0]=4 12997 B18R2.2040 COCC(C)Sc1ccc2cccc(c2c1)N 62a_100010090012_100000765312 [0,2,0,0,0,0|1,1,0]=4 12998 B18R2.2040 COCC(C)Sc1ccc2cccc(c2c1)O 62a_100000765312_100010089991 [0,2,0,0,0,0|1,1,0]=4 12999 B18R2.2040 Cc1cccc2c1cc(cc2)OC(C)CC#N 7a_200000091600_100009813641 [0,2,0,0,0,0|1,0,1]=4 13000 B18R2.2040 Cc1cccc2c1cc(cc2)OC(C)CCO 34a_200000091600_100009893172 [0,2,0,0,0,0|1,0,0]=3 13001 B18R2.2040 Cc1cccc2c1cc(cc2)OC(C)CCO 7a_200000091600_100009893172 [0,2,0,0,0,0|1,0,0]=3 13002 B18R2.2040 Cc1cccc2c1cc(cc2)SC(C)CCO 62a_100009893172_100010089936 [0,2,0,0,0,0|1,1,0]=4 13003 B18R2.4552 C#CCCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000695029 [0,2,0,0,0,0|1,0,1]=4 13004 B18R2.4552 C#CCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000695029 [0,2,0,0,0,0|0,0,1]=3 13005 B18R2.4552 C#CCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011215417 [0,2,0,0,0,0|0,0,1]=3 13006 B18R2.4552 C#CCCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000695029 [0,2,0,0,0,0|0,0,1]=3 13007 B18R2.4552 C#CCCCOc1ccc2cccc(c2c1)C 7a_200000091600_100011215417 [0,2,0,0,0,0|0,0,1]=3 13008 B18R2.4552 C#CCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000695029 [0,2,0,0,0,0|0,0,1]=3 13009 B18R2.4552 C#CCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100011215417 [0,2,0,0,0,0|0,0,1]=3 13010 B18R2.4552 C#CCCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000695029 [0,2,0,0,0,0|0,0,1]=3 13011 B18R2.4552 C#CCCCOc1ccc2cccc(c2c1)N 7a_100000034012_100011215417 [0,2,0,0,0,0|0,0,1]=3 13012 B18R2.4552 C#CCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000695029 [0,2,0,0,0,0|1,0,1]=4 13013 B18R2.4552 C#CCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011215417 [0,2,0,0,0,0|1,0,1]=4 13014 B18R2.4552 C#CCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000695029 [0,2,0,0,0,0|1,0,1]=4 13015 B18R2.4552 C#CCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100011215417 [0,2,0,0,0,0|1,0,1]=4 13016 B18R2.4552 C#CCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000695029 [0,2,0,0,0,0|1,0,1]=4 13017 B18R2.4552 C#CCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100011215417 [0,2,0,0,0,0|1,0,1]=4 13018 B18R2.4552 C#CCCCSc1ccc2cccc(c2c1)C 62a_100011215417_100010089936 [0,2,0,0,0,0|0,1,1]=4 13019 B18R2.4552 C#CCCCSc1ccc2cccc(c2c1)N 62a_100010090012_100011215417 [0,2,0,0,0,0|0,1,1]=4 13020 B18R2.4552 C#CCCCSc1ccc2cccc(c2c1)N 62a_100011215417_100010090012 [0,2,0,0,0,0|0,1,1]=4 13021 B18R2.4552 C#CCCCSc1ccc2cccc(c2c1)O 62a_100011215417_100010089991 [0,2,0,0,0,0|0,1,1]=4 13022 B18R2.4552 C=CCCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000757094 [0,2,0,0,0,0|1,0,1]=4 13023 B18R2.4552 C=CCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000757094 [0,2,0,0,0,0|0,0,1]=3 13024 B18R2.4552 C=CCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000757094 [0,2,0,0,0,0|0,0,1]=3 13025 B18R2.4552 C=CCCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000757094 [0,2,0,0,0,0|0,0,1]=3 13026 B18R2.4552 C=CCCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000757094 [0,2,0,0,0,0|0,0,1]=3 13027 B18R2.4552 C=CCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000757094 [0,2,0,0,0,0|0,0,1]=3 13028 B18R2.4552 C=CCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000757094 [0,2,0,0,0,0|0,0,1]=3 13029 B18R2.4552 C=CCCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000757094 [0,2,0,0,0,0|0,0,1]=3 13030 B18R2.4552 C=CCCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000757094 [0,2,0,0,0,0|0,0,1]=3 13031 B18R2.4552 C=CCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000757094 [0,2,0,0,0,0|1,0,1]=4 13032 B18R2.4552 C=CCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000757094 [0,2,0,0,0,0|1,0,1]=4 13033 B18R2.4552 C=CCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000757094 [0,2,0,0,0,0|1,0,1]=4 13034 B18R2.4552 C=CCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000757094 [0,2,0,0,0,0|1,0,1]=4 13035 B18R2.4552 C=CCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000757094 [0,2,0,0,0,0|1,0,1]=4 13036 B18R2.4552 C=CCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000757094 [0,2,0,0,0,0|1,0,1]=4 13037 B18R2.4552 C=CCCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000757094 [0,2,0,0,0,0|0,1,1]=4 13038 B18R2.4552 C=CCCCSc1ccc2cccc(c2c1)N 62a_100011713584_100010090012 [0,2,0,0,0,0|0,1,1]=4 13039 B18R2.4552 C=CCCCSc1ccc2cccc(c2c1)O 62a_100011713584_100010089991 [0,2,0,0,0,0|0,1,1]=4 13040 B18R2.4552 C=COCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000039644 [0,2,0,0,0,0|0,0,2]=4 13041 B18R2.4552 C=COCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000039644 [0,2,0,0,0,0|0,0,2]=4 13042 B18R2.4552 C=COCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000039644 [0,2,0,0,0,0|0,0,2]=4 13043 B18R2.4552 C=COCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000039644 [0,2,0,0,0,0|0,0,2]=4 13044 B18R2.4552 C=COCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000039644 [0,2,0,0,0,0|0,0,2]=4 13045 B18R2.4552 C=COCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000039644 [0,2,0,0,0,0|0,0,2]=4 13046 B18R2.4552 C=COCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000039644 [0,2,0,0,0,0|0,0,2]=4 13047 B18R2.4552 C=COCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000039644 [0,2,0,0,0,0|0,0,2]=4 13048 B18R2.4552 CC/C=C\CNc1ccc2cccc(c2c1)O 34a_100132313934_100103147603 [0,2,0,0,0,0|1,0,1]=4 13049 B18R2.4552 CC/C=C\COc1ccc2cccc(c2c1)Br 34a_100010169565_100103147603 [0,2,0,0,0,0|0,0,1]=3 13050 B18R2.4552 CC/C=C\COc1ccc2cccc(c2c1)Br 7a_100010169565_100103147603 [0,2,0,0,0,0|0,0,1]=3 13051 B18R2.4552 CC/C=C\COc1ccc2cccc(c2c1)C 34a_200000091600_100103147603 [0,2,0,0,0,0|0,0,1]=3 13052 B18R2.4552 CC/C=C\COc1ccc2cccc(c2c1)C 7a_200000091600_100103147603 [0,2,0,0,0,0|0,0,1]=3 13053 B18R2.4552 CC/C=C\COc1ccc2cccc(c2c1)F 34a_100000091619_100103147603 [0,2,0,0,0,0|0,0,1]=3 13054 B18R2.4552 CC/C=C\COc1ccc2cccc(c2c1)F 7a_100000091619_100103147603 [0,2,0,0,0,0|0,0,1]=3 13055 B18R2.4552 CC/C=C\COc1ccc2cccc(c2c1)N 34a_100000034012_100103147603 [0,2,0,0,0,0|0,0,1]=3 13056 B18R2.4552 CC/C=C\COc1ccc2cccc(c2c1)N 7a_100000034012_100103147603 [0,2,0,0,0,0|0,0,1]=3 13057 B18R2.4552 CC/C=C\COc1ccc2ccnc(c2c1)Cl 34a_200009844553_100103147603 [0,2,0,0,0,0|1,0,1]=4 13058 B18R2.4552 CC/C=C\COc1ccc2ccnc(c2c1)Cl 7a_200009844553_100103147603 [0,2,0,0,0,0|1,0,1]=4 13059 B18R2.4552 CC/C=C\COc1ccc2nccc(c2c1)Br 34a_100010204251_100103147603 [0,2,0,0,0,0|1,0,1]=4 13060 B18R2.4552 CC/C=C\COc1ccc2nccc(c2c1)Br 7a_100010204251_100103147603 [0,2,0,0,0,0|1,0,1]=4 13061 B18R2.4552 CC/C=C\COc1ccc2nccc(c2c1)Cl 34a_100000075933_100103147603 [0,2,0,0,0,0|1,0,1]=4 13062 B18R2.4552 CC/C=C\COc1ccc2nccc(c2c1)Cl 7a_100000075933_100103147603 [0,2,0,0,0,0|1,0,1]=4 13063 B18R2.4552 CC/C=C\CSc1ccc2cccc(c2c1)N 62a_100010090012_100103147603 [0,2,0,0,0,0|0,1,1]=4 13064 B18R2.4552 CC/C=C\CSc1ccc2cccc(c2c1)N 62a_100103147603_100010090012 [0,2,0,0,0,0|0,1,1]=4 13065 B18R2.4552 CC/C=C\CSc1ccc2cccc(c2c1)O 62a_100103147603_100010089991 [0,2,0,0,0,0|0,1,1]=4 13066 B18R2.4552 CCC#CCNc1ccc2cccc(c2c1)O 34a_100132313934_100009813939 [0,2,0,0,0,0|1,0,1]=4 13067 B18R2.4552 CCC#CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100009813939 [0,2,0,0,0,0|0,0,1]=3 13068 B18R2.4552 CCC#CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100009813939 [0,2,0,0,0,0|0,0,1]=3 13069 B18R2.4552 CCC#CCOc1ccc2cccc(c2c1)C 34a_200000091600_100009813939 [0,2,0,0,0,0|0,0,1]=3 13070 B18R2.4552 CCC#CCOc1ccc2cccc(c2c1)C 7a_200000091600_100009813939 [0,2,0,0,0,0|0,0,1]=3 13071 B18R2.4552 CCC#CCOc1ccc2cccc(c2c1)F 34a_100000091619_100009813939 [0,2,0,0,0,0|0,0,1]=3 13072 B18R2.4552 CCC#CCOc1ccc2cccc(c2c1)F 7a_100000091619_100009813939 [0,2,0,0,0,0|0,0,1]=3 13073 B18R2.4552 CCC#CCOc1ccc2cccc(c2c1)N 34a_100000034012_100009813939 [0,2,0,0,0,0|0,0,1]=3 13074 B18R2.4552 CCC#CCOc1ccc2cccc(c2c1)N 7a_100000034012_100009813939 [0,2,0,0,0,0|0,0,1]=3 13075 B18R2.4552 CCC#CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100009813939 [0,2,0,0,0,0|1,0,1]=4 13076 B18R2.4552 CCC#CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100009813939 [0,2,0,0,0,0|1,0,1]=4 13077 B18R2.4552 CCC#CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100009813939 [0,2,0,0,0,0|1,0,1]=4 13078 B18R2.4552 CCC#CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100009813939 [0,2,0,0,0,0|1,0,1]=4 13079 B18R2.4552 CCC#CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100009813939 [0,2,0,0,0,0|1,0,1]=4 13080 B18R2.4552 CCC#CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100009813939 [0,2,0,0,0,0|1,0,1]=4 13081 B18R2.4552 CCC#CCSc1ccc2cccc(c2c1)C 62a_100009813939_100010089936 [0,2,0,0,0,0|0,1,1]=4 13082 B18R2.4552 CCC#CCSc1ccc2cccc(c2c1)N 62a_100009813939_100010090012 [0,2,0,0,0,0|0,1,1]=4 13083 B18R2.4552 CCC#CCSc1ccc2cccc(c2c1)N 62a_100010090012_100009813939 [0,2,0,0,0,0|0,1,1]=4 13084 B18R2.4552 CCC#CCSc1ccc2cccc(c2c1)O 62a_100009813939_100010089991 [0,2,0,0,0,0|0,1,1]=4 13085 B18R2.4552 CCCCC=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100016275911_100000746092 [0,2,0,0,0,0|2,0,0]=4 13086 B18R2.4552 CCCCC=Cc1ccc2cccc(c2c1)N 271570a_100016275911_100010090012 [0,2,0,0,0,0|1,0,0]=3 13087 B18R2.4552 CCCCC=Cc1ccc2cccc(c2c1)O 271570a_100016275911_100010089991 [0,2,0,0,0,0|1,0,0]=3 13088 B18R2.4552 CCCCC=Cc1ccc2cccc(c2n1)C 271570a_100016275911_100012002297 [0,2,0,0,0,0|2,0,0]=4 13089 B18R2.4552 CCCCC=Cc1ccc2cccc(c2n1)F 271570a_100016275911_100012017632 [0,2,0,0,0,0|2,0,0]=4 13090 B18R2.4552 CCCCC=Cc1ccc2cccc(c2n1)O 271570a_100016275911_100010153751 [0,2,0,0,0,0|2,0,0]=4 13091 B18R2.4552 CCCCC=Cc1ccc2ccnc(c2c1)C 271570a_100016275911_200010739692 [0,2,0,0,0,0|2,0,0]=4 13092 B18R2.4552 CCCCC=Cc1ccc2ccnc(c2c1)N 271570a_100016275911_100012352255 [0,2,0,0,0,0|2,0,0]=4 13093 B18R2.4552 CCCCC=Cc1ccc2ccnc(c2c1)O 271570a_100016275911_100000010956 [0,2,0,0,0,0|2,0,0]=4 13094 B18R2.4552 CCCCC=Cc1ccc2cncc(c2c1)O 271570a_100016275911_100010136424 [0,2,0,0,0,0|2,0,0]=4 13095 B18R2.4552 CCCCC=Cc1ccc2nccc(c2c1)C 271570a_100016275911_100009817033 [0,2,0,0,0,0|2,0,0]=4 13096 B18R2.4552 CCCCC=Cc1ccc2nccc(c2c1)N 271570a_100016275911_100011620571 [0,2,0,0,0,0|2,0,0]=4 13097 B18R2.4552 CCCCC=Cc1ccc2occc(=O)c2c1 271570a_100016275911_100009813387 [0,2,0,0,0,0|2,0,0]=4 13098 B18R2.4552 CCCCC=Cc1cnc2cccc(c2c1)N 271570a_100016275911_100010264086 [0,2,0,0,0,0|2,0,0]=4 13099 B18R2.4552 CCCCC=Cc1cnc2cccc(c2c1)O 271570a_100016275911_200010153752 [0,2,0,0,0,0|2,0,0]=4 13100 B18R2.4552 CCCCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000718602 [0,2,0,0,0,0|1,0,0]=3 13101 B18R2.4552 CCCCCNc1ccc2cccc(c2n1)C 27a_100000209983_100012002297 [0,2,0,0,0,0|2,0,0]=4 13102 B18R2.4552 CCCCCNc1ccc2cccc(c2n1)O 27a_100000209983_100010153751 [0,2,0,0,0,0|2,0,0]=4 13103 B18R2.4552 CCCCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000718602 [0,2,0,0,0,0|2,0,0]=4 13104 B18R2.4552 CCCCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000718602 [0,2,0,0,0,0|2,0,0]=4 13105 B18R2.4552 CCCCCNc1ccc2occc(=O)c2c1 34a_100000088200_100000718602 [0,2,0,0,0,0|2,0,0]=4 13106 B18R2.4552 CCCCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000718602 [0,2,0,0,0,0|0,0,0]=2 13107 B18R2.4552 CCCCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000210326 [0,2,0,0,0,0|0,0,0]=2 13108 B18R2.4552 CCCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000718602 [0,2,0,0,0,0|0,0,0]=2 13109 B18R2.4552 CCCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210326 [0,2,0,0,0,0|0,0,0]=2 13110 B18R2.4552 CCCCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000718602 [0,2,0,0,0,0|0,0,0]=2 13111 B18R2.4552 CCCCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210326 [0,2,0,0,0,0|0,0,0]=2 13112 B18R2.4552 CCCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000718602 [0,2,0,0,0,0|1,0,0]=3 13113 B18R2.4552 CCCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210326 [0,2,0,0,0,0|1,0,0]=3 13114 B18R2.4552 CCCCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210326 [0,2,0,0,0,0|2,0,0]=4 13115 B18R2.4552 CCCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000718602 [0,2,0,0,0,0|1,0,0]=3 13116 B18R2.4552 CCCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210326 [0,2,0,0,0,0|1,0,0]=3 13117 B18R2.4552 CCCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000718602 [0,2,0,0,0,0|1,0,0]=3 13118 B18R2.4552 CCCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210326 [0,2,0,0,0,0|1,0,0]=3 13119 B18R2.4552 CCCCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210326_100000746092 [0,2,0,0,0,0|1,1,0]=4 13120 B18R2.4552 CCCCCSc1ccc2cccc(c2c1)N 62a_100000210326_100010090012 [0,2,0,0,0,0|0,1,0]=3 13121 B18R2.4552 CCCCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210326 [0,2,0,0,0,0|0,1,0]=3 13122 B18R2.4552 CCCCCSc1ccc2cccc(c2c1)O 62a_100000210326_100010089991 [0,2,0,0,0,0|0,1,0]=3 13123 B18R2.4552 CCCCCSc1ccc2cccc(c2n1)C 62a_100000210326_100012002297 [0,2,0,0,0,0|1,1,0]=4 13124 B18R2.4552 CCCCCSc1ccc2cccc(c2n1)F 62a_100000210326_100012017632 [0,2,0,0,0,0|1,1,0]=4 13125 B18R2.4552 CCCCCSc1ccc2cccc(c2n1)O 62a_100000210326_100000013812 [0,2,0,0,0,0|1,1,0]=4 13126 B18R2.4552 CCCCCSc1ccc2ccnc(c2c1)C 62a_100000210326_200010739692 [0,2,0,0,0,0|1,1,0]=4 13127 B18R2.4552 CCCCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000210326 [0,2,0,0,0,0|1,1,0]=4 13128 B18R2.4552 CCCCCSc1ccc2ccnc(c2c1)N 62a_100000210326_100012352255 [0,2,0,0,0,0|1,1,0]=4 13129 B18R2.4552 CCCCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000210326 [0,2,0,0,0,0|1,1,0]=4 13130 B18R2.4552 CCCCCSc1ccc2ccnc(c2c1)O 62a_100000210326_100000010956 [0,2,0,0,0,0|1,1,0]=4 13131 B18R2.4552 CCCCCSc1ccc2cncc(c2c1)O 62a_100000210326_100010136424 [0,2,0,0,0,0|1,1,0]=4 13132 B18R2.4552 CCCCCSc1ccc2nccc(c2c1)C 62a_100000210326_100009817033 [0,2,0,0,0,0|1,1,0]=4 13133 B18R2.4552 CCCCCSc1ccc2nccc(c2c1)C 62a_100009817033_100000210326 [0,2,0,0,0,0|1,1,0]=4 13134 B18R2.4552 CCCCCSc1ccc2nccc(c2c1)N 62a_100000210326_100011620571 [0,2,0,0,0,0|1,1,0]=4 13135 B18R2.4552 CCCCCSc1ccc2nccc(c2c1)N 62a_100011620571_100000210326 [0,2,0,0,0,0|1,1,0]=4 13136 B18R2.4552 CCCCCSc1ccc2occc(=O)c2c1 62a_100000210326_100009813387 [0,2,0,0,0,0|1,1,0]=4 13137 B18R2.4552 CCCCCSc1cnc2cccc(c2c1)N 62a_100000210326_100010264086 [0,2,0,0,0,0|1,1,0]=4 13138 B18R2.4552 CCCCCSc1cnc2cccc(c2c1)N 62a_100010264086_100000210326 [0,2,0,0,0,0|1,1,0]=4 13139 B18R2.4552 CCCCCSc1cnc2cccc(c2c1)O 62a_100000210326_200010153752 [0,2,0,0,0,0|1,1,0]=4 13140 B18R2.4552 CCCCNCc1ccc2cccc(c2n1)Cl 207a_100000102301_200000068262 [0,2,0,0,0,0|2,0,0]=4 13141 B18R2.4552 CCCCNCc1ccc2cccc(c2n1)Cl 270004a_100000102301_200000068262 [0,2,0,0,0,0|2,0,0]=4 13142 B18R2.4552 CCCCNCc1ccc2cccc(c2n1)F 207a_100000102301_100000068176 [0,2,0,0,0,0|2,0,0]=4 13143 B18R2.4552 CCCCNCc1ccc2cccc(c2n1)F 270004a_100000102301_100000068176 [0,2,0,0,0,0|2,0,0]=4 13144 B18R2.4552 CCCCNCc1ccc2ccnc(c2c1)Cl 207a_100000102301_100000094387 [0,2,0,0,0,0|2,0,0]=4 13145 B18R2.4552 CCCCOCc1ccc2ncnc(c2c1)Cl 34a_100000210227_200010205392 [0,2,0,0,0,0|2,0,0]=4 13146 B18R2.4552 CCCCOCc1ccc2ncnc(c2c1)Cl 7a_100000210227_200010205392 [0,2,0,0,0,0|2,0,0]=4 13147 B18R2.4552 CCOCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210147 [0,2,0,0,0,0|1,0,0]=3 13148 B18R2.4552 CCOCCNc1ccc2cccc(c2n1)C 27a_100011200944_100012002297 [0,2,0,0,0,0|2,0,0]=4 13149 B18R2.4552 CCOCCNc1ccc2cccc(c2n1)O 27a_100011200944_100010153751 [0,2,0,0,0,0|2,0,0]=4 13150 B18R2.4552 CCOCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210147 [0,2,0,0,0,0|2,0,0]=4 13151 B18R2.4552 CCOCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210147 [0,2,0,0,0,0|2,0,0]=4 13152 B18R2.4552 CCOCCNc1ccc2occc(=O)c2c1 34a_100000088200_100000210147 [0,2,0,0,0,0|2,0,0]=4 13153 B18R2.4552 CCOCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210147 [0,2,0,0,0,0|0,0,0]=2 13154 B18R2.4552 CCOCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100011215890 [0,2,0,0,0,0|0,0,0]=2 13155 B18R2.4552 CCOCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000210147 [0,2,0,0,0,0|0,0,0]=2 13156 B18R2.4552 CCOCCOc1ccc2cccc(c2c1)C 7a_200000091600_100011215890 [0,2,0,0,0,0|0,0,0]=2 13157 B18R2.4552 CCOCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210147 [0,2,0,0,0,0|0,0,0]=2 13158 B18R2.4552 CCOCCOc1ccc2cccc(c2c1)F 7a_100000091619_100011215890 [0,2,0,0,0,0|0,0,0]=2 13159 B18R2.4552 CCOCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210147 [0,2,0,0,0,0|0,0,0]=2 13160 B18R2.4552 CCOCCOc1ccc2cccc(c2c1)N 7a_100000034012_100011215890 [0,2,0,0,0,0|0,0,0]=2 13161 B18R2.4552 CCOCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210147 [0,2,0,0,0,0|1,0,0]=3 13162 B18R2.4552 CCOCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100011215890 [0,2,0,0,0,0|1,0,0]=3 13163 B18R2.4552 CCOCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100011215890 [0,2,0,0,0,0|2,0,0]=4 13164 B18R2.4552 CCOCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210147 [0,2,0,0,0,0|1,0,0]=3 13165 B18R2.4552 CCOCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100011215890 [0,2,0,0,0,0|1,0,0]=3 13166 B18R2.4552 CCOCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210147 [0,2,0,0,0,0|1,0,0]=3 13167 B18R2.4552 CCOCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100011215890 [0,2,0,0,0,0|1,0,0]=3 13168 B18R2.4552 CCOCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210147_100000746092 [0,2,0,0,0,0|1,1,0]=4 13169 B18R2.4552 CCOCCSc1ccc2cccc(c2c1)C 62a_100000210147_100010089936 [0,2,0,0,0,0|0,1,0]=3 13170 B18R2.4552 CCOCCSc1ccc2cccc(c2c1)N 62a_100000210147_100010090012 [0,2,0,0,0,0|0,1,0]=3 13171 B18R2.4552 CCOCCSc1ccc2cccc(c2c1)N 62a_100010090012_100011215890 [0,2,0,0,0,0|0,1,0]=3 13172 B18R2.4552 CCOCCSc1ccc2cccc(c2c1)O 62a_100000210147_100010089991 [0,2,0,0,0,0|0,1,0]=3 13173 B18R2.4552 CCOCCSc1ccc2cccc(c2n1)C 62a_100000210147_100012002297 [0,2,0,0,0,0|1,1,0]=4 13174 B18R2.4552 CCOCCSc1ccc2cccc(c2n1)F 62a_100000210147_100012017632 [0,2,0,0,0,0|1,1,0]=4 13175 B18R2.4552 CCOCCSc1ccc2cccc(c2n1)O 62a_100000210147_100000013812 [0,2,0,0,0,0|1,1,0]=4 13176 B18R2.4552 CCOCCSc1ccc2ccnc(c2c1)C 62a_100000210147_200010739692 [0,2,0,0,0,0|1,1,0]=4 13177 B18R2.4552 CCOCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100011215890 [0,2,0,0,0,0|1,1,0]=4 13178 B18R2.4552 CCOCCSc1ccc2ccnc(c2c1)N 62a_100000210147_100012352255 [0,2,0,0,0,0|1,1,0]=4 13179 B18R2.4552 CCOCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100011215890 [0,2,0,0,0,0|1,1,0]=4 13180 B18R2.4552 CCOCCSc1ccc2ccnc(c2c1)O 62a_100000210147_100000010956 [0,2,0,0,0,0|1,1,0]=4 13181 B18R2.4552 CCOCCSc1ccc2cncc(c2c1)O 62a_100000210147_100010136424 [0,2,0,0,0,0|1,1,0]=4 13182 B18R2.4552 CCOCCSc1ccc2nccc(c2c1)C 62a_100000210147_100009817033 [0,2,0,0,0,0|1,1,0]=4 13183 B18R2.4552 CCOCCSc1ccc2nccc(c2c1)C 62a_100009817033_100011215890 [0,2,0,0,0,0|1,1,0]=4 13184 B18R2.4552 CCOCCSc1ccc2nccc(c2c1)Cl 62a_100000210147_100011310491 [0,2,0,0,0,0|1,1,0]=4 13185 B18R2.4552 CCOCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100011215890 [0,2,0,0,0,0|1,1,0]=4 13186 B18R2.4552 CCOCCSc1ccc2nccc(c2c1)N 62a_100000210147_100011620571 [0,2,0,0,0,0|1,1,0]=4 13187 B18R2.4552 CCOCCSc1ccc2nccc(c2c1)N 62a_100011620571_100011215890 [0,2,0,0,0,0|1,1,0]=4 13188 B18R2.4552 CCOCCSc1ccc2occc(=O)c2c1 62a_100000210147_100009813387 [0,2,0,0,0,0|1,1,0]=4 13189 B18R2.4552 CCOCCSc1cnc2cccc(c2c1)N 62a_100000210147_100010264086 [0,2,0,0,0,0|1,1,0]=4 13190 B18R2.4552 CCOCCSc1cnc2cccc(c2c1)N 62a_100010264086_100011215890 [0,2,0,0,0,0|1,1,0]=4 13191 B18R2.4552 CCOCCSc1cnc2cccc(c2c1)O 62a_100000210147_200010153752 [0,2,0,0,0,0|1,1,0]=4 13192 B18R2.4552 CCSCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000757381 [0,2,0,0,0,0|1,0,0]=3 13193 B18R2.4552 CCSCCNc1ccc2cccc(c2n1)C 27a_100000106463_100012002297 [0,2,0,0,0,0|2,0,0]=4 13194 B18R2.4552 CCSCCNc1ccc2cccc(c2n1)O 27a_100000106463_100010153751 [0,2,0,0,0,0|2,0,0]=4 13195 B18R2.4552 CCSCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000757381 [0,2,0,0,0,0|2,0,0]=4 13196 B18R2.4552 CCSCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000757381 [0,2,0,0,0,0|2,0,0]=4 13197 B18R2.4552 CCSCCNc1ccc2occc(=O)c2c1 34a_100000088200_100000757381 [0,2,0,0,0,0|2,0,0]=4 13198 B18R2.4552 CCSCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000757381 [0,2,0,0,0,0|0,0,0]=2 13199 B18R2.4552 CCSCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000757381 [0,2,0,0,0,0|0,0,0]=2 13200 B18R2.4552 CCSCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000757381 [0,2,0,0,0,0|0,0,0]=2 13201 B18R2.4552 CCSCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000757381 [0,2,0,0,0,0|0,0,0]=2 13202 B18R2.4552 CCSCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000757381 [0,2,0,0,0,0|0,0,0]=2 13203 B18R2.4552 CCSCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000757381 [0,2,0,0,0,0|0,0,0]=2 13204 B18R2.4552 CCSCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000757381 [0,2,0,0,0,0|0,0,0]=2 13205 B18R2.4552 CCSCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000757381 [0,2,0,0,0,0|0,0,0]=2 13206 B18R2.4552 CCSCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000757381 [0,2,0,0,0,0|1,0,0]=3 13207 B18R2.4552 CCSCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000757381 [0,2,0,0,0,0|1,0,0]=3 13208 B18R2.4552 CCSCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000757381 [0,2,0,0,0,0|2,0,0]=4 13209 B18R2.4552 CCSCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000757381 [0,2,0,0,0,0|1,0,0]=3 13210 B18R2.4552 CCSCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000757381 [0,2,0,0,0,0|1,0,0]=3 13211 B18R2.4552 CCSCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000757381 [0,2,0,0,0,0|1,0,0]=3 13212 B18R2.4552 CCSCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000757381 [0,2,0,0,0,0|1,0,0]=3 13213 B18R2.4552 CCSCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000757381_100000746092 [0,2,0,0,0,0|1,1,0]=4 13214 B18R2.4552 CCSCCSc1ccc2cccc(c2c1)C 62a_100000757381_100010089936 [0,2,0,0,0,0|0,1,0]=3 13215 B18R2.4552 CCSCCSc1ccc2cccc(c2c1)N 62a_100000757381_100010090012 [0,2,0,0,0,0|0,1,0]=3 13216 B18R2.4552 CCSCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000757381 [0,2,0,0,0,0|0,1,0]=3 13217 B18R2.4552 CCSCCSc1ccc2cccc(c2c1)O 62a_100000757381_100010089991 [0,2,0,0,0,0|0,1,0]=3 13218 B18R2.4552 CCSCCSc1ccc2cccc(c2n1)C 62a_100000757381_100012002297 [0,2,0,0,0,0|1,1,0]=4 13219 B18R2.4552 CCSCCSc1ccc2cccc(c2n1)F 62a_100000757381_100012017632 [0,2,0,0,0,0|1,1,0]=4 13220 B18R2.4552 CCSCCSc1ccc2cccc(c2n1)O 62a_100000757381_100000013812 [0,2,0,0,0,0|1,1,0]=4 13221 B18R2.4552 CCSCCSc1ccc2ccnc(c2c1)C 62a_100000757381_200010739692 [0,2,0,0,0,0|1,1,0]=4 13222 B18R2.4552 CCSCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000757381 [0,2,0,0,0,0|1,1,0]=4 13223 B18R2.4552 CCSCCSc1ccc2ccnc(c2c1)N 62a_100000757381_100012352255 [0,2,0,0,0,0|1,1,0]=4 13224 B18R2.4552 CCSCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000757381 [0,2,0,0,0,0|1,1,0]=4 13225 B18R2.4552 CCSCCSc1ccc2ccnc(c2c1)O 62a_100000757381_100000010956 [0,2,0,0,0,0|1,1,0]=4 13226 B18R2.4552 CCSCCSc1ccc2cncc(c2c1)O 62a_100000757381_100010136424 [0,2,0,0,0,0|1,1,0]=4 13227 B18R2.4552 CCSCCSc1ccc2nccc(c2c1)C 62a_100000757381_100009817033 [0,2,0,0,0,0|1,1,0]=4 13228 B18R2.4552 CCSCCSc1ccc2nccc(c2c1)C 62a_100009817033_100000757381 [0,2,0,0,0,0|1,1,0]=4 13229 B18R2.4552 CCSCCSc1ccc2nccc(c2c1)Cl 62a_100000757381_100011310491 [0,2,0,0,0,0|1,1,0]=4 13230 B18R2.4552 CCSCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000757381 [0,2,0,0,0,0|1,1,0]=4 13231 B18R2.4552 CCSCCSc1ccc2nccc(c2c1)N 62a_100000757381_100011620571 [0,2,0,0,0,0|1,1,0]=4 13232 B18R2.4552 CCSCCSc1ccc2nccc(c2c1)N 62a_100011620571_100000757381 [0,2,0,0,0,0|1,1,0]=4 13233 B18R2.4552 CCSCCSc1ccc2occc(=O)c2c1 62a_100000757381_100009813387 [0,2,0,0,0,0|1,1,0]=4 13234 B18R2.4552 CCSCCSc1cnc2cccc(c2c1)N 62a_100000757381_100010264086 [0,2,0,0,0,0|1,1,0]=4 13235 B18R2.4552 CCSCCSc1cnc2cccc(c2c1)N 62a_100010264086_100000757381 [0,2,0,0,0,0|1,1,0]=4 13236 B18R2.4552 CCSCCSc1cnc2cccc(c2c1)O 62a_100000757381_200010153752 [0,2,0,0,0,0|1,1,0]=4 13237 B18R2.4552 COCCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000740836 [0,2,0,0,0,0|1,0,0]=3 13238 B18R2.4552 COCCCNc1ccc2cccc(c2n1)C 27a_100150723488_100012002297 [0,2,0,0,0,0|2,0,0]=4 13239 B18R2.4552 COCCCNc1ccc2cccc(c2n1)O 27a_100150723488_100010153751 [0,2,0,0,0,0|2,0,0]=4 13240 B18R2.4552 COCCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000740836 [0,2,0,0,0,0|2,0,0]=4 13241 B18R2.4552 COCCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000740836 [0,2,0,0,0,0|2,0,0]=4 13242 B18R2.4552 COCCCNc1ccc2occc(=O)c2c1 34a_100000088200_100000740836 [0,2,0,0,0,0|2,0,0]=4 13243 B18R2.4552 COCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000740836 [0,2,0,0,0,0|0,0,0]=2 13244 B18R2.4552 COCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000740836 [0,2,0,0,0,0|0,0,0]=2 13245 B18R2.4552 COCCCOc1ccc2cccc(c2c1)C 34a_200000091600_100000740836 [0,2,0,0,0,0|0,0,0]=2 13246 B18R2.4552 COCCCOc1ccc2cccc(c2c1)C 7a_200000091600_100000740836 [0,2,0,0,0,0|0,0,0]=2 13247 B18R2.4552 COCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000740836 [0,2,0,0,0,0|0,0,0]=2 13248 B18R2.4552 COCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000740836 [0,2,0,0,0,0|0,0,0]=2 13249 B18R2.4552 COCCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000740836 [0,2,0,0,0,0|0,0,0]=2 13250 B18R2.4552 COCCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000740836 [0,2,0,0,0,0|0,0,0]=2 13251 B18R2.4552 COCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000740836 [0,2,0,0,0,0|1,0,0]=3 13252 B18R2.4552 COCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000740836 [0,2,0,0,0,0|1,0,0]=3 13253 B18R2.4552 COCCCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000740836 [0,2,0,0,0,0|2,0,0]=4 13254 B18R2.4552 COCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000740836 [0,2,0,0,0,0|1,0,0]=3 13255 B18R2.4552 COCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000740836 [0,2,0,0,0,0|1,0,0]=3 13256 B18R2.4552 COCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000740836 [0,2,0,0,0,0|1,0,0]=3 13257 B18R2.4552 COCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000740836 [0,2,0,0,0,0|1,0,0]=3 13258 B18R2.4552 COCCCSc1ccc2[nH]ccc(=O)c2c1 62a_100000709357_100000746092 [0,2,0,0,0,0|1,1,0]=4 13259 B18R2.4552 COCCCSc1ccc2cccc(c2c1)C 62a_100000709357_100010089936 [0,2,0,0,0,0|0,1,0]=3 13260 B18R2.4552 COCCCSc1ccc2cccc(c2c1)N 62a_100000709357_100010090012 [0,2,0,0,0,0|0,1,0]=3 13261 B18R2.4552 COCCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000709357 [0,2,0,0,0,0|0,1,0]=3 13262 B18R2.4552 COCCCSc1ccc2cccc(c2c1)O 62a_100000709357_100010089991 [0,2,0,0,0,0|0,1,0]=3 13263 B18R2.4552 COCCCSc1ccc2cccc(c2n1)C 62a_100000709357_100012002297 [0,2,0,0,0,0|1,1,0]=4 13264 B18R2.4552 COCCCSc1ccc2cccc(c2n1)F 62a_100000709357_100012017632 [0,2,0,0,0,0|1,1,0]=4 13265 B18R2.4552 COCCCSc1ccc2cccc(c2n1)O 62a_100000709357_100000013812 [0,2,0,0,0,0|1,1,0]=4 13266 B18R2.4552 COCCCSc1ccc2ccnc(c2c1)C 62a_100000709357_200010739692 [0,2,0,0,0,0|1,1,0]=4 13267 B18R2.4552 COCCCSc1ccc2ccnc(c2c1)C 62a_200010739692_100000709357 [0,2,0,0,0,0|1,1,0]=4 13268 B18R2.4552 COCCCSc1ccc2ccnc(c2c1)N 62a_100000709357_100012352255 [0,2,0,0,0,0|1,1,0]=4 13269 B18R2.4552 COCCCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000709357 [0,2,0,0,0,0|1,1,0]=4 13270 B18R2.4552 COCCCSc1ccc2ccnc(c2c1)O 62a_100000709357_100000010956 [0,2,0,0,0,0|1,1,0]=4 13271 B18R2.4552 COCCCSc1ccc2cncc(c2c1)O 62a_100000709357_100010136424 [0,2,0,0,0,0|1,1,0]=4 13272 B18R2.4552 COCCCSc1ccc2nccc(c2c1)C 62a_100000709357_100009817033 [0,2,0,0,0,0|1,1,0]=4 13273 B18R2.4552 COCCCSc1ccc2nccc(c2c1)C 62a_100009817033_100000709357 [0,2,0,0,0,0|1,1,0]=4 13274 B18R2.4552 COCCCSc1ccc2nccc(c2c1)Cl 62a_100000709357_100011310491 [0,2,0,0,0,0|1,1,0]=4 13275 B18R2.4552 COCCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000709357 [0,2,0,0,0,0|1,1,0]=4 13276 B18R2.4552 COCCCSc1ccc2nccc(c2c1)N 62a_100000709357_100011620571 [0,2,0,0,0,0|1,1,0]=4 13277 B18R2.4552 COCCCSc1ccc2nccc(c2c1)N 62a_100011620571_100000709357 [0,2,0,0,0,0|1,1,0]=4 13278 B18R2.4552 COCCCSc1ccc2occc(=O)c2c1 62a_100000709357_100009813387 [0,2,0,0,0,0|1,1,0]=4 13279 B18R2.4552 COCCCSc1cnc2cccc(c2c1)N 62a_100000709357_100010264086 [0,2,0,0,0,0|1,1,0]=4 13280 B18R2.4552 COCCCSc1cnc2cccc(c2c1)N 62a_100010264086_100000709357 [0,2,0,0,0,0|1,1,0]=4 13281 B18R2.4552 COCCCSc1cnc2cccc(c2c1)O 62a_100000709357_200010153752 [0,2,0,0,0,0|1,1,0]=4 13282 B18R2.4552 CSCCCNc1ccc2cccc(c2n1)C 27a_100000749238_100012002297 [0,2,0,0,0,0|2,0,0]=4 13283 B18R2.4552 CSCCCNc1ccc2cccc(c2n1)O 27a_100000749238_100010153751 [0,2,0,0,0,0|2,0,0]=4 13284 B18R2.4552 Cc1cccc2c1cc(cc2)OCC#CCO 34a_200000091600_200000047223 [0,2,0,0,0,0|0,0,2]=4 13285 B18R2.4552 Cc1cccc2c1cc(cc2)OCC#CCO 7a_200000091600_200000047223 [0,2,0,0,0,0|0,0,2]=4 13286 B18R2.4552 Cc1cccc2c1cc(cc2)OCCCC#N 7a_200000091600_100000687738 [0,2,0,0,0,0|0,0,1]=3 13287 B18R2.4552 Cc1cccc2c1cc(cc2)OCCCC=O 7a_200000091600_200011292268 [0,2,0,0,0,0|0,0,1]=3 13288 B18R2.4552 Cc1cccc2c1cc(cc2)OCCCCF 34a_200000091600_100000729493 [0,2,0,0,0,0|0,0,0]=2 13289 B18R2.4552 Cc1cccc2c1cc(cc2)OCCCCF 7a_200000091600_100000729493 [0,2,0,0,0,0|0,0,0]=2 13290 B18R2.4552 Cc1cccc2c1cc(cc2)OCCCCO 34a_200000091600_100011216708 [0,2,0,0,0,0|0,0,0]=2 13291 B18R2.4552 Cc1cccc2c1cc(cc2)OCCCCO 7a_200000091600_100000210776 [0,2,0,0,0,0|0,0,0]=2 13292 B18R2.4552 Cc1cccc2c1cc(cc2)SCCCC#N 62a_100000687738_100010089936 [0,2,0,0,0,0|0,1,1]=4 13293 B18R2.4552 Cc1cccc2c1cc(cc2)SCCCC=O 62a_200011292268_100010089936 [0,2,0,0,0,0|0,1,1]=4 13294 B18R2.4552 Cc1cccc2c1cc(cc2)SCCCCF 62a_100000729493_100010089936 [0,2,0,0,0,0|0,1,0]=3 13295 B18R2.4552 Cc1cccc2c1cc(cc2)SCCCCO 62a_100000210776_100010089936 [0,2,0,0,0,0|0,1,0]=3 13296 B18R2.4552 Cc1cccc2c1nc(cc2)NCCCCO 27a_100000750430_100012002297 [0,2,0,0,0,0|2,0,0]=4 13297 B18R2.4552 Cc1cccc2c1nc(cc2)SCCCCF 62a_100000729493_100012002297 [0,2,0,0,0,0|1,1,0]=4 13298 B18R2.4552 Cc1cccc2c1nc(cc2)SCCCCO 62a_100000210776_100012002297 [0,2,0,0,0,0|1,1,0]=4 13299 B18R2.4552 Cc1ccnc2c1cc(cc2)SCCCCF 62a_100000729493_100009817033 [0,2,0,0,0,0|1,1,0]=4 13300 B18R2.4552 Cc1ccnc2c1cc(cc2)SCCCCF 62a_100009817033_100000729493 [0,2,0,0,0,0|1,1,0]=4 13301 B18R2.4552 Cc1ccnc2c1cc(cc2)SCCCCO 62a_100000210776_100009817033 [0,2,0,0,0,0|1,1,0]=4 13302 B18R2.4552 Cc1ccnc2c1cc(cc2)SCCCCO 62a_100009817033_100000210776 [0,2,0,0,0,0|1,1,0]=4 13303 B18R2.4552 Cc1nccc2c1cc(cc2)SCCCCF 62a_100000729493_200010739692 [0,2,0,0,0,0|1,1,0]=4 13304 B18R2.4552 Cc1nccc2c1cc(cc2)SCCCCF 62a_200010739692_100000729493 [0,2,0,0,0,0|1,1,0]=4 13305 B18R2.4552 Cc1nccc2c1cc(cc2)SCCCCO 62a_100000210776_200010739692 [0,2,0,0,0,0|1,1,0]=4 13306 B18R2.4552 Cc1nccc2c1cc(cc2)SCCCCO 62a_200010739692_100000210776 [0,2,0,0,0,0|1,1,0]=4 13307 B18R2.4552 FCCCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000729493 [0,2,0,0,0,0|2,0,0]=4 13308 B18R2.4552 FCCCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000729493 [0,2,0,0,0,0|2,0,0]=4 13309 B18R2.4552 FCCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000729493 [0,2,0,0,0,0|0,0,0]=2 13310 B18R2.4552 FCCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000729493 [0,2,0,0,0,0|0,0,0]=2 13311 B18R2.4552 FCCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000729493 [0,2,0,0,0,0|0,0,0]=2 13312 B18R2.4552 FCCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000729493 [0,2,0,0,0,0|0,0,0]=2 13313 B18R2.4552 FCCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000729493 [0,2,0,0,0,0|1,0,0]=3 13314 B18R2.4552 FCCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000729493 [0,2,0,0,0,0|1,0,0]=3 13315 B18R2.4552 FCCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000729493 [0,2,0,0,0,0|1,0,0]=3 13316 B18R2.4552 FCCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000729493 [0,2,0,0,0,0|1,0,0]=3 13317 B18R2.4552 FCCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000729493 [0,2,0,0,0,0|1,0,0]=3 13318 B18R2.4552 FCCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000729493 [0,2,0,0,0,0|1,0,0]=3 13319 B18R2.4552 FCCCCSc1ccc2cccc(c2n1)F 62a_100000729493_100012017632 [0,2,0,0,0,0|1,1,0]=4 13320 B18R2.4552 FCCCCSc1ccc2nccc(c2c1)Cl 62a_100000729493_100011310491 [0,2,0,0,0,0|1,1,0]=4 13321 B18R2.4552 FCCCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000729493 [0,2,0,0,0,0|1,1,0]=4 13322 B18R2.4552 N#CCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000687738 [0,2,0,0,0,0|0,0,1]=3 13323 B18R2.4552 N#CCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000687738 [0,2,0,0,0,0|0,0,1]=3 13324 B18R2.4552 N#CCCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000687738 [0,2,0,0,0,0|0,0,1]=3 13325 B18R2.4552 N#CCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000687738 [0,2,0,0,0,0|1,0,1]=4 13326 B18R2.4552 N#CCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000687738 [0,2,0,0,0,0|1,0,1]=4 13327 B18R2.4552 N#CCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000687738 [0,2,0,0,0,0|1,0,1]=4 13328 B18R2.4552 N#CCCCSc1ccc2cccc(c2c1)N 62a_100000687738_100010090012 [0,2,0,0,0,0|0,1,1]=4 13329 B18R2.4552 N#CCCCSc1ccc2cccc(c2c1)N 62a_100010090012_100000687738 [0,2,0,0,0,0|0,1,1]=4 13330 B18R2.4552 N#CCCCSc1ccc2cccc(c2c1)O 62a_100000687738_100010089991 [0,2,0,0,0,0|0,1,1]=4 13331 B18R2.4552 Nc1cccc2c1cc(cc2)OCC#CCO 34a_100000034012_200000047223 [0,2,0,0,0,0|0,0,2]=4 13332 B18R2.4552 Nc1cccc2c1cc(cc2)OCC#CCO 7a_100000034012_200000047223 [0,2,0,0,0,0|0,0,2]=4 13333 B18R2.4552 Nc1cccc2c1cc(cc2)OCCCC=O 7a_100000034012_200011292268 [0,2,0,0,0,0|0,0,1]=3 13334 B18R2.4552 Nc1cccc2c1cc(cc2)OCCCCF 34a_100000034012_100000729493 [0,2,0,0,0,0|0,0,0]=2 13335 B18R2.4552 Nc1cccc2c1cc(cc2)OCCCCF 7a_100000034012_100000729493 [0,2,0,0,0,0|0,0,0]=2 13336 B18R2.4552 Nc1cccc2c1cc(cc2)OCCCCO 34a_100000034012_100011216708 [0,2,0,0,0,0|0,0,0]=2 13337 B18R2.4552 Nc1cccc2c1cc(cc2)OCCCCO 7a_100000034012_100000210776 [0,2,0,0,0,0|0,0,0]=2 13338 B18R2.4552 Nc1cccc2c1cc(cc2)SCCCC=O 62a_100010090012_200011292268 [0,2,0,0,0,0|0,1,1]=4 13339 B18R2.4552 Nc1cccc2c1cc(cc2)SCCCC=O 62a_200011292268_100010090012 [0,2,0,0,0,0|0,1,1]=4 13340 B18R2.4552 Nc1cccc2c1cc(cc2)SCCCCF 62a_100000729493_100010090012 [0,2,0,0,0,0|0,1,0]=3 13341 B18R2.4552 Nc1cccc2c1cc(cc2)SCCCCF 62a_100010090012_100000729493 [0,2,0,0,0,0|0,1,0]=3 13342 B18R2.4552 Nc1cccc2c1cc(cc2)SCCCCO 62a_100000210776_100010090012 [0,2,0,0,0,0|0,1,0]=3 13343 B18R2.4552 Nc1cccc2c1cc(cc2)SCCCCO 62a_100010090012_100000210776 [0,2,0,0,0,0|0,1,0]=3 13344 B18R2.4552 Nc1cccc2c1cc(cn2)SCCCCF 62a_100000729493_100010264086 [0,2,0,0,0,0|1,1,0]=4 13345 B18R2.4552 Nc1cccc2c1cc(cn2)SCCCCF 62a_100010264086_100000729493 [0,2,0,0,0,0|1,1,0]=4 13346 B18R2.4552 Nc1cccc2c1cc(cn2)SCCCCO 62a_100000210776_100010264086 [0,2,0,0,0,0|1,1,0]=4 13347 B18R2.4552 Nc1cccc2c1cc(cn2)SCCCCO 62a_100010264086_100000210776 [0,2,0,0,0,0|1,1,0]=4 13348 B18R2.4552 Nc1ccnc2c1cc(cc2)SCCCCF 62a_100000729493_100011620571 [0,2,0,0,0,0|1,1,0]=4 13349 B18R2.4552 Nc1ccnc2c1cc(cc2)SCCCCF 62a_100011620571_100000729493 [0,2,0,0,0,0|1,1,0]=4 13350 B18R2.4552 Nc1ccnc2c1cc(cc2)SCCCCO 62a_100000210776_100011620571 [0,2,0,0,0,0|1,1,0]=4 13351 B18R2.4552 Nc1ccnc2c1cc(cc2)SCCCCO 62a_100011620571_100000210776 [0,2,0,0,0,0|1,1,0]=4 13352 B18R2.4552 Nc1nccc2c1cc(cc2)SCCCCF 62a_100000729493_100012352255 [0,2,0,0,0,0|1,1,0]=4 13353 B18R2.4552 Nc1nccc2c1cc(cc2)SCCCCF 62a_100012352255_100000729493 [0,2,0,0,0,0|1,1,0]=4 13354 B18R2.4552 Nc1nccc2c1cc(cc2)SCCCCO 62a_100000210776_100012352255 [0,2,0,0,0,0|1,1,0]=4 13355 B18R2.4552 Nc1nccc2c1cc(cc2)SCCCCO 62a_100012352255_100000210776 [0,2,0,0,0,0|1,1,0]=4 13356 B18R2.4552 O=CCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_200011292268 [0,2,0,0,0,0|0,0,1]=3 13357 B18R2.4552 O=CCCCOc1ccc2cccc(c2c1)F 7a_100000091619_200011292268 [0,2,0,0,0,0|0,0,1]=3 13358 B18R2.4552 O=CCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_200011292268 [0,2,0,0,0,0|1,0,1]=4 13359 B18R2.4552 O=CCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_200011292268 [0,2,0,0,0,0|1,0,1]=4 13360 B18R2.4552 O=CCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_200011292268 [0,2,0,0,0,0|1,0,1]=4 13361 B18R2.4552 O=CCCCSc1ccc2cccc(c2c1)O 62a_200011292268_100010089991 [0,2,0,0,0,0|0,1,1]=4 13362 B18R2.4552 O=c1[nH]cnc2c1cc(cc2)OCCCCF 7a_100011934087_100000729493 [0,2,0,0,0,0|2,0,0]=4 13363 B18R2.4552 O=c1[nH]cnc2c1cc(cc2)OCCCCO 7a_100011934087_100000210776 [0,2,0,0,0,0|2,0,0]=4 13364 B18R2.4552 O=c1cc[nH]c2c1cc(cc2)SCCCCF 62a_100000729493_100000746092 [0,2,0,0,0,0|1,1,0]=4 13365 B18R2.4552 O=c1cc[nH]c2c1cc(cc2)SCCCCO 62a_100000210776_100000746092 [0,2,0,0,0,0|1,1,0]=4 13366 B18R2.4552 O=c1ccoc2c1cc(cc2)NCCCCF 34a_100000088200_100000729493 [0,2,0,0,0,0|2,0,0]=4 13367 B18R2.4552 O=c1ccoc2c1cc(cc2)NCCCCO 34a_100000088200_100011216708 [0,2,0,0,0,0|2,0,0]=4 13368 B18R2.4552 O=c1ccoc2c1cc(cc2)SCCCCF 62a_100000729493_100009813387 [0,2,0,0,0,0|1,1,0]=4 13369 B18R2.4552 O=c1ccoc2c1cc(cc2)SCCCCO 62a_100000210776_100009813387 [0,2,0,0,0,0|1,1,0]=4 13370 B18R2.4552 OCC#CCOc1ccc2cccc(c2c1)Br 34a_100010169565_200000047223 [0,2,0,0,0,0|0,0,2]=4 13371 B18R2.4552 OCC#CCOc1ccc2cccc(c2c1)Br 7a_100010169565_200000047223 [0,2,0,0,0,0|0,0,2]=4 13372 B18R2.4552 OCC#CCOc1ccc2cccc(c2c1)F 34a_100000091619_200000047223 [0,2,0,0,0,0|0,0,2]=4 13373 B18R2.4552 OCC#CCOc1ccc2cccc(c2c1)F 7a_100000091619_200000047223 [0,2,0,0,0,0|0,0,2]=4 13374 B18R2.4552 OCCCCNc1ccc2cccc(c2c1)O 34a_100132313934_100011216708 [0,2,0,0,0,0|1,0,0]=3 13375 B18R2.4552 OCCCCNc1ccc2cccc(c2n1)O 27a_100000750430_100010153751 [0,2,0,0,0,0|2,0,0]=4 13376 B18R2.4552 OCCCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100011216708 [0,2,0,0,0,0|2,0,0]=4 13377 B18R2.4552 OCCCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100011216708 [0,2,0,0,0,0|2,0,0]=4 13378 B18R2.4552 OCCCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100011216708 [0,2,0,0,0,0|0,0,0]=2 13379 B18R2.4552 OCCCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210776 [0,2,0,0,0,0|0,0,0]=2 13380 B18R2.4552 OCCCCOc1ccc2cccc(c2c1)F 34a_100000091619_100011216708 [0,2,0,0,0,0|0,0,0]=2 13381 B18R2.4552 OCCCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210776 [0,2,0,0,0,0|0,0,0]=2 13382 B18R2.4552 OCCCCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100011216708 [0,2,0,0,0,0|1,0,0]=3 13383 B18R2.4552 OCCCCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210776 [0,2,0,0,0,0|1,0,0]=3 13384 B18R2.4552 OCCCCOc1ccc2nccc(c2c1)Br 34a_100010204251_100011216708 [0,2,0,0,0,0|1,0,0]=3 13385 B18R2.4552 OCCCCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210776 [0,2,0,0,0,0|1,0,0]=3 13386 B18R2.4552 OCCCCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100011216708 [0,2,0,0,0,0|1,0,0]=3 13387 B18R2.4552 OCCCCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210776 [0,2,0,0,0,0|1,0,0]=3 13388 B18R2.4552 OCCCCSc1ccc2cccc(c2c1)O 62a_100000210776_100010089991 [0,2,0,0,0,0|0,1,0]=3 13389 B18R2.4552 OCCCCSc1ccc2cccc(c2n1)F 62a_100000210776_100012017632 [0,2,0,0,0,0|1,1,0]=4 13390 B18R2.4552 OCCCCSc1ccc2cccc(c2n1)O 62a_100000210776_100000013812 [0,2,0,0,0,0|1,1,0]=4 13391 B18R2.4552 OCCCCSc1ccc2ccnc(c2c1)O 62a_100000210776_100000010956 [0,2,0,0,0,0|1,1,0]=4 13392 B18R2.4552 OCCCCSc1ccc2cncc(c2c1)O 62a_100000210776_100010136424 [0,2,0,0,0,0|1,1,0]=4 13393 B18R2.4552 OCCCCSc1ccc2nccc(c2c1)Cl 62a_100000210776_100011310491 [0,2,0,0,0,0|1,1,0]=4 13394 B18R2.4552 OCCCCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210776 [0,2,0,0,0,0|1,1,0]=4 13395 B18R2.4552 OCCCCSc1cnc2cccc(c2c1)O 62a_100000210776_200010153752 [0,2,0,0,0,0|1,1,0]=4 13396 B18R2.4552 Oc1cccc2c1cc(cc2)NCCCCF 34a_100132313934_100000729493 [0,2,0,0,0,0|1,0,0]=3 13397 B18R2.4552 Oc1cccc2c1cc(cc2)SCCCCF 62a_100000729493_100010089991 [0,2,0,0,0,0|0,1,0]=3 13398 B18R2.4552 Oc1cccc2c1cc(cn2)SCCCCF 62a_100000729493_200010153752 [0,2,0,0,0,0|1,1,0]=4 13399 B18R2.4552 Oc1cccc2c1nc(cc2)SCCCCF 62a_100000729493_100000013812 [0,2,0,0,0,0|1,1,0]=4 13400 B18R2.4552 Oc1cncc2c1cc(cc2)SCCCCF 62a_100000729493_100010136424 [0,2,0,0,0,0|1,1,0]=4 13401 B18R2.4552 Oc1nccc2c1cc(cc2)SCCCCF 62a_100000729493_100000010956 [0,2,0,0,0,0|1,1,0]=4 13402 B18R2.122365 C#CCCOc1ccc2cccc(c2c1)C#N 34a_100009864607_100000688953 [0,2,0,0,0,0|0,0,2]=4 13403 B18R2.122365 C#CCCOc1ccc2cccc(c2c1)C#N 7a_100009864607_100000688953 [0,2,0,0,0,0|0,0,2]=4 13404 B18R2.122365 C/C=C/COc1ccc2cccc(c2c1)C#N 34a_100009864607_100102629194 [0,2,0,0,0,0|0,0,2]=4 13405 B18R2.122365 C/C=C/COc1ccc2cccc(c2c1)C#N 7a_100009864607_100102629194 [0,2,0,0,0,0|0,0,2]=4 13406 B18R2.122365 C=CCCOc1ccc2cccc(c2c1)C#N 34a_100009864607_100000754431 [0,2,0,0,0,0|0,0,2]=4 13407 B18R2.122365 C=CCCOc1ccc2cccc(c2c1)C#N 7a_100009864607_100000754431 [0,2,0,0,0,0|0,0,2]=4 13408 B18R2.122365 CC#CCOc1ccc2cccc(c2c1)C#N 34a_100009864607_100000748600 [0,2,0,0,0,0|0,0,2]=4 13409 B18R2.122365 CC#CCOc1ccc2cccc(c2c1)C#N 7a_100009864607_100000748600 [0,2,0,0,0,0|0,0,2]=4 13410 B18R2.122365 CC=CCOc1ccc2cccc(c2c1)C#N 34a_100009864607_100000070051 [0,2,0,0,0,0|0,0,2]=4 13411 B18R2.122365 CC=CCOc1ccc2cccc(c2c1)C#N 7a_100009864607_100000070051 [0,2,0,0,0,0|0,0,2]=4 13412 B18R2.122365 CCCCNc1ccc2cccc(c2n1)OC 27a_100000102301_200011787714 [0,2,0,0,0,0|2,0,0]=4 13413 B18R2.122365 CCCCNc1ccc2cccc(c2n1)OC 34a_200000022375_200000210301 [0,2,0,0,0,0|2,0,0]=4 13414 B18R2.122365 CCCCNc1ccc2cccc(c2n1)OC 7a_200000022375_200000210301 [0,2,0,0,0,0|2,0,0]=4 13415 B18R2.122365 CCCCNc1ccc2cccc(c2n1)O[13CH3] 34a_200000022375_200025704644 [0,2,0,0,0,0|2,0,0]=4 13416 B18R2.122365 CCCCNc1ccc2cccc(c2n1)O[13CH3] 7a_200000022375_200025704644 [0,2,0,0,0,0|2,0,0]=4 13417 B18R2.122365 CCCCOc1ccc2cccc(c2c1)C#N 34a_100009864607_100000210210 [0,2,0,0,0,0|0,0,0]=2 13418 B18R2.122365 CCCCOc1ccc2cccc(c2c1)C#N 7a_100009864607_100000210211 [0,2,0,0,0,0|0,0,0]=2 13419 B18R2.122365 CCCCSc1ccc2cccc(c2n1)OC 62a_100000210211_200011787714 [0,2,0,0,0,0|1,1,0]=4 13420 B18R2.122365 CCCCSc1ccc2ccnc(c2c1)OC 62a_100000210211_200011098638 [0,2,0,0,0,0|1,1,0]=4 13421 B18R2.122365 CCCCSc1ccc2nccc(c2c1)C=O 62a_100000210211_100010176920 [0,2,0,0,0,0|1,1,0]=4 13422 B18R2.122365 CCCCSc1ccc2nccc(c2c1)C=O 62a_100010176920_100000210210 [0,2,0,0,0,0|1,1,0]=4 13423 B18R2.122365 CCCCSc1ccc2nccc(c2c1)NC 62a_100000210211_200011620572 [0,2,0,0,0,0|1,1,0]=4 13424 B18R2.122365 CCCCSc1ccc2nccc(c2c1)OC 62a_100000210211_100009816692 [0,2,0,0,0,0|1,1,0]=4 13425 B18R2.122365 COCCOc1ccc2cccc(c2c1)C#N 34a_100009864607_100011201679 [0,2,0,0,0,0|1,0,0]=3 13426 B18R2.122365 COCCOc1ccc2cccc(c2c1)C#N 7a_100009864607_100000233755 [0,2,0,0,0,0|1,0,0]=3 13427 B18R2.122365 CSCCOc1ccc2cccc(c2c1)C#N 34a_100009864607_100000212216 [0,2,0,0,0,0|1,0,0]=3 13428 B18R2.122365 CSCCOc1ccc2cccc(c2c1)C#N 7a_100009864607_100000212216 [0,2,0,0,0,0|1,0,0]=3 13429 B18R2.122365 N#CCCOc1ccc2cccc(c2c1)C#N 7a_100009864607_100000184422 [0,2,0,0,0,0|1,0,1]=4 13430 B18R2.122365 N#Cc1cccc2c1cc(cc2)OCCCF 34a_100009864607_100011934791 [0,2,0,0,0,0|1,0,0]=3 13431 B18R2.122365 N#Cc1cccc2c1cc(cc2)OCCCF 7a_100009864607_100011934791 [0,2,0,0,0,0|1,0,0]=3 13432 B18R2.122365 N#Cc1cccc2c1cc(cc2)OCCCO 34a_100009864607_100000230001 [0,2,0,0,0,0|1,0,0]=3 13433 B18R2.122365 N#Cc1cccc2c1cc(cc2)OCCCO 7a_100009864607_100011215043 [0,2,0,0,0,0|1,0,0]=3 13434 B18R2.146245 CCCCSc1cc(c2[nH]ccc(=O)c2c1)F 62a_100000210211_100000749450 [0,2,0,0,0,0|1,1,0]=4 13435 B18R2.146245 CCCCSc1cc(c2cccc(c2n1)C)C 62a_100000008058_100000210210 [0,2,0,0,0,0|1,1,0]=4 13436 B18R2.146245 CCCCSc1cc(c2cccc(c2n1)C)C 62a_100000210211_100000008058 [0,2,0,0,0,0|1,1,0]=4 13437 B18R2.178788 C#CCCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000688953 [0,2,0,0,0,0|0,0,2]=4 13438 B18R2.178788 C#CCCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000688953 [0,2,0,0,0,0|0,0,2]=4 13439 B18R2.178788 C/C=C/COc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100102629194 [0,2,0,0,0,0|0,0,2]=4 13440 B18R2.178788 C/C=C/COc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100102629194 [0,2,0,0,0,0|0,0,2]=4 13441 B18R2.178788 C=CCCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000754431 [0,2,0,0,0,0|0,0,2]=4 13442 B18R2.178788 C=CCCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000754431 [0,2,0,0,0,0|0,0,2]=4 13443 B18R2.178788 CC#CCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000748600 [0,2,0,0,0,0|0,0,2]=4 13444 B18R2.178788 CC#CCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000748600 [0,2,0,0,0,0|0,0,2]=4 13445 B18R2.178788 CC=CCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000070051 [0,2,0,0,0,0|0,0,2]=4 13446 B18R2.178788 CC=CCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000070051 [0,2,0,0,0,0|0,0,2]=4 13447 B18R2.178788 CCCCNc1ccc2cc(cc(c2n1)C)C 27a_100000102301_200012017542 [0,2,0,0,0,0|2,0,0]=4 13448 B18R2.178788 CCCCOc1ccc2[nH]c(=O)oc(=O)c2c1 7a_100000066353_100000210211 [0,2,0,0,0,0|2,0,0]=4 13449 B18R2.178788 CCCCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000210210 [0,2,0,0,0,0|0,0,0]=2 13450 B18R2.178788 CCCCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000210211 [0,2,0,0,0,0|0,0,0]=2 13451 B18R2.178788 CCCCOc1ccc2oc(=O)cc(c2c1)C 34a_100000034621_100000210210 [0,2,0,0,0,0|1,0,0]=3 13452 B18R2.178788 CCCCOc1ccc2oc(=O)cc(c2c1)C 7a_100000034621_100000210211 [0,2,0,0,0,0|1,0,0]=3 13453 B18R2.178788 CCCCSc1ccc2[nH]c(=O)cc(c2c1)C 62a_100000210211_100009820897 [0,2,0,0,0,0|1,1,0]=4 13454 B18R2.178788 CCCCSc1ccc2[nH]c(=O)cc(c2c1)O 62a_100000210211_100000695641 [0,2,0,0,0,0|1,1,0]=4 13455 B18R2.178788 CCCCSc1ccc2[nH]c(cc(=O)c2c1)C 62a_100000210211_100011333642 [0,2,0,0,0,0|1,1,0]=4 13456 B18R2.178788 CCCCSc1ccc2cc(cc(c2n1)C)C 62a_100000210211_200012017542 [0,2,0,0,0,0|1,1,0]=4 13457 B18R2.178788 CCCCSc1ccc2nc(cc(c2c1)N)C 62a_100000238323_100000210210 [0,2,0,0,0,0|1,1,0]=4 13458 B18R2.178788 COCCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100011201679 [0,2,0,0,0,0|1,0,0]=3 13459 B18R2.178788 COCCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000233755 [0,2,0,0,0,0|1,0,0]=3 13460 B18R2.178788 COCCOc1ccc2oc(=O)cc(c2c1)C 34a_100000034621_100011201679 [0,2,0,0,0,0|2,0,0]=4 13461 B18R2.178788 COCCOc1ccc2oc(=O)cc(c2c1)C 7a_100000034621_100000233755 [0,2,0,0,0,0|2,0,0]=4 13462 B18R2.178788 CSCCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000212216 [0,2,0,0,0,0|1,0,0]=3 13463 B18R2.178788 CSCCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000212216 [0,2,0,0,0,0|1,0,0]=3 13464 B18R2.178788 CSCCOc1ccc2oc(=O)cc(c2c1)C 34a_100000034621_100000212216 [0,2,0,0,0,0|2,0,0]=4 13465 B18R2.178788 CSCCOc1ccc2oc(=O)cc(c2c1)C 7a_100000034621_100000212216 [0,2,0,0,0,0|2,0,0]=4 13466 B18R2.178788 Cc1cc(=O)oc2c1cc(cc2)OCCCF 34a_100000034621_100011934791 [0,2,0,0,0,0|2,0,0]=4 13467 B18R2.178788 Cc1cc(=O)oc2c1cc(cc2)OCCCF 7a_100000034621_100011934791 [0,2,0,0,0,0|2,0,0]=4 13468 B18R2.178788 Cc1cc(=O)oc2c1cc(cc2)OCCCO 34a_100000034621_100000230001 [0,2,0,0,0,0|2,0,0]=4 13469 B18R2.178788 Cc1cc(=O)oc2c1cc(cc2)OCCCO 7a_100000034621_100011215043 [0,2,0,0,0,0|2,0,0]=4 13470 B18R2.178788 FCCCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100011934791 [0,2,0,0,0,0|1,0,0]=3 13471 B18R2.178788 FCCCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100011934791 [0,2,0,0,0,0|1,0,0]=3 13472 B18R2.178788 N#CCCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100000184422 [0,2,0,0,0,0|1,0,1]=4 13473 B18R2.178788 OCCCOc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_100000230001 [0,2,0,0,0,0|1,0,0]=3 13474 B18R2.178788 OCCCOc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_100011215043 [0,2,0,0,0,0|1,0,0]=3 13475 B18R2.483955 C=C(C)CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000730704 [0,2,0,0,0,0|1,0,1]=4 13476 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000730704 [0,2,0,0,0,0|0,0,1]=3 13477 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000730704 [0,2,0,0,0,0|0,0,1]=3 13478 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000730704 [0,2,0,0,0,0|0,0,1]=3 13479 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000730704 [0,2,0,0,0,0|0,0,1]=3 13480 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000730704 [0,2,0,0,0,0|0,0,1]=3 13481 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000730704 [0,2,0,0,0,0|0,0,1]=3 13482 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000730704 [0,2,0,0,0,0|0,0,1]=3 13483 B18R2.483955 C=C(C)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000730704 [0,2,0,0,0,0|0,0,1]=3 13484 B18R2.483955 C=C(C)CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000730704 [0,2,0,0,0,0|1,0,1]=4 13485 B18R2.483955 C=C(C)CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000730704 [0,2,0,0,0,0|1,0,1]=4 13486 B18R2.483955 C=C(C)CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000730704 [0,2,0,0,0,0|1,0,1]=4 13487 B18R2.483955 C=C(C)CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000730704 [0,2,0,0,0,0|1,0,1]=4 13488 B18R2.483955 C=C(C)CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000730704 [0,2,0,0,0,0|1,0,1]=4 13489 B18R2.483955 C=C(C)CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000730704 [0,2,0,0,0,0|1,0,1]=4 13490 B18R2.483955 C=C(C)CCSc1ccc2cccc(c2c1)N 62a_100000730704_100010090012 [0,2,0,0,0,0|0,1,1]=4 13491 B18R2.483955 C=C(C)CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000730704 [0,2,0,0,0,0|0,1,1]=4 13492 B18R2.483955 C=C(C)CCSc1ccc2cccc(c2c1)O 62a_100000730704_100010089991 [0,2,0,0,0,0|0,1,1]=4 13493 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)Br)C 34a_100010169565_100000761012 [0,2,0,0,0,0|0,0,2]=4 13494 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)Br)C 7a_100010169565_100000761012 [0,2,0,0,0,0|0,0,2]=4 13495 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)C)C 34a_200000091600_100000761012 [0,2,0,0,0,0|0,0,2]=4 13496 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)C)C 7a_200000091600_100000761012 [0,2,0,0,0,0|0,0,2]=4 13497 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)F)C 34a_100000091619_100000761012 [0,2,0,0,0,0|0,0,2]=4 13498 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)F)C 7a_100000091619_100000761012 [0,2,0,0,0,0|0,0,2]=4 13499 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)N)C 34a_100000034012_100000761012 [0,2,0,0,0,0|0,0,2]=4 13500 B18R2.483955 CC(=CCOc1ccc2cccc(c2c1)N)C 7a_100000034012_100000761012 [0,2,0,0,0,0|0,0,2]=4 13501 B18R2.483955 CC(=O)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000053229 [0,2,0,0,0,0|0,0,1]=3 13502 B18R2.483955 CC(=O)CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000053229 [0,2,0,0,0,0|0,0,1]=3 13503 B18R2.483955 CC(=O)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000053229 [0,2,0,0,0,0|0,0,1]=3 13504 B18R2.483955 CC(=O)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000053229 [0,2,0,0,0,0|0,0,1]=3 13505 B18R2.483955 CC(=O)CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000053229 [0,2,0,0,0,0|1,0,1]=4 13506 B18R2.483955 CC(=O)CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000053229 [0,2,0,0,0,0|1,0,1]=4 13507 B18R2.483955 CC(=O)CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000053229 [0,2,0,0,0,0|1,0,1]=4 13508 B18R2.483955 CC(=O)CCSc1ccc2cccc(c2c1)C 62a_100000053229_100010089936 [0,2,0,0,0,0|0,1,1]=4 13509 B18R2.483955 CC(=O)CCSc1ccc2cccc(c2c1)N 62a_100000053229_100010090012 [0,2,0,0,0,0|0,1,1]=4 13510 B18R2.483955 CC(=O)CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000053229 [0,2,0,0,0,0|0,1,1]=4 13511 B18R2.483955 CC(=O)CCSc1ccc2cccc(c2c1)O 62a_100000053229_100010089991 [0,2,0,0,0,0|0,1,1]=4 13512 B18R2.483955 CC(=O)OCOc1ccc2cccc(c2c1)Br 34a_100010169565_100009813279 [0,2,0,0,0,0|1,0,1]=4 13513 B18R2.483955 CC(=O)OCOc1ccc2cccc(c2c1)C 34a_200000091600_100009813279 [0,2,0,0,0,0|1,0,1]=4 13514 B18R2.483955 CC(=O)OCOc1ccc2cccc(c2c1)F 34a_100000091619_100009813279 [0,2,0,0,0,0|1,0,1]=4 13515 B18R2.483955 CC(=O)OCOc1ccc2cccc(c2c1)N 34a_100000034012_100009813279 [0,2,0,0,0,0|1,0,1]=4 13516 B18R2.483955 CC(C)CC=Cc1ccc2cccc(c2c1)N 271570a_100016259101_100010090012 [0,2,0,0,0,0|1,0,1]=4 13517 B18R2.483955 CC(C)CC=Cc1ccc2cccc(c2c1)O 271570a_100016259101_100010089991 [0,2,0,0,0,0|1,0,1]=4 13518 B18R2.483955 CC(C)CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210312 [0,2,0,0,0,0|1,0,0]=3 13519 B18R2.483955 CC(C)CCNc1ccc2cccc(c2n1)O 27a_100000210545_100010153751 [0,2,0,0,0,0|2,0,0]=4 13520 B18R2.483955 CC(C)CCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210312 [0,2,0,0,0,0|2,0,0]=4 13521 B18R2.483955 CC(C)CCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210312 [0,2,0,0,0,0|2,0,0]=4 13522 B18R2.483955 CC(C)CCNc1ccc2occc(=O)c2c1 34a_100000088200_100000210312 [0,2,0,0,0,0|2,0,0]=4 13523 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210312 [0,2,0,0,0,0|0,0,0]=2 13524 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210626 [0,2,0,0,0,0|0,0,0]=2 13525 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210312 [0,2,0,0,0,0|0,0,0]=2 13526 B18R2.483955 CC(C)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210626 [0,2,0,0,0,0|0,0,0]=2 13527 B18R2.483955 CC(C)CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210312 [0,2,0,0,0,0|1,0,0]=3 13528 B18R2.483955 CC(C)CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210626 [0,2,0,0,0,0|1,0,0]=3 13529 B18R2.483955 CC(C)CCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210626 [0,2,0,0,0,0|2,0,0]=4 13530 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210312 [0,2,0,0,0,0|1,0,0]=3 13531 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210626 [0,2,0,0,0,0|1,0,0]=3 13532 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210312 [0,2,0,0,0,0|1,0,0]=3 13533 B18R2.483955 CC(C)CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210626 [0,2,0,0,0,0|1,0,0]=3 13534 B18R2.483955 CC(C)CCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210312_100000746092 [0,2,0,0,0,0|1,1,0]=4 13535 B18R2.483955 CC(C)CCSc1ccc2cccc(c2c1)N 62a_100000210312_100010090012 [0,2,0,0,0,0|0,1,0]=3 13536 B18R2.483955 CC(C)CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210312 [0,2,0,0,0,0|0,1,0]=3 13537 B18R2.483955 CC(C)CCSc1ccc2cccc(c2c1)O 62a_100000210312_100010089991 [0,2,0,0,0,0|0,1,0]=3 13538 B18R2.483955 CC(C)CCSc1ccc2cccc(c2n1)F 62a_100000210312_100012017632 [0,2,0,0,0,0|1,1,0]=4 13539 B18R2.483955 CC(C)CCSc1ccc2cccc(c2n1)O 62a_100000210312_100000013812 [0,2,0,0,0,0|1,1,0]=4 13540 B18R2.483955 CC(C)CCSc1ccc2ccnc(c2c1)N 62a_100000210312_100012352255 [0,2,0,0,0,0|1,1,0]=4 13541 B18R2.483955 CC(C)CCSc1ccc2ccnc(c2c1)N 62a_100012352255_100000210312 [0,2,0,0,0,0|1,1,0]=4 13542 B18R2.483955 CC(C)CCSc1ccc2ccnc(c2c1)O 62a_100000210312_100000010956 [0,2,0,0,0,0|1,1,0]=4 13543 B18R2.483955 CC(C)CCSc1ccc2cncc(c2c1)O 62a_100000210312_100010136424 [0,2,0,0,0,0|1,1,0]=4 13544 B18R2.483955 CC(C)CCSc1ccc2nccc(c2c1)N 62a_100000210312_100011620571 [0,2,0,0,0,0|1,1,0]=4 13545 B18R2.483955 CC(C)CCSc1ccc2nccc(c2c1)N 62a_100011620571_100000210312 [0,2,0,0,0,0|1,1,0]=4 13546 B18R2.483955 CC(C)CCSc1ccc2occc(=O)c2c1 62a_100000210312_100009813387 [0,2,0,0,0,0|1,1,0]=4 13547 B18R2.483955 CC(C)CCSc1cnc2cccc(c2c1)N 62a_100000210312_100010264086 [0,2,0,0,0,0|1,1,0]=4 13548 B18R2.483955 CC(C)CCSc1cnc2cccc(c2c1)N 62a_100010264086_100000210312 [0,2,0,0,0,0|1,1,0]=4 13549 B18R2.483955 CC(C)CCSc1cnc2cccc(c2c1)O 62a_100000210312_200010153752 [0,2,0,0,0,0|1,1,0]=4 13550 B18R2.483955 CC(C)CNCc1ccc2cccc(c2c1)Br 26a_100000210953_100010169565 [0,2,0,0,0,0|2,0,0]=4 13551 B18R2.483955 CC(C)OCNc1ccc2cccc(c2c1)O 34a_100132313934_100000709892 [0,2,0,0,0,0|2,0,0]=4 13552 B18R2.483955 CC(C)OCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000709892 [0,2,0,0,0,0|1,0,0]=3 13553 B18R2.483955 CC(C)OCOc1ccc2cccc(c2c1)F 34a_100000091619_100000709892 [0,2,0,0,0,0|1,0,0]=3 13554 B18R2.483955 CC(C)OCOc1ccc2cccc(c2c1)N 34a_100000034012_100000709892 [0,2,0,0,0,0|1,0,0]=3 13555 B18R2.483955 CC(C)OCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000709892 [0,2,0,0,0,0|2,0,0]=4 13556 B18R2.483955 CC(C)OCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000709892 [0,2,0,0,0,0|2,0,0]=4 13557 B18R2.483955 CC(C)OCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000709892 [0,2,0,0,0,0|2,0,0]=4 13558 B18R2.483955 CC(C)OCSc1ccc2cccc(c2c1)N 62a_100000709892_100010090012 [0,2,0,0,0,0|1,1,0]=4 13559 B18R2.483955 CC(C)OCSc1ccc2cccc(c2c1)N 62a_100010090012_100000709892 [0,2,0,0,0,0|1,1,0]=4 13560 B18R2.483955 CC(C)OCSc1ccc2cccc(c2c1)O 62a_100000709892_100010089991 [0,2,0,0,0,0|1,1,0]=4 13561 B18R2.483955 CC(O)CCNc1ccc2cccc(c2c1)O 34a_100132313934_100012276601 [0,2,0,0,0,0|1,0,0]=3 13562 B18R2.483955 CC(O)CCNc1ccc2cccc(c2n1)O 27a_200000755665_100010153751 [0,2,0,0,0,0|2,0,0]=4 13563 B18R2.483955 CC(O)CCNc1ccc2nccc(c2c1)Br 34a_100010074812_100012276601 [0,2,0,0,0,0|2,0,0]=4 13564 B18R2.483955 CC(O)CCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100012276601 [0,2,0,0,0,0|2,0,0]=4 13565 B18R2.483955 CC(O)CCNc1ccc2occc(=O)c2c1 34a_100000088200_100012276601 [0,2,0,0,0,0|2,0,0]=4 13566 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100012276601 [0,2,0,0,0,0|0,0,0]=2 13567 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100012276601 [0,2,0,0,0,0|0,0,0]=2 13568 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)F 34a_100000091619_100012276601 [0,2,0,0,0,0|0,0,0]=2 13569 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100012276601 [0,2,0,0,0,0|0,0,0]=2 13570 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)N 34a_100000034012_100012276601 [0,2,0,0,0,0|0,0,0]=2 13571 B18R2.483955 CC(O)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100012276601 [0,2,0,0,0,0|0,0,0]=2 13572 B18R2.483955 CC(O)CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100012276601 [0,2,0,0,0,0|1,0,0]=3 13573 B18R2.483955 CC(O)CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100012276601 [0,2,0,0,0,0|1,0,0]=3 13574 B18R2.483955 CC(O)CCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100012276601 [0,2,0,0,0,0|2,0,0]=4 13575 B18R2.483955 CC(O)CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100012276601 [0,2,0,0,0,0|1,0,0]=3 13576 B18R2.483955 CC(O)CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100012276601 [0,2,0,0,0,0|1,0,0]=3 13577 B18R2.483955 CC(O)CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100012276601 [0,2,0,0,0,0|1,0,0]=3 13578 B18R2.483955 CC(O)CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100012276601 [0,2,0,0,0,0|1,0,0]=3 13579 B18R2.483955 CC(O)CCSc1ccc2[nH]ccc(=O)c2c1 62a_100012276601_100000746092 [0,2,0,0,0,0|1,1,0]=4 13580 B18R2.483955 CC(O)CCSc1ccc2cccc(c2c1)N 62a_100010090012_100012276601 [0,2,0,0,0,0|0,1,0]=3 13581 B18R2.483955 CC(O)CCSc1ccc2cccc(c2c1)N 62a_100012276601_100010090012 [0,2,0,0,0,0|0,1,0]=3 13582 B18R2.483955 CC(O)CCSc1ccc2cccc(c2c1)O 62a_100012276601_100010089991 [0,2,0,0,0,0|0,1,0]=3 13583 B18R2.483955 CC(O)CCSc1ccc2cccc(c2n1)F 62a_100012276601_100012017632 [0,2,0,0,0,0|1,1,0]=4 13584 B18R2.483955 CC(O)CCSc1ccc2cccc(c2n1)O 62a_100012276601_100000013812 [0,2,0,0,0,0|1,1,0]=4 13585 B18R2.483955 CC(O)CCSc1ccc2ccnc(c2c1)N 62a_100012276601_100012352255 [0,2,0,0,0,0|1,1,0]=4 13586 B18R2.483955 CC(O)CCSc1ccc2ccnc(c2c1)N 62a_100012352255_100012276601 [0,2,0,0,0,0|1,1,0]=4 13587 B18R2.483955 CC(O)CCSc1ccc2ccnc(c2c1)O 62a_100012276601_100000010956 [0,2,0,0,0,0|1,1,0]=4 13588 B18R2.483955 CC(O)CCSc1ccc2cncc(c2c1)O 62a_100012276601_100010136424 [0,2,0,0,0,0|1,1,0]=4 13589 B18R2.483955 CC(O)CCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100012276601 [0,2,0,0,0,0|1,1,0]=4 13590 B18R2.483955 CC(O)CCSc1ccc2nccc(c2c1)Cl 62a_100012276601_100011310491 [0,2,0,0,0,0|1,1,0]=4 13591 B18R2.483955 CC(O)CCSc1ccc2nccc(c2c1)N 62a_100011620571_100012276601 [0,2,0,0,0,0|1,1,0]=4 13592 B18R2.483955 CC(O)CCSc1ccc2nccc(c2c1)N 62a_100012276601_100011620571 [0,2,0,0,0,0|1,1,0]=4 13593 B18R2.483955 CC(O)CCSc1ccc2occc(=O)c2c1 62a_100012276601_100009813387 [0,2,0,0,0,0|1,1,0]=4 13594 B18R2.483955 CC(O)CCSc1cnc2cccc(c2c1)N 62a_100010264086_100012276601 [0,2,0,0,0,0|1,1,0]=4 13595 B18R2.483955 CC(O)CCSc1cnc2cccc(c2c1)N 62a_100012276601_100010264086 [0,2,0,0,0,0|1,1,0]=4 13596 B18R2.483955 CC(O)CCSc1cnc2cccc(c2c1)O 62a_100012276601_200010153752 [0,2,0,0,0,0|1,1,0]=4 13597 B18R2.483955 CN(C)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000755713 [0,2,0,0,0,0|1,0,0]=3 13598 B18R2.483955 CN(C)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000755713 [0,2,0,0,0,0|1,0,0]=3 13599 B18R2.483955 CN(C)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000755713 [0,2,0,0,0,0|1,0,0]=3 13600 B18R2.483955 CN(C)CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000755713 [0,2,0,0,0,0|2,0,0]=4 13601 B18R2.483955 CN(C)CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000755713 [0,2,0,0,0,0|2,0,0]=4 13602 B18R2.483955 CN(C)CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000755713 [0,2,0,0,0,0|2,0,0]=4 13603 B18R2.483955 CN(C)CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000755713 [0,2,0,0,0,0|1,1,0]=4 13604 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(=O)N 34a_200000091600_100000731001 [0,2,0,0,0,0|1,0,1]=4 13605 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(=O)N 7a_200000091600_100000744528 [0,2,0,0,0,0|1,0,1]=4 13606 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)C 34a_200000091600_100000210312 [0,2,0,0,0,0|0,0,0]=2 13607 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)C 7a_200000091600_100000210626 [0,2,0,0,0,0|0,0,0]=2 13608 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)O 34a_200000091600_100012276601 [0,2,0,0,0,0|0,0,0]=2 13609 B18R2.483955 Cc1cccc2c1cc(cc2)OCCC(C)O 7a_200000091600_100012276601 [0,2,0,0,0,0|0,0,0]=2 13610 B18R2.483955 Cc1cccc2c1cc(cc2)OCCN(C)C 7a_200000091600_100000755713 [0,2,0,0,0,0|1,0,0]=3 13611 B18R2.483955 Cc1cccc2c1cc(cc2)OCOC(C)C 34a_200000091600_100000709892 [0,2,0,0,0,0|1,0,0]=3 13612 B18R2.483955 Cc1cccc2c1cc(cc2)SCCC(C)O 62a_100012276601_100010089936 [0,2,0,0,0,0|0,1,0]=3 13613 B18R2.483955 Cc1cccc2c1cc(cc2)SCOC(C)C 62a_100000709892_100010089936 [0,2,0,0,0,0|1,1,0]=4 13614 B18R2.483955 Cc1cccc2c1nc(cc2)NCCC(C)C 27a_100000210545_100012002297 [0,2,0,0,0,0|2,0,0]=4 13615 B18R2.483955 Cc1cccc2c1nc(cc2)NCCC(C)O 27a_200000755665_100012002297 [0,2,0,0,0,0|2,0,0]=4 13616 B18R2.483955 Cc1cccc2c1nc(cc2)SCCC(C)C 62a_100000210312_100012002297 [0,2,0,0,0,0|1,1,0]=4 13617 B18R2.483955 Cc1cccc2c1nc(cc2)SCCC(C)O 62a_100012276601_100012002297 [0,2,0,0,0,0|1,1,0]=4 13618 B18R2.483955 Cc1ccnc2c1cc(cc2)SCCC(C)C 62a_100000210312_100009817033 [0,2,0,0,0,0|1,1,0]=4 13619 B18R2.483955 Cc1ccnc2c1cc(cc2)SCCC(C)C 62a_100009817033_100000210312 [0,2,0,0,0,0|1,1,0]=4 13620 B18R2.483955 Cc1ccnc2c1cc(cc2)SCCC(C)O 62a_100009817033_100012276601 [0,2,0,0,0,0|1,1,0]=4 13621 B18R2.483955 Cc1ccnc2c1cc(cc2)SCCC(C)O 62a_100012276601_100009817033 [0,2,0,0,0,0|1,1,0]=4 13622 B18R2.483955 Cc1nccc2c1cc(cc2)SCCC(C)C 62a_100000210312_200010739692 [0,2,0,0,0,0|1,1,0]=4 13623 B18R2.483955 Cc1nccc2c1cc(cc2)SCCC(C)C 62a_200010739692_100000210312 [0,2,0,0,0,0|1,1,0]=4 13624 B18R2.483955 Cc1nccc2c1cc(cc2)SCCC(C)O 62a_100012276601_200010739692 [0,2,0,0,0,0|1,1,0]=4 13625 B18R2.483955 Cc1nccc2c1cc(cc2)SCCC(C)O 62a_200010739692_100012276601 [0,2,0,0,0,0|1,1,0]=4 13626 B18R2.483955 NC(=O)CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000731001 [0,2,0,0,0,0|1,0,1]=4 13627 B18R2.483955 NC(=O)CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000744528 [0,2,0,0,0,0|1,0,1]=4 13628 B18R2.483955 NC(=O)CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000731001 [0,2,0,0,0,0|1,0,1]=4 13629 B18R2.483955 NC(=O)CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000744528 [0,2,0,0,0,0|1,0,1]=4 13630 B18R2.483955 NC(=O)CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000731001 [0,2,0,0,0,0|1,0,1]=4 13631 B18R2.483955 NC(=O)CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000744528 [0,2,0,0,0,0|1,0,1]=4 13632 B18R2.1954 CCCCC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_100000210211 [0,2,0,0,0,0|1,0,0]=3 13633 B18R2.1954 CCCCC(=O)c1ccc2ccccc2c1O 1458a_100000181341_100000210211 [0,2,0,0,0,0|1,0,0]=3 13634 B18R2.1954 CCCCC(=O)c1ccc2cccnc2c1O 1458a_100000036822_100000210211 [0,2,0,0,0,0|2,0,0]=4 13635 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1Br 11a_100020643023_100000239384 [0,2,0,0,0,0|2,0,0]=4 13636 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1Br 1626a_100020643023_100000239384 [0,2,0,0,0,0|2,0,0]=4 13637 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1Br 240690a_100020643023_100000239384 [0,2,0,0,0,0|2,0,0]=4 13638 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1Br 527a_100020643023_100000239384 [0,2,0,0,0,0|2,0,0]=4 13639 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1O 240690a_100020643023_100000181341 [0,2,0,0,0,0|2,0,0]=4 13640 B18R2.1954 CCCNC(=O)c1ccc2ccccc2c1O 527a_100020643023_100000181341 [0,2,0,0,0,0|2,0,0]=4 13641 B18R2.1954 CCCNC(C)c1ccc2ccccc2c1O 269862a_100020643023_100000212095 [0,2,0,0,0,0|2,0,0]=4 13642 B18R2.1954 COCCC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_100000233755 [0,2,0,0,0,0|2,0,0]=4 13643 B18R2.1954 COCCC(=O)c1ccc2ccccc2c1O 1458a_100000181341_100000233755 [0,2,0,0,0,0|2,0,0]=4 13644 B18R2.1954 CSCCC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_100000751147 [0,2,0,0,0,0|2,0,0]=4 13645 B18R2.1954 CSCCC(=O)c1ccc2ccccc2c1O 1458a_100000181341_100000751147 [0,2,0,0,0,0|2,0,0]=4 13646 B18R2.1954 O=C(CCCF)c1ccc2ccccc2c1Br 1458a_100000239384_100011934791 [0,2,0,0,0,0|2,0,0]=4 13647 B18R2.1954 O=C(CCCF)c1ccc2ccccc2c1O 1458a_100000181341_100011934791 [0,2,0,0,0,0|2,0,0]=4 13648 B18R2.1954 O=C(CCCO)c1ccc2ccccc2c1Br 1458a_100000239384_100011215043 [0,2,0,0,0,0|2,0,0]=4 13649 B18R2.1954 O=C(CCCO)c1ccc2ccccc2c1O 1458a_100000181341_100011215043 [0,2,0,0,0,0|2,0,0]=4 13650 B18R2.2397 C#CCCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000731252 [0,2,0,0,0,0|1,0,1]=4 13651 B18R2.2397 C#CCCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000731252 [0,2,0,0,0,0|1,0,1]=4 13652 B18R2.2397 C#CCCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100011215417 [0,2,0,0,0,0|1,0,1]=4 13653 B18R2.2397 C#CCCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000695029 [0,2,0,0,0,0|1,0,1]=4 13654 B18R2.2397 C#CCCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000688953 [0,2,0,0,0,0|0,0,2]=4 13655 B18R2.2397 C#CCCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000688953 [0,2,0,0,0,0|0,0,2]=4 13656 B18R2.2397 C/C=C/COC(C)c1ccc2ccccc2c1 34a_100011215343_100102629194 [0,2,0,0,0,0|0,0,2]=4 13657 B18R2.2397 C/C=C/COC(C)c1ccc2ccccc2c1 7a_100011215343_100102629194 [0,2,0,0,0,0|0,0,2]=4 13658 B18R2.2397 C=CCCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000757094 [0,2,0,0,0,0|1,0,1]=4 13659 B18R2.2397 C=CCCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100011713584 [0,2,0,0,0,0|1,0,1]=4 13660 B18R2.2397 C=CCCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000757094 [0,2,0,0,0,0|1,0,1]=4 13661 B18R2.2397 C=CCCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000757094 [0,2,0,0,0,0|1,0,1]=4 13662 B18R2.2397 C=CCCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000754431 [0,2,0,0,0,0|0,0,2]=4 13663 B18R2.2397 C=CCCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000754431 [0,2,0,0,0,0|0,0,2]=4 13664 B18R2.2397 CC#CCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000748600 [0,2,0,0,0,0|0,0,2]=4 13665 B18R2.2397 CC#CCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000748600 [0,2,0,0,0,0|0,0,2]=4 13666 B18R2.2397 CC(NCCCF)c1ccc2ccccc2c1 2230a_100000737073_100011934791 [0,2,0,0,0,0|2,0,0]=4 13667 B18R2.2397 CC(NCCCF)c1ccc2ccccc2c1 269862a_100015189416_100000210793 [0,2,0,0,0,0|2,0,0]=4 13668 B18R2.2397 CC(NCCCO)c1ccc2ccccc2c1 2230a_100000737073_100000230001 [0,2,0,0,0,0|2,0,0]=4 13669 B18R2.2397 CC(NCCCO)c1ccc2ccccc2c1 269862a_100000182051_100000210793 [0,2,0,0,0,0|2,0,0]=4 13670 B18R2.2397 CC(OCCC#N)c1ccc2ccccc2c1 7a_100011215343_100000184422 [0,2,0,0,0,0|1,0,1]=4 13671 B18R2.2397 CC(OCCCF)c1ccc2ccccc2c1 34a_100011215343_100011934791 [0,2,0,0,0,0|1,0,0]=3 13672 B18R2.2397 CC(OCCCF)c1ccc2ccccc2c1 7a_100011215343_100011934791 [0,2,0,0,0,0|1,0,0]=3 13673 B18R2.2397 CC(OCCCO)c1ccc2ccccc2c1 34a_100011215343_100000230001 [0,2,0,0,0,0|1,0,0]=3 13674 B18R2.2397 CC(OCCCO)c1ccc2ccccc2c1 7a_100011215343_100011215043 [0,2,0,0,0,0|1,0,0]=3 13675 B18R2.2397 CC/C=C\CC(=O)c1ccc2ccccc2c1 1458a_100000210637_100103147603 [0,2,0,0,0,0|1,0,1]=4 13676 B18R2.2397 CC/C=C\CN(C)c1ccc2ccccc2c1 2230a_100000181211_100103147603 [0,2,0,0,0,0|1,0,1]=4 13677 B18R2.2397 CC/C=C\CN(C)c1ccc2ccccc2c1 269982a_100000181211_100103147603 [0,2,0,0,0,0|1,0,1]=4 13678 B18R2.2397 CC/C=C\CN(C)c1ccc2ccccc2c1 34a_100000181211_100103147603 [0,2,0,0,0,0|1,0,1]=4 13679 B18R2.2397 CC=CCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000070051 [0,2,0,0,0,0|0,0,2]=4 13680 B18R2.2397 CC=CCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000070051 [0,2,0,0,0,0|0,0,2]=4 13681 B18R2.2397 CCC#CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100009813939 [0,2,0,0,0,0|1,0,1]=4 13682 B18R2.2397 CCC#CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100009813939 [0,2,0,0,0,0|1,0,1]=4 13683 B18R2.2397 CCC#CCN(C)c1ccc2ccccc2c1 34a_100000181211_100009813939 [0,2,0,0,0,0|1,0,1]=4 13684 B18R2.2397 CCCCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210326 [0,2,0,0,0,0|1,0,0]=3 13685 B18R2.2397 CCCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210326 [0,2,0,0,0,0|2,0,0]=4 13686 B18R2.2397 CCCCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210326 [0,2,0,0,0,0|2,0,0]=4 13687 B18R2.2397 CCCCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210326 [0,2,0,0,0,0|2,0,0]=4 13688 B18R2.2397 CCCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210326 [0,2,0,0,0,0|2,0,0]=4 13689 B18R2.2397 CCCCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210326 [0,2,0,0,0,0|1,0,0]=3 13690 B18R2.2397 CCCCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210215 [0,2,0,0,0,0|1,0,0]=3 13691 B18R2.2397 CCCCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000718602 [0,2,0,0,0,0|1,0,0]=3 13692 B18R2.2397 CCCCCN(C)c1ccc2ccccc2n1 27a_100000223495_100011291633 [0,2,0,0,0,0|2,0,0]=4 13693 B18R2.2397 CCCCNC(=O)c1ccc2ccccc2c1 11a_100000102301_100000210637 [0,2,0,0,0,0|1,0,0]=3 13694 B18R2.2397 CCCCNC(=O)c1ccc2ccccc2c1 1626a_100000102301_100000210637 [0,2,0,0,0,0|1,0,0]=3 13695 B18R2.2397 CCCCNC(=O)c1ccc2ccccc2c1 240690a_100000102301_100000210637 [0,2,0,0,0,0|1,0,0]=3 13696 B18R2.2397 CCCCNC(=O)c1ccc2ccccc2c1 527a_100000102301_100000210637 [0,2,0,0,0,0|1,0,0]=3 13697 B18R2.2397 CCCCNC(=O)c1ccc2cccnc2c1 11a_100000102301_100011933907 [0,2,0,0,0,0|2,0,0]=4 13698 B18R2.2397 CCCCNC(=O)c1ccc2cccnc2c1 1626a_100000102301_100011933907 [0,2,0,0,0,0|2,0,0]=4 13699 B18R2.2397 CCCCNC(=O)c1ccc2cccnc2c1 240690a_100000102301_100011933907 [0,2,0,0,0,0|2,0,0]=4 13700 B18R2.2397 CCCCNC(=O)c1ccc2cccnc2c1 527a_100000102301_100011933907 [0,2,0,0,0,0|2,0,0]=4 13701 B18R2.2397 CCCCNC(=O)c1ccc2ccncc2c1 11a_100000102301_100000070124 [0,2,0,0,0,0|2,0,0]=4 13702 B18R2.2397 CCCCNC(=O)c1ccc2ccncc2c1 1626a_100000102301_100000070124 [0,2,0,0,0,0|2,0,0]=4 13703 B18R2.2397 CCCCNC(=O)c1ccc2ccncc2c1 240690a_100000102301_100000070124 [0,2,0,0,0,0|2,0,0]=4 13704 B18R2.2397 CCCCNC(=O)c1ccc2ccncc2c1 527a_100000102301_100000070124 [0,2,0,0,0,0|2,0,0]=4 13705 B18R2.2397 CCCCNC(=O)c1ccc2cnccc2c1 11a_100000102301_100011935275 [0,2,0,0,0,0|2,0,0]=4 13706 B18R2.2397 CCCCNC(=O)c1ccc2cnccc2c1 1626a_100000102301_100011935275 [0,2,0,0,0,0|2,0,0]=4 13707 B18R2.2397 CCCCNC(=O)c1ccc2cnccc2c1 240690a_100000102301_100011935275 [0,2,0,0,0,0|2,0,0]=4 13708 B18R2.2397 CCCCNC(=O)c1ccc2cnccc2c1 527a_100000102301_100011935275 [0,2,0,0,0,0|2,0,0]=4 13709 B18R2.2397 CCCCNC(=O)c1ccc2ncccc2c1 11a_100000102301_100011216044 [0,2,0,0,0,0|2,0,0]=4 13710 B18R2.2397 CCCCNC(=O)c1ccc2ncccc2c1 1626a_100000102301_100011216044 [0,2,0,0,0,0|2,0,0]=4 13711 B18R2.2397 CCCCNC(=O)c1ccc2ncccc2c1 240690a_100000102301_100011216044 [0,2,0,0,0,0|2,0,0]=4 13712 B18R2.2397 CCCCNC(=O)c1ccc2ncccc2c1 527a_100000102301_100011216044 [0,2,0,0,0,0|2,0,0]=4 13713 B18R2.2397 CCCCNC(C)c1cc2ccccc2cn1 269862a_100000102301_200000084103 [0,2,0,0,0,0|2,0,0]=4 13714 B18R2.2397 CCCCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210211 [0,2,0,0,0,0|1,0,0]=3 13715 B18R2.2397 CCCCNC(C)c1ccc2ccccc2c1 269862a_100000102301_100000210793 [0,2,0,0,0,0|1,0,0]=3 13716 B18R2.2397 CCCCNC(C)c1ccc2ccccc2n1 269862a_100000102301_100000684817 [0,2,0,0,0,0|2,0,0]=4 13717 B18R2.2397 CCCCNC(C)c1ccc2ncccc2c1 269862a_100000102301_100011286481 [0,2,0,0,0,0|2,0,0]=4 13718 B18R2.2397 CCCCNC(C)c1cnc2ccccc2c1 269862a_100000102301_100011376191 [0,2,0,0,0,0|2,0,0]=4 13719 B18R2.2397 CCCCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000210210 [0,2,0,0,0,0|0,0,0]=2 13720 B18R2.2397 CCCCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000210211 [0,2,0,0,0,0|0,0,0]=2 13721 B18R2.2397 CCCNCC(O)c1ccc2ccccc2c1 2230a_100000754022_100000210303 [0,2,0,0,0,0|1,0,0]=3 13722 B18R2.2397 CCCNCC(O)c1ccc2ccccc2c1 34a_100000754022_100000210303 [0,2,0,0,0,0|1,0,0]=3 13723 B18R2.2397 CCCNN=C(C)c1ccc2ccccc2c1 4a_100000740057_100000210793 [0,2,0,0,0,0|2,0,0]=4 13724 B18R2.2397 CCCNNC(=O)c1ccc2ccccc2c1 22a_100000740057_100000210637 [0,2,0,0,0,0|2,0,0]=4 13725 B18R2.2397 CCCSCC(=O)c1ccc2ccccc2c1 62a_100000210303_100000211431 [0,2,0,0,0,0|1,0,0]=3 13726 B18R2.2397 CCCSCC(=O)c1ccc2ccccc2c1 62a_100000211431_100000210303 [0,2,0,0,0,0|1,0,0]=3 13727 B18R2.2397 CCOCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100011215890 [0,2,0,0,0,0|1,0,0]=3 13728 B18R2.2397 CCOCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100011215890 [0,2,0,0,0,0|2,0,0]=4 13729 B18R2.2397 CCOCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100011215890 [0,2,0,0,0,0|2,0,0]=4 13730 B18R2.2397 CCOCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100011215890 [0,2,0,0,0,0|2,0,0]=4 13731 B18R2.2397 CCOCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100011215890 [0,2,0,0,0,0|2,0,0]=4 13732 B18R2.2397 CCOCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100011215890 [0,2,0,0,0,0|1,0,0]=3 13733 B18R2.2397 CCOCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100011215890 [0,2,0,0,0,0|1,0,0]=3 13734 B18R2.2397 CCOCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210147 [0,2,0,0,0,0|1,0,0]=3 13735 B18R2.2397 CCSCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000757381 [0,2,0,0,0,0|1,0,0]=3 13736 B18R2.2397 CCSCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000757381 [0,2,0,0,0,0|2,0,0]=4 13737 B18R2.2397 CCSCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000757381 [0,2,0,0,0,0|2,0,0]=4 13738 B18R2.2397 CCSCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000757381 [0,2,0,0,0,0|2,0,0]=4 13739 B18R2.2397 CCSCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000757381 [0,2,0,0,0,0|2,0,0]=4 13740 B18R2.2397 CCSCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000757381 [0,2,0,0,0,0|1,0,0]=3 13741 B18R2.2397 CCSCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000757381 [0,2,0,0,0,0|1,0,0]=3 13742 B18R2.2397 CCSCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000757381 [0,2,0,0,0,0|1,0,0]=3 13743 B18R2.2397 CN(CCCC#N)c1ccc2ccccc2c1 2230a_100000181211_100000687738 [0,2,0,0,0,0|1,0,1]=4 13744 B18R2.2397 CN(CCCC#N)c1ccc2ccccc2c1 269982a_100000181211_100000687738 [0,2,0,0,0,0|1,0,1]=4 13745 B18R2.2397 CN(CCCC=O)c1ccc2ccccc2c1 2230a_100000181211_200011292268 [0,2,0,0,0,0|1,0,1]=4 13746 B18R2.2397 CN(CCCC=O)c1ccc2ccccc2c1 269982a_100000181211_200011292268 [0,2,0,0,0,0|1,0,1]=4 13747 B18R2.2397 CN(CCCCF)c1ccc2ccccc2c1 2230a_100000181211_100000729493 [0,2,0,0,0,0|1,0,0]=3 13748 B18R2.2397 CN(CCCCF)c1ccc2ccccc2c1 269982a_100000181211_100000729493 [0,2,0,0,0,0|1,0,0]=3 13749 B18R2.2397 CN(CCCCF)c1ccc2ccccc2c1 34a_100000181211_100000729493 [0,2,0,0,0,0|1,0,0]=3 13750 B18R2.2397 CN(CCCCO)c1ccc2ccccc2c1 2230a_100000181211_100000210776 [0,2,0,0,0,0|1,0,0]=3 13751 B18R2.2397 CN(CCCCO)c1ccc2ccccc2c1 269982a_100000181211_100000210776 [0,2,0,0,0,0|1,0,0]=3 13752 B18R2.2397 CN(CCCCO)c1ccc2ccccc2c1 34a_100000181211_100011216708 [0,2,0,0,0,0|1,0,0]=3 13753 B18R2.2397 CN(CCCCO)c1ccc2ccccc2n1 27a_100000717598_100011291633 [0,2,0,0,0,0|2,0,0]=4 13754 B18R2.2397 COCCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000740836 [0,2,0,0,0,0|1,0,0]=3 13755 B18R2.2397 COCCCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000740836 [0,2,0,0,0,0|2,0,0]=4 13756 B18R2.2397 COCCCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000740836 [0,2,0,0,0,0|2,0,0]=4 13757 B18R2.2397 COCCCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000740836 [0,2,0,0,0,0|2,0,0]=4 13758 B18R2.2397 COCCCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000740836 [0,2,0,0,0,0|2,0,0]=4 13759 B18R2.2397 COCCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000740836 [0,2,0,0,0,0|1,0,0]=3 13760 B18R2.2397 COCCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000740836 [0,2,0,0,0,0|1,0,0]=3 13761 B18R2.2397 COCCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000740836 [0,2,0,0,0,0|1,0,0]=3 13762 B18R2.2397 COCCCN(C)c1ccc2ccccc2n1 27a_100000224831_100011291633 [0,2,0,0,0,0|2,0,0]=4 13763 B18R2.2397 COCCNC(=O)c1ccc2ccccc2c1 1626a_100000209980_100000210637 [0,2,0,0,0,0|2,0,0]=4 13764 B18R2.2397 COCCNC(=O)c1ccc2ccccc2c1 240690a_100000209980_100000210637 [0,2,0,0,0,0|2,0,0]=4 13765 B18R2.2397 COCCNC(=O)c1ccc2ccccc2c1 527a_100000209980_100000210637 [0,2,0,0,0,0|2,0,0]=4 13766 B18R2.2397 COCCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100011201679 [0,2,0,0,0,0|2,0,0]=4 13767 B18R2.2397 COCCNC(C)c1ccc2ccccc2c1 269862a_100000209980_100000210793 [0,2,0,0,0,0|2,0,0]=4 13768 B18R2.2397 COCCOC(C)c1ccc2ccccc2c1 34a_100011215343_100011201679 [0,2,0,0,0,0|1,0,0]=3 13769 B18R2.2397 COCCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000233755 [0,2,0,0,0,0|1,0,0]=3 13770 B18R2.2397 COCNCC(O)c1ccc2ccccc2c1 2230a_100000754022_100000766300 [0,2,0,0,0,0|2,0,0]=4 13771 B18R2.2397 COCSCC(=O)c1ccc2ccccc2c1 62a_100000211431_100000766300 [0,2,0,0,0,0|2,0,0]=4 13772 B18R2.2397 COCSCC(=O)c1ccc2ccccc2c1 62a_100000766300_100000211431 [0,2,0,0,0,0|2,0,0]=4 13773 B18R2.2397 CSCCNC(=O)c1ccc2ccccc2c1 11a_100020590264_100000210637 [0,2,0,0,0,0|2,0,0]=4 13774 B18R2.2397 CSCCNC(=O)c1ccc2ccccc2c1 1626a_100020590264_100000210637 [0,2,0,0,0,0|2,0,0]=4 13775 B18R2.2397 CSCCNC(=O)c1ccc2ccccc2c1 240690a_100020590264_100000210637 [0,2,0,0,0,0|2,0,0]=4 13776 B18R2.2397 CSCCNC(=O)c1ccc2ccccc2c1 527a_100020590264_100000210637 [0,2,0,0,0,0|2,0,0]=4 13777 B18R2.2397 CSCCNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000751147 [0,2,0,0,0,0|2,0,0]=4 13778 B18R2.2397 CSCCNC(C)c1ccc2ccccc2c1 269862a_100020590264_100000210793 [0,2,0,0,0,0|2,0,0]=4 13779 B18R2.2397 CSCCOC(C)c1ccc2ccccc2c1 34a_100011215343_100000212216 [0,2,0,0,0,0|1,0,0]=3 13780 B18R2.2397 CSCCOC(C)c1ccc2ccccc2c1 7a_100011215343_100000212216 [0,2,0,0,0,0|1,0,0]=3 13781 B18R2.2397 CSCNCC(O)c1ccc2ccccc2c1 2230a_100000754022_100011218213 [0,2,0,0,0,0|2,0,0]=4 13782 B18R2.2397 CSCNCC(O)c1ccc2ccccc2c1 34a_100000754022_100011218213 [0,2,0,0,0,0|2,0,0]=4 13783 B18R2.2397 CSCSCC(=O)c1ccc2ccccc2c1 62a_100000211431_100011218213 [0,2,0,0,0,0|2,0,0]=4 13784 B18R2.2397 CSCSCC(=O)c1ccc2ccccc2c1 62a_100011218213_100000211431 [0,2,0,0,0,0|2,0,0]=4 13785 B18R2.2397 N#CCCCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000211468 [0,2,0,0,0,0|1,0,1]=4 13786 B18R2.2397 O=C(CCCCF)c1ccc2ccccc2c1 1458a_100000210637_100000729493 [0,2,0,0,0,0|1,0,0]=3 13787 B18R2.2397 O=C(CCCCF)c1ccc2cccnc2c1 1458a_100011933907_100000729493 [0,2,0,0,0,0|2,0,0]=4 13788 B18R2.2397 O=C(CCCCF)c1ccc2ccncc2c1 1458a_100000070124_100000729493 [0,2,0,0,0,0|2,0,0]=4 13789 B18R2.2397 O=C(CCCCF)c1ccc2cnccc2c1 1458a_100011935275_100000729493 [0,2,0,0,0,0|2,0,0]=4 13790 B18R2.2397 O=C(CCCCF)c1ccc2ncccc2c1 1458a_100011216044_100000729493 [0,2,0,0,0,0|2,0,0]=4 13791 B18R2.2397 O=C(CCCCO)c1ccc2ccccc2c1 1458a_100000210637_100000210776 [0,2,0,0,0,0|1,0,0]=3 13792 B18R2.2397 O=C(CCCCO)c1ccc2cccnc2c1 1458a_100011933907_100000210776 [0,2,0,0,0,0|2,0,0]=4 13793 B18R2.2397 O=C(CCCCO)c1ccc2ccncc2c1 1458a_100000070124_100000210776 [0,2,0,0,0,0|2,0,0]=4 13794 B18R2.2397 O=C(CCCCO)c1ccc2cnccc2c1 1458a_100011935275_100000210776 [0,2,0,0,0,0|2,0,0]=4 13795 B18R2.2397 O=C(CCCCO)c1ccc2ncccc2c1 1458a_100011216044_100000210776 [0,2,0,0,0,0|2,0,0]=4 13796 B18R2.2397 O=C(CNCCO)c1ccc2ccccc2c1 2230a_100016997473_100000211431 [0,2,0,0,0,0|2,0,0]=4 13797 B18R2.2397 O=C(CSCCF)c1ccc2ccccc2c1 62a_100000211431_100011217306 [0,2,0,0,0,0|2,0,0]=4 13798 B18R2.2397 O=C(CSCCF)c1ccc2ccccc2c1 62a_100011217306_100000211431 [0,2,0,0,0,0|2,0,0]=4 13799 B18R2.2397 O=C(CSCCO)c1ccc2ccccc2c1 62a_100000211431_100000211926 [0,2,0,0,0,0|2,0,0]=4 13800 B18R2.2397 O=C(CSCCO)c1ccc2ccccc2c1 62a_100000211926_100000211431 [0,2,0,0,0,0|2,0,0]=4 13801 B18R2.2397 O=C(NCCCF)c1ccc2ccccc2c1 11a_100015189416_100000210637 [0,2,0,0,0,0|2,0,0]=4 13802 B18R2.2397 O=C(NCCCF)c1ccc2ccccc2c1 1626a_100015189416_100000210637 [0,2,0,0,0,0|2,0,0]=4 13803 B18R2.2397 O=C(NCCCF)c1ccc2ccccc2c1 240690a_100015189416_100000210637 [0,2,0,0,0,0|2,0,0]=4 13804 B18R2.2397 O=C(NCCCF)c1ccc2ccccc2c1 527a_100015189416_100000210637 [0,2,0,0,0,0|2,0,0]=4 13805 B18R2.2397 O=C(NCCCO)c1ccc2ccccc2c1 240690a_100000182051_100000210637 [0,2,0,0,0,0|2,0,0]=4 13806 B18R2.2397 O=C(NCCCO)c1ccc2ccccc2c1 527a_100000182051_100000210637 [0,2,0,0,0,0|2,0,0]=4 13807 B18R2.2397 OC(CNCCF)c1ccc2ccccc2c1 2230a_100000754022_100011217306 [0,2,0,0,0,0|2,0,0]=4 13808 B18R2.2397 OC(CNCCF)c1ccc2ccccc2c1 34a_100000754022_100011217306 [0,2,0,0,0,0|2,0,0]=4 13809 B18R2.2397 OCCNCC(O)c1ccc2ccccc2c1 2230a_100000754022_100000211926 [0,2,0,0,0,0|2,0,0]=4 13810 B18R2.2397 OCCNCC(O)c1ccc2ccccc2c1 34a_100000754022_100000211926 [0,2,0,0,0,0|2,0,0]=4 13811 B18R2.12201 CCCCN(CC)c1ccc2ccccc2c1 2230a_100000220149_100000210211 [0,2,0,0,0,0|1,0,0]=3 13812 B18R2.12201 CCCCN(CC)c1ccc2ccccc2c1 269982a_100000220149_100000210211 [0,2,0,0,0,0|1,0,0]=3 13813 B18R2.12201 CCCCN(CC)c1ccc2ccccc2c1 34a_100000220149_100000210210 [0,2,0,0,0,0|1,0,0]=3 13814 B18R2.12201 CCCCN(CC)c1ccc2ccccc2c1 7a_100000220149_100000210211 [0,2,0,0,0,0|1,0,0]=3 13815 B18R2.12201 CCCCN(CC)c1ccc2ccccc2n1 27a_100000207695_100011291633 [0,2,0,0,0,0|2,0,0]=4 13816 B18R2.12201 CCCNC(CC)c1ccc2ccccc2c1 269862a_100020643023_200011220454 [0,2,0,0,0,0|2,0,0]=4 13817 B18R2.12201 CCCN[C@@H](CC)c1ccc2ccccc2c1 2230a_100020639264_100000210303 [0,2,0,0,0,0|2,0,0]=4 13818 B18R2.12201 CCCOC(CN)c1ccc2ccccc2c1 34a_100000754022_100000210303 [0,2,0,0,0,0|2,0,0]=4 13819 B18R2.12201 CCN(CCCF)c1ccc2ccccc2c1 2230a_100000220149_100011934791 [0,2,0,0,0,0|2,0,0]=4 13820 B18R2.12201 CCN(CCCF)c1ccc2ccccc2c1 269982a_100000220149_100011934791 [0,2,0,0,0,0|2,0,0]=4 13821 B18R2.12201 CCN(CCCF)c1ccc2ccccc2c1 34a_100000220149_100011934791 [0,2,0,0,0,0|2,0,0]=4 13822 B18R2.12201 CCN(CCCF)c1ccc2ccccc2c1 7a_100000220149_100011934791 [0,2,0,0,0,0|2,0,0]=4 13823 B18R2.12201 CCN(CCCO)c1ccc2ccccc2c1 2230a_100000220149_100000230001 [0,2,0,0,0,0|2,0,0]=4 13824 B18R2.12201 CCN(CCCO)c1ccc2ccccc2c1 269982a_100000220149_100011215043 [0,2,0,0,0,0|2,0,0]=4 13825 B18R2.12201 CCN(CCCO)c1ccc2ccccc2c1 34a_100000220149_100000230001 [0,2,0,0,0,0|2,0,0]=4 13826 B18R2.12201 CCN(CCCO)c1ccc2ccccc2c1 7a_100000220149_100011215043 [0,2,0,0,0,0|2,0,0]=4 13827 B18R2.12201 CCN(CCOC)c1ccc2ccccc2c1 2230a_100000220149_100011201679 [0,2,0,0,0,0|2,0,0]=4 13828 B18R2.12201 CCN(CCOC)c1ccc2ccccc2c1 269982a_100000220149_100000233755 [0,2,0,0,0,0|2,0,0]=4 13829 B18R2.12201 CCN(CCOC)c1ccc2ccccc2c1 34a_100000220149_100011201679 [0,2,0,0,0,0|2,0,0]=4 13830 B18R2.12201 CCN(CCOC)c1ccc2ccccc2c1 7a_100000220149_100000233755 [0,2,0,0,0,0|2,0,0]=4 13831 B18R2.12201 CCN(CCSC)c1ccc2ccccc2c1 2230a_100000220149_100000751147 [0,2,0,0,0,0|2,0,0]=4 13832 B18R2.12201 CCN(CCSC)c1ccc2ccccc2c1 269982a_100000220149_100000212216 [0,2,0,0,0,0|2,0,0]=4 13833 B18R2.12201 CCN(CCSC)c1ccc2ccccc2c1 34a_100000220149_100000212216 [0,2,0,0,0,0|2,0,0]=4 13834 B18R2.12201 CCN(CCSC)c1ccc2ccccc2c1 7a_100000220149_100000212216 [0,2,0,0,0,0|2,0,0]=4 13835 B18R2.12201 CCOCN(CC)c1ccc2ccccc2c1 269982a_100000220149_100000739092 [0,2,0,0,0,0|2,0,0]=4 13836 B18R2.14644 C=C(C)CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000730704 [0,2,0,0,0,0|1,0,1]=4 13837 B18R2.14644 C=C(C)CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000730704 [0,2,0,0,0,0|1,0,1]=4 13838 B18R2.14644 C=C(C)CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000730704 [0,2,0,0,0,0|1,0,1]=4 13839 B18R2.14644 C=C(C)CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000730704 [0,2,0,0,0,0|1,0,1]=4 13840 B18R2.14644 CC(=O)CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000053229 [0,2,0,0,0,0|1,0,1]=4 13841 B18R2.14644 CC(C)CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210312 [0,2,0,0,0,0|1,0,0]=3 13842 B18R2.14644 CC(C)CCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100000210312 [0,2,0,0,0,0|2,0,0]=4 13843 B18R2.14644 CC(C)CCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100000210312 [0,2,0,0,0,0|2,0,0]=4 13844 B18R2.14644 CC(C)CCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100000210312 [0,2,0,0,0,0|2,0,0]=4 13845 B18R2.14644 CC(C)CCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210312 [0,2,0,0,0,0|2,0,0]=4 13846 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210312 [0,2,0,0,0,0|1,0,0]=3 13847 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210312 [0,2,0,0,0,0|1,0,0]=3 13848 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210312 [0,2,0,0,0,0|1,0,0]=3 13849 B18R2.14644 CC(C)CCN(C)c1ccc2ccccc2n1 27a_100000742789_100011291633 [0,2,0,0,0,0|2,0,0]=4 13850 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 11a_100000210953_100000210637 [0,2,0,0,0,0|2,0,0]=4 13851 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 1626a_100000210953_100000210637 [0,2,0,0,0,0|2,0,0]=4 13852 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 240690a_100000210953_100000210637 [0,2,0,0,0,0|2,0,0]=4 13853 B18R2.14644 CC(C)CNC(=O)c1ccc2ccccc2c1 527a_100000210953_100000210637 [0,2,0,0,0,0|2,0,0]=4 13854 B18R2.14644 CC(C)CNC(C)c1ccc2ccccc2c1 2230a_100000737073_100000210760 [0,2,0,0,0,0|2,0,0]=4 13855 B18R2.14644 CC(C)CNC(C)c1ccc2ccccc2c1 269862a_100000210953_100000210793 [0,2,0,0,0,0|2,0,0]=4 13856 B18R2.14644 CC(C)CNC(C)c1ccc2ccccc2c1 270004a_100000737073_100000210432 [0,2,0,0,0,0|2,0,0]=4 13857 B18R2.14644 CC(C)COC(C)c1ccc2ccccc2c1 34a_100011215343_100000210624 [0,2,0,0,0,0|2,0,0]=4 13858 B18R2.14644 CC(C)COC(C)c1ccc2ccccc2c1 7a_100011215343_100000210760 [0,2,0,0,0,0|2,0,0]=4 13859 B18R2.14644 CC(C)NCC(=O)c1ccc2ccccc2c1 2230a_100138425928_100000211431 [0,2,0,0,0,0|2,0,0]=4 13860 B18R2.14644 CC(C)NCC(O)c1ccc2ccccc2c1 2230a_100000754022_100000210206 [0,2,0,0,0,0|2,0,0]=4 13861 B18R2.14644 CC(C)NCC(O)c1ccc2ccccc2c1 34a_100000754022_100000210206 [0,2,0,0,0,0|2,0,0]=4 13862 B18R2.14644 CC(C)OCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000709892 [0,2,0,0,0,0|2,0,0]=4 13863 B18R2.14644 CC(C)OCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000709892 [0,2,0,0,0,0|2,0,0]=4 13864 B18R2.14644 CC(C)OCN(C)c1ccc2ccccc2c1 34a_100000181211_100000709892 [0,2,0,0,0,0|2,0,0]=4 13865 B18R2.14644 CC(C)SCC(=O)c1ccc2ccccc2c1 62a_100000210206_100000211431 [0,2,0,0,0,0|2,0,0]=4 13866 B18R2.14644 CC(C)SCC(=O)c1ccc2ccccc2c1 62a_100000211431_100000210206 [0,2,0,0,0,0|2,0,0]=4 13867 B18R2.14644 CC(NC[C@@H](C)O)c1ccc2ccccc2c1 2230a_100000737073_100009817552 [0,2,0,0,0,0|2,0,0]=4 13868 B18R2.14644 CC(O)CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100012276601 [0,2,0,0,0,0|1,0,0]=3 13869 B18R2.14644 CC(O)CCC(=O)c1ccc2cccnc2c1 1458a_100011933907_100012276601 [0,2,0,0,0,0|2,0,0]=4 13870 B18R2.14644 CC(O)CCC(=O)c1ccc2ccncc2c1 1458a_100000070124_100012276601 [0,2,0,0,0,0|2,0,0]=4 13871 B18R2.14644 CC(O)CCC(=O)c1ccc2cnccc2c1 1458a_100011935275_100012276601 [0,2,0,0,0,0|2,0,0]=4 13872 B18R2.14644 CC(O)CCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100012276601 [0,2,0,0,0,0|2,0,0]=4 13873 B18R2.14644 CC(O)CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100012276601 [0,2,0,0,0,0|1,0,0]=3 13874 B18R2.14644 CC(O)CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100012276601 [0,2,0,0,0,0|1,0,0]=3 13875 B18R2.14644 CC(O)CCN(C)c1ccc2ccccc2c1 34a_100000181211_100012276601 [0,2,0,0,0,0|1,0,0]=3 13876 B18R2.14644 CC(O)CNC(=O)c1ccc2ccccc2c1 11a_100000210904_100000210637 [0,2,0,0,0,0|2,0,0]=4 13877 B18R2.14644 CC(O)CNC(=O)c1ccc2ccccc2c1 240690a_100000210904_100000210637 [0,2,0,0,0,0|2,0,0]=4 13878 B18R2.14644 CC(O)CNC(=O)c1ccc2ccccc2c1 527a_100000210904_100000210637 [0,2,0,0,0,0|2,0,0]=4 13879 B18R2.14644 CC(O)CNC(C)c1ccc2ccccc2c1 2230a_100000737073_100011218427 [0,2,0,0,0,0|2,0,0]=4 13880 B18R2.14644 CC(O)CNC(C)c1ccc2ccccc2c1 269862a_100000210904_100000210793 [0,2,0,0,0,0|2,0,0]=4 13881 B18R2.14644 CC(O)COC(C)c1ccc2ccccc2c1 34a_100011215343_100011218427 [0,2,0,0,0,0|2,0,0]=4 13882 B18R2.14644 CC(O)COC(C)c1ccc2ccccc2c1 7a_100011215343_100011218427 [0,2,0,0,0,0|2,0,0]=4 13883 B18R2.14644 CC(OC[C@@H](C)O)c1ccc2ccccc2c1 34a_100011215343_100009817552 [0,2,0,0,0,0|2,0,0]=4 13884 B18R2.14644 CC(OC[C@@H](C)O)c1ccc2ccccc2c1 7a_100011215343_100009817552 [0,2,0,0,0,0|2,0,0]=4 13885 B18R2.14644 CN(C)CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000755713 [0,2,0,0,0,0|2,0,0]=4 13886 B18R2.14699 CC(CCO)C(=O)c1ccc2ccccc2c1 1458a_100000210637_100009893172 [0,2,0,0,0,0|2,0,0]=4 13887 B18R2.14699 CC(CCO)N(C)c1ccc2ccccc2c1 2230a_100000181211_100009893172 [0,2,0,0,0,0|2,0,0]=4 13888 B18R2.14699 CC(CCO)N(C)c1ccc2ccccc2c1 269982a_100000181211_100009893172 [0,2,0,0,0,0|2,0,0]=4 13889 B18R2.14699 CC(CCO)N(C)c1ccc2ccccc2c1 34a_100000181211_100009893172 [0,2,0,0,0,0|2,0,0]=4 13890 B18R2.14699 CCCC(=O)N(C)c1ccc2ccccc2c1 11a_100000181211_100000211992 [0,2,0,0,0,0|1,0,1]=4 13891 B18R2.14699 CCCC(=O)N(C)c1ccc2ccccc2c1 1626a_100000181211_100000211992 [0,2,0,0,0,0|1,0,1]=4 13892 B18R2.14699 CCCC(=O)N(C)c1ccc2ccccc2c1 22a_100000181211_100000211992 [0,2,0,0,0,0|1,0,1]=4 13893 B18R2.14699 CCCC(=O)N(C)c1ccc2ccccc2c1 527a_100000181211_100000211992 [0,2,0,0,0,0|1,0,1]=4 13894 B18R2.14699 CCCC(C)C(=O)c1ccc2ccccc2c1 1458a_100000210637_100000766640 [0,2,0,0,0,0|1,0,0]=3 13895 B18R2.14699 CCCC(C)C(=O)c1ccc2cccnc2c1 1458a_100011933907_100000766640 [0,2,0,0,0,0|2,0,0]=4 13896 B18R2.14699 CCCC(C)C(=O)c1ccc2ccncc2c1 1458a_100000070124_100000766640 [0,2,0,0,0,0|2,0,0]=4 13897 B18R2.14699 CCCC(C)C(=O)c1ccc2cnccc2c1 1458a_100011935275_100000766640 [0,2,0,0,0,0|2,0,0]=4 13898 B18R2.14699 CCCC(C)C(=O)c1ccc2ncccc2c1 1458a_100011216044_100000766640 [0,2,0,0,0,0|2,0,0]=4 13899 B18R2.14699 CCCC(C)N(C)c1ccc2ccccc2c1 2230a_100000181211_100000766640 [0,2,0,0,0,0|1,0,0]=3 13900 B18R2.14699 CCCC(C)N(C)c1ccc2ccccc2c1 269982a_100000181211_100000766640 [0,2,0,0,0,0|1,0,0]=3 13901 B18R2.14699 CCCC(C)N(C)c1ccc2ccccc2c1 34a_100000181211_100000766640 [0,2,0,0,0,0|1,0,0]=3 13902 B18R2.14699 CCCN(C)C(=O)c1ccc2ccccc2c1 11a_100000747261_100000210637 [0,2,0,0,0,0|2,0,0]=4 13903 B18R2.14699 CCCN(C)C(=O)c1ccc2ccccc2c1 1626a_100000747261_100000210637 [0,2,0,0,0,0|2,0,0]=4 13904 B18R2.14699 CCCN(C)C(=O)c1ccc2ccccc2c1 240690a_100000747261_100000210637 [0,2,0,0,0,0|2,0,0]=4 13905 B18R2.14699 CCCN(C)C(=O)c1ccc2ccccc2c1 527a_100000747261_100000210637 [0,2,0,0,0,0|2,0,0]=4 13906 B18R2.14699 CCCN(C)C(C)c1ccc2ccccc2c1 2230a_100000744356_100000210303 [0,2,0,0,0,0|2,0,0]=4 13907 B18R2.14699 CCCN(C)C(C)c1ccc2ccccc2c1 269982a_100000744356_100000210303 [0,2,0,0,0,0|2,0,0]=4 13908 B18R2.14699 COCC(C)C(=O)c1ccc2ccccc2c1 1458a_100000210637_100000765312 [0,2,0,0,0,0|2,0,0]=4 13909 B18R2.14699 COCC(C)N(C)c1ccc2ccccc2c1 2230a_100000181211_100000765312 [0,2,0,0,0,0|2,0,0]=4 13910 B18R2.14699 COCC(C)N(C)c1ccc2ccccc2c1 269982a_100000181211_100000765312 [0,2,0,0,0,0|2,0,0]=4 13911 B18R2.14699 COCC(C)N(C)c1ccc2ccccc2c1 34a_100000181211_100000765312 [0,2,0,0,0,0|2,0,0]=4 13912 B18R2.29180 CCCNS(=O)(=O)c1ccc2ccccc2c1 270084a_100020643023_100000210365 [0,2,0,0,0,0|1,1,0]=4 13913 B18R2.29180 CCCNS(=O)(=O)c1ccc2ccccc2c1 274078a_100020643023_100000210365 [0,2,0,0,0,0|1,1,0]=4 13914 B18R2.123594 CCCCC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100000210211 [0,2,0,0,0,0|1,0,0]=3 13915 B18R2.123594 CCCCC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100000210211 [0,2,0,0,0,0|1,0,0]=3 13916 B18R2.123594 CCCCC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_100000210211 [0,2,0,0,0,0|1,0,0]=3 13917 B18R2.123594 CCCCC(=O)c1ccc2nc(ccc2c1)C 1458a_100000691375_100000210211 [0,2,0,0,0,0|2,0,0]=4 13918 B18R2.123594 CCCCC(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_100000210211 [0,2,0,0,0,0|2,0,0]=4 13919 B18R2.123594 CCCCC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_100000210211 [0,2,0,0,0,0|2,0,0]=4 13920 B18R2.123594 CCCCC(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_100000210211 [0,2,0,0,0,0|2,0,0]=4 13921 B18R2.123594 CCCCN(C)c1ccc2cc(ccc2n1)C 27a_100000207549_100011865911 [0,2,0,0,0,0|2,0,0]=4 13922 B18R2.123594 CCCCN(C)c1ccc2cc(ccc2n1)F 27a_100000207549_100011998705 [0,2,0,0,0,0|2,0,0]=4 13923 B18R2.123594 CCCCN(C)c1ccc2cc(cnc2c1)Br 27a_100000207549_200015509644 [0,2,0,0,0,0|2,0,0]=4 13924 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Br 11a_100020643023_100000759775 [0,2,0,0,0,0|2,0,0]=4 13925 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Br 1626a_100020643023_100000759775 [0,2,0,0,0,0|2,0,0]=4 13926 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Br 240690a_100020643023_100000759775 [0,2,0,0,0,0|2,0,0]=4 13927 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Br 527a_100020643023_100000759775 [0,2,0,0,0,0|2,0,0]=4 13928 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Cl 11a_100020643023_200010245464 [0,2,0,0,0,0|2,0,0]=4 13929 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Cl 1626a_100020643023_200010245464 [0,2,0,0,0,0|2,0,0]=4 13930 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Cl 240690a_100020643023_200010245464 [0,2,0,0,0,0|2,0,0]=4 13931 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)Cl 527a_100020643023_200010245464 [0,2,0,0,0,0|2,0,0]=4 13932 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)F 11a_100020643023_200000042716 [0,2,0,0,0,0|2,0,0]=4 13933 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)F 1626a_100020643023_200000042716 [0,2,0,0,0,0|2,0,0]=4 13934 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)F 240690a_100020643023_200000042716 [0,2,0,0,0,0|2,0,0]=4 13935 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)F 527a_100020643023_200000042716 [0,2,0,0,0,0|2,0,0]=4 13936 B18R2.123594 CCCNC(=O)c1ccc2cc(ccc2c1)O 240690a_100020643023_100000234869 [0,2,0,0,0,0|2,0,0]=4 13937 B18R2.123594 CCCNC(C)c1ccc2cc(ccc2c1)Br 269862a_100020643023_100012339427 [0,2,0,0,0,0|2,0,0]=4 13938 B18R2.123594 CCCNC(C)c1ccc2cc(ccc2c1)O 269862a_100020643023_100000074906 [0,2,0,0,0,0|2,0,0]=4 13939 B18R2.123594 CCOCC(=O)c1ccc2cc(ccc2c1)Br 34a_100121572206_100012992788 [0,2,0,0,0,0|2,0,0]=4 13940 B18R2.123594 CCSCC(=O)c1ccc2cc(ccc2c1)Br 62a_100000210202_100012992788 [0,2,0,0,0,0|2,0,0]=4 13941 B18R2.123594 CCSCC(=O)c1ccc2cc(ccc2c1)Br 62a_100012992788_100000210202 [0,2,0,0,0,0|2,0,0]=4 13942 B18R2.123594 COCCC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100000233755 [0,2,0,0,0,0|2,0,0]=4 13943 B18R2.123594 COCCC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100000233755 [0,2,0,0,0,0|2,0,0]=4 13944 B18R2.123594 COCCC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_100000233755 [0,2,0,0,0,0|2,0,0]=4 13945 B18R2.123594 CSCCC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100000751147 [0,2,0,0,0,0|2,0,0]=4 13946 B18R2.123594 CSCCC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100000751147 [0,2,0,0,0,0|2,0,0]=4 13947 B18R2.123594 CSCCC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_100000751147 [0,2,0,0,0,0|2,0,0]=4 13948 B18R2.123594 O=C(CCCF)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100011934791 [0,2,0,0,0,0|2,0,0]=4 13949 B18R2.123594 O=C(CCCF)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100011934791 [0,2,0,0,0,0|2,0,0]=4 13950 B18R2.123594 O=C(CCCF)c1ccc2cc(ccc2c1)F 1458a_200000042716_100011934791 [0,2,0,0,0,0|2,0,0]=4 13951 B18R2.123594 O=C(CCCO)c1ccc2cc(ccc2c1)Br 1458a_100000759775_100011215043 [0,2,0,0,0,0|2,0,0]=4 13952 B18R2.123594 O=C(CCCO)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_100011215043 [0,2,0,0,0,0|2,0,0]=4 13953 B18R2.123594 O=C(CCCO)c1ccc2cc(ccc2c1)F 1458a_200000042716_100011215043 [0,2,0,0,0,0|2,0,0]=4 13954 B18R2.123715 CCCCC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_100000210211 [0,2,0,0,0,0|2,0,0]=4 13955 B18R2.123715 CCCCN(C)c1cc(c2ccccc2n1)C 27a_100000207549_100000184993 [0,2,0,0,0,0|2,0,0]=4 13956 B18R2.123715 CCCCN(C)c1cc(c2cnccc2c1)F 27a_100000207549_100011068762 [0,2,0,0,0,0|2,0,0]=4 13957 B18R2.123786 CCCCC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_100000210211 [0,2,0,0,0,0|1,0,0]=3 13958 B18R2.123786 CCCCC(=O)c1cc2ccccc2cc1O 1458a_100000212107_100000210211 [0,2,0,0,0,0|1,0,0]=3 13959 B18R2.123786 CCCCN(C)c1nc2ccccc2cc1C 27a_100000207549_100000751756 [0,2,0,0,0,0|2,0,0]=4 13960 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1Cl 11a_100020643023_100010003416 [0,2,0,0,0,0|2,0,0]=4 13961 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1Cl 1626a_100020643023_100010003416 [0,2,0,0,0,0|2,0,0]=4 13962 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1Cl 240690a_100020643023_100010003416 [0,2,0,0,0,0|2,0,0]=4 13963 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1Cl 527a_100020643023_100010003416 [0,2,0,0,0,0|2,0,0]=4 13964 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1O 11a_100020643023_100000212107 [0,2,0,0,0,0|2,0,0]=4 13965 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1O 1626a_100020643023_100000212107 [0,2,0,0,0,0|2,0,0]=4 13966 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1O 240690a_100020643023_100000212107 [0,2,0,0,0,0|2,0,0]=4 13967 B18R2.123786 CCCNC(=O)c1cc2ccccc2cc1O 527a_100020643023_100000212107 [0,2,0,0,0,0|2,0,0]=4 13968 B18R2.123786 COCCC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_100000233755 [0,2,0,0,0,0|2,0,0]=4 13969 B18R2.123786 COCCC(=O)c1cc2ccccc2cc1O 1458a_100000212107_100000233755 [0,2,0,0,0,0|2,0,0]=4 13970 B18R2.123786 CSCCC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_100000751147 [0,2,0,0,0,0|2,0,0]=4 13971 B18R2.123786 CSCCC(=O)c1cc2ccccc2cc1O 1458a_100000212107_100000751147 [0,2,0,0,0,0|2,0,0]=4 13972 B18R2.123786 O=C(CCCF)c1cc2ccccc2cc1Cl 1458a_100010003416_100011934791 [0,2,0,0,0,0|2,0,0]=4 13973 B18R2.123786 O=C(CCCF)c1cc2ccccc2cc1O 1458a_100000212107_100011934791 [0,2,0,0,0,0|2,0,0]=4 13974 B18R2.123786 O=C(CCCO)c1cc2ccccc2cc1Cl 1458a_100010003416_100011215043 [0,2,0,0,0,0|2,0,0]=4 13975 B18R2.123786 O=C(CCCO)c1cc2ccccc2cc1O 1458a_100000212107_100011215043 [0,2,0,0,0,0|2,0,0]=4 13976 B18R2.886967 CCCCC(=O)c1ccc2c(=O)[nH]ccc2c1 1458a_200015497760_100000210211 [0,2,0,0,0,0|2,0,0]=4 13977 B18R2.886967 CCCCC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_100000210211 [0,2,0,0,0,0|1,0,0]=3 13978 B18R2.886967 CCCCC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100000210211 [0,2,0,0,0,0|1,0,0]=3 13979 B18R2.886967 CCCCC(=O)c1ccc2c(ccnc2c1)Cl 1458a_100010240032_100000210211 [0,2,0,0,0,0|2,0,0]=4 13980 B18R2.886967 CCCCC(=O)c1ccc2c(nccc2c1)Cl 1458a_100010201666_100000210211 [0,2,0,0,0,0|2,0,0]=4 13981 B18R2.886967 CCCCN(C)c1ccc2c(ccnc2c1)Cl 27a_100000207549_100009996786 [0,2,0,0,0,0|2,0,0]=4 13982 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Br 11a_100020643023_100000691321 [0,2,0,0,0,0|2,0,0]=4 13983 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Br 1626a_100020643023_100000691321 [0,2,0,0,0,0|2,0,0]=4 13984 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Br 240690a_100020643023_100000691321 [0,2,0,0,0,0|2,0,0]=4 13985 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Br 527a_100020643023_100000691321 [0,2,0,0,0,0|2,0,0]=4 13986 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Cl 11a_100020643023_100010089951 [0,2,0,0,0,0|2,0,0]=4 13987 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Cl 1626a_100020643023_100010089951 [0,2,0,0,0,0|2,0,0]=4 13988 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Cl 240690a_100020643023_100010089951 [0,2,0,0,0,0|2,0,0]=4 13989 B18R2.886967 CCCNC(=O)c1ccc2c(cccc2c1)Cl 527a_100020643023_100010089951 [0,2,0,0,0,0|2,0,0]=4 13990 B18R2.886967 COCCC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_100000233755 [0,2,0,0,0,0|2,0,0]=4 13991 B18R2.886967 COCCC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100000233755 [0,2,0,0,0,0|2,0,0]=4 13992 B18R2.886967 CSCCC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_100000751147 [0,2,0,0,0,0|2,0,0]=4 13993 B18R2.886967 CSCCC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100000751147 [0,2,0,0,0,0|2,0,0]=4 13994 B18R2.886967 O=C(CCCF)c1ccc2c(cccc2c1)Br 1458a_100000691321_100011934791 [0,2,0,0,0,0|2,0,0]=4 13995 B18R2.886967 O=C(CCCF)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100011934791 [0,2,0,0,0,0|2,0,0]=4 13996 B18R2.886967 O=C(CCCO)c1ccc2c(cccc2c1)Br 1458a_100000691321_100011215043 [0,2,0,0,0,0|2,0,0]=4 13997 B18R2.886967 O=C(CCCO)c1ccc2c(cccc2c1)Cl 1458a_100010089951_100011215043 [0,2,0,0,0,0|2,0,0]=4 13998 B18R2.2054 CC(CC#N)Oc1ccc2ccccc2c1Br 7a_100000183829_100009813641 [0,2,0,0,0,0|1,0,1]=4 13999 B18R2.2054 CC(CC#N)Oc1ccc2ccccc2c1Cl 7a_100000029778_100009813641 [0,2,0,0,0,0|1,0,1]=4 14000 B18R2.2054 CC(CC#N)Oc1ccc2ccccc2c1I 7a_100000041551_100009813641 [0,2,0,0,0,0|1,0,1]=4 14001 B18R2.2054 CC(CC#N)Oc1ccc2ccccc2c1N 7a_100000007056_100009813641 [0,2,0,0,0,0|1,0,1]=4 14002 B18R2.2054 CC(CCO)Nc1ccc2ccccc2c1Br 34a_100000705303_100009893172 [0,2,0,0,0,0|2,0,0]=4 14003 B18R2.2054 CC(CCO)Nc1ccc2ccccc2c1Cl 34a_100000075557_100009893172 [0,2,0,0,0,0|2,0,0]=4 14004 B18R2.2054 CC(CCO)Nc1ccc2ccccc2c1O 34a_100000007060_100009893172 [0,2,0,0,0,0|2,0,0]=4 14005 B18R2.2054 CC(CCO)Oc1ccc2ccccc2c1Br 34a_100000183829_100009893172 [0,2,0,0,0,0|1,0,0]=3 14006 B18R2.2054 CC(CCO)Oc1ccc2ccccc2c1Br 7a_100000183829_100009893172 [0,2,0,0,0,0|1,0,0]=3 14007 B18R2.2054 CC(CCO)Oc1ccc2ccccc2c1Cl 34a_100000029778_100009893172 [0,2,0,0,0,0|1,0,0]=3 14008 B18R2.2054 CC(CCO)Oc1ccc2ccccc2c1Cl 7a_100000029778_100009893172 [0,2,0,0,0,0|1,0,0]=3 14009 B18R2.2054 CC(CCO)Oc1ccc2ccccc2c1I 34a_100000041551_100009893172 [0,2,0,0,0,0|1,0,0]=3 14010 B18R2.2054 CC(CCO)Oc1ccc2ccccc2c1I 7a_100000041551_100009893172 [0,2,0,0,0,0|1,0,0]=3 14011 B18R2.2054 CC(CCO)Oc1ccc2ccccc2c1N 34a_100000007056_100009893172 [0,2,0,0,0,0|1,0,0]=3 14012 B18R2.2054 CC(CCO)Oc1ccc2ccccc2c1N 7a_100000007056_100009893172 [0,2,0,0,0,0|1,0,0]=3 14013 B18R2.2054 CC(CCO)Oc1ccc2cccnc2c1Br 34a_100010173343_100009893172 [0,2,0,0,0,0|2,0,0]=4 14014 B18R2.2054 CC(CCO)Oc1ccc2cccnc2c1Br 7a_100010173343_100009893172 [0,2,0,0,0,0|2,0,0]=4 14015 B18R2.2054 CC(CCO)Oc1ccc2ccncc2c1Br 34a_200010115057_100009893172 [0,2,0,0,0,0|2,0,0]=4 14016 B18R2.2054 CC(CCO)Oc1ccc2ccncc2c1Br 7a_200010115057_100009893172 [0,2,0,0,0,0|2,0,0]=4 14017 B18R2.2054 CC(CCO)Oc1ccc2cnccc2c1Cl 34a_100009824633_100009893172 [0,2,0,0,0,0|2,0,0]=4 14018 B18R2.2054 CC(CCO)Oc1ccc2cnccc2c1Cl 7a_100009824633_100009893172 [0,2,0,0,0,0|2,0,0]=4 14019 B18R2.2054 CC(CCO)Sc1ccc2ccccc2c1Br 62a_100009893172_200010089984 [0,2,0,0,0,0|1,1,0]=4 14020 B18R2.2054 CC(CCO)Sc1ccc2ccccc2c1Br 62a_200010089984_100009893172 [0,2,0,0,0,0|1,1,0]=4 14021 B18R2.2054 CC(CCO)Sc1ccc2ccccc2c1F 62a_100009832041_100009893172 [0,2,0,0,0,0|1,1,0]=4 14022 B18R2.2054 CC(CCO)Sc1ccc2ccccc2c1F 62a_100009893172_100009832041 [0,2,0,0,0,0|1,1,0]=4 14023 B18R2.2054 CC(CCO)Sc1ccc2ccccc2c1N 62a_100009817101_100009893172 [0,2,0,0,0,0|1,1,0]=4 14024 B18R2.2054 CC(CCO)Sc1ccc2ccccc2c1O 62a_100009893172_100009996032 [0,2,0,0,0,0|1,1,0]=4 14025 B18R2.2054 CCCC(=O)Cc1ccc2ccccc2c1Br 1458a_100000211992_100009813938 [0,2,0,0,0,0|1,0,1]=4 14026 B18R2.2054 CCCC(=O)Nc1ccc2ccccc2c1Br 11a_100000705303_100000211992 [0,2,0,0,0,0|1,0,1]=4 14027 B18R2.2054 CCCC(=O)Nc1ccc2ccccc2c1Br 1626a_100000705303_100000211992 [0,2,0,0,0,0|1,0,1]=4 14028 B18R2.2054 CCCC(=O)Nc1ccc2ccccc2c1Cl 11a_100000075557_100000211992 [0,2,0,0,0,0|1,0,1]=4 14029 B18R2.2054 CCCC(=O)Nc1ccc2ccccc2c1Cl 1626a_100000075557_100000211992 [0,2,0,0,0,0|1,0,1]=4 14030 B18R2.2054 CCCC(=O)Nc1ccc2ccccc2c1O 22a_100000007060_100000211992 [0,2,0,0,0,0|1,0,1]=4 14031 B18R2.2054 CCCC(=O)Nc1ccc2ccccc2c1O 527a_100000007060_100000211992 [0,2,0,0,0,0|1,0,1]=4 14032 B18R2.2054 CCCC(C)Nc1ccc2ccccc2c1O 34a_100000007060_100000766640 [0,2,0,0,0,0|1,0,0]=3 14033 B18R2.2054 CCCC(C)Nc1ccc2cnccc2c1Cl 34a_100009851981_100000766640 [0,2,0,0,0,0|2,0,0]=4 14034 B18R2.2054 CCCC(C)Nc1ccc2ncccc2c1Br 34a_200009995563_100000766640 [0,2,0,0,0,0|2,0,0]=4 14035 B18R2.2054 CCCC(C)Oc1ccc2ccccc2c1C 34a_100009830054_100000766640 [0,2,0,0,0,0|0,0,0]=2 14036 B18R2.2054 CCCC(C)Oc1ccc2ccccc2c1C 7a_100009830054_100000766640 [0,2,0,0,0,0|0,0,0]=2 14037 B18R2.2054 CCCC(C)Oc1ccc2ccccc2c1N 34a_100000007056_100000766640 [0,2,0,0,0,0|0,0,0]=2 14038 B18R2.2054 CCCC(C)Oc1ccc2ccccc2c1N 7a_100000007056_100000766640 [0,2,0,0,0,0|0,0,0]=2 14039 B18R2.2054 CCCC(C)Oc1ccc2cccnc2c1Br 34a_100010173343_100000766640 [0,2,0,0,0,0|1,0,0]=3 14040 B18R2.2054 CCCC(C)Oc1ccc2cccnc2c1Br 7a_100010173343_100000766640 [0,2,0,0,0,0|1,0,0]=3 14041 B18R2.2054 CCCC(C)Oc1ccc2ccncc2c1Br 34a_200010115057_100000766640 [0,2,0,0,0,0|1,0,0]=3 14042 B18R2.2054 CCCC(C)Oc1ccc2ccncc2c1Br 7a_200010115057_100000766640 [0,2,0,0,0,0|1,0,0]=3 14043 B18R2.2054 CCCC(C)Oc1ccc2cnccc2c1Cl 34a_100009824633_100000766640 [0,2,0,0,0,0|1,0,0]=3 14044 B18R2.2054 CCCC(C)Oc1ccc2cnccc2c1Cl 7a_100009824633_100000766640 [0,2,0,0,0,0|1,0,0]=3 14045 B18R2.2054 CCCC(C)Sc1c[nH]c2ccccc2c1=O 62a_100000766640_100012348052 [0,2,0,0,0,0|1,1,0]=4 14046 B18R2.2054 CCCC(C)Sc1ccc2ccccc2c1N 62a_100009817101_100000766640 [0,2,0,0,0,0|0,1,0]=3 14047 B18R2.2054 CCCC(C)Sc1ccc2ccccc2c1O 62a_100000766640_100009996032 [0,2,0,0,0,0|0,1,0]=3 14048 B18R2.2054 CCCC(C)Sc1ccc2cccnc2c1C 62a_100000766640_100010214467 [0,2,0,0,0,0|1,1,0]=4 14049 B18R2.2054 CCCC(C)Sc1ccc2cccnc2c1F 62a_100000766640_100010751467 [0,2,0,0,0,0|1,1,0]=4 14050 B18R2.2054 CCCC(C)Sc1ccc2cccnc2c1F 62a_100010751467_100000766640 [0,2,0,0,0,0|1,1,0]=4 14051 B18R2.2054 CCCC(C)Sc1ccc2cccnc2c1O 62a_100000766640_100009816563 [0,2,0,0,0,0|1,1,0]=4 14052 B18R2.2054 CCCC(C)Sc1ccc2cnccc2c1N 62a_100000766640_100010191621 [0,2,0,0,0,0|1,1,0]=4 14053 B18R2.2054 CCCC(C)Sc1ccc2cnccc2c1N 62a_100010191621_100000766640 [0,2,0,0,0,0|1,1,0]=4 14054 B18R2.2054 CCCC(C)Sc1ccc2ncccc2c1C 62a_100000766640_200010137439 [0,2,0,0,0,0|1,1,0]=4 14055 B18R2.2054 CCCC(C)Sc1ccc2ncccc2c1C 62a_200010137439_100000766640 [0,2,0,0,0,0|1,1,0]=4 14056 B18R2.2054 CCCC(C)Sc1ccc2ncccc2c1N 62a_200010235790_100000766640 [0,2,0,0,0,0|1,1,0]=4 14057 B18R2.2054 CCCC(C)Sc1cnc2ccccc2c1N 62a_100000766640_100009995562 [0,2,0,0,0,0|1,1,0]=4 14058 B18R2.2054 CCCC(C)Sc1cnc2ccccc2c1N 62a_100009995562_100000766640 [0,2,0,0,0,0|1,1,0]=4 14059 B18R2.2054 CCCC(C)Sc1coc2ccccc2c1=O 62a_100000766640_100009813851 [0,2,0,0,0,0|1,1,0]=4 14060 B18R2.2054 CCCC(C)Sc1ncc2ccccc2c1N 62a_100000766640_100000087573 [0,2,0,0,0,0|1,1,0]=4 14061 B18R2.2054 CCCC(C)Sc1ncc2ccccc2c1N 62a_100009995564_100000766640 [0,2,0,0,0,0|1,1,0]=4 14062 B18R2.2054 CCCN(C)Cc1ccc2ccccc2c1Br 2230a_100000747261_100009813938 [0,2,0,0,0,0|2,0,0]=4 14063 B18R2.2054 CCCN(C)Cc1ccc2ccccc2c1Br 269982a_100000747261_100009813938 [0,2,0,0,0,0|2,0,0]=4 14064 B18R2.2054 CCCN(C)Cc1ccc2ccccc2c1Br 26a_100000747261_100000183829 [0,2,0,0,0,0|2,0,0]=4 14065 B18R2.2054 CCCN(C)Cc1ccc2ccccc2c1Br 270004a_100000747261_100009813496 [0,2,0,0,0,0|2,0,0]=4 14066 B18R2.2054 COCC(C)Nc1ccc2ccccc2c1Br 34a_100000705303_100000765312 [0,2,0,0,0,0|2,0,0]=4 14067 B18R2.2054 COCC(C)Nc1ccc2ccccc2c1Cl 34a_100000075557_100000765312 [0,2,0,0,0,0|2,0,0]=4 14068 B18R2.2054 COCC(C)Nc1ccc2ccccc2c1O 34a_100000007060_100000765312 [0,2,0,0,0,0|2,0,0]=4 14069 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1Br 34a_100000183829_100000765312 [0,2,0,0,0,0|1,0,0]=3 14070 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1Br 7a_100000183829_100000765312 [0,2,0,0,0,0|1,0,0]=3 14071 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1C 34a_100009830054_100000765312 [0,2,0,0,0,0|1,0,0]=3 14072 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1C 7a_100009830054_100000765312 [0,2,0,0,0,0|1,0,0]=3 14073 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1Cl 34a_100000029778_100000765312 [0,2,0,0,0,0|1,0,0]=3 14074 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1Cl 7a_100000029778_100000765312 [0,2,0,0,0,0|1,0,0]=3 14075 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1I 34a_100000041551_100000765312 [0,2,0,0,0,0|1,0,0]=3 14076 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1I 7a_100000041551_100000765312 [0,2,0,0,0,0|1,0,0]=3 14077 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1N 34a_100000007056_100000765312 [0,2,0,0,0,0|1,0,0]=3 14078 B18R2.2054 COCC(C)Oc1ccc2ccccc2c1N 7a_100000007056_100000765312 [0,2,0,0,0,0|1,0,0]=3 14079 B18R2.2054 COCC(C)Oc1ccc2cccnc2c1Br 34a_100010173343_100000765312 [0,2,0,0,0,0|2,0,0]=4 14080 B18R2.2054 COCC(C)Oc1ccc2cccnc2c1Br 7a_100010173343_100000765312 [0,2,0,0,0,0|2,0,0]=4 14081 B18R2.2054 COCC(C)Oc1ccc2ccncc2c1Br 34a_200010115057_100000765312 [0,2,0,0,0,0|2,0,0]=4 14082 B18R2.2054 COCC(C)Oc1ccc2ccncc2c1Br 7a_200010115057_100000765312 [0,2,0,0,0,0|2,0,0]=4 14083 B18R2.2054 COCC(C)Oc1ccc2cnccc2c1Cl 34a_100009824633_100000765312 [0,2,0,0,0,0|2,0,0]=4 14084 B18R2.2054 COCC(C)Oc1ccc2cnccc2c1Cl 7a_100009824633_100000765312 [0,2,0,0,0,0|2,0,0]=4 14085 B18R2.2054 COCC(C)Sc1ccc2ccccc2c1Br 62a_100000765312_200010089984 [0,2,0,0,0,0|1,1,0]=4 14086 B18R2.2054 COCC(C)Sc1ccc2ccccc2c1Br 62a_200010089984_100000765312 [0,2,0,0,0,0|1,1,0]=4 14087 B18R2.2054 COCC(C)Sc1ccc2ccccc2c1C 62a_100000765312_100010221197 [0,2,0,0,0,0|1,1,0]=4 14088 B18R2.2054 COCC(C)Sc1ccc2ccccc2c1C 62a_100010221197_100000765312 [0,2,0,0,0,0|1,1,0]=4 14089 B18R2.2054 COCC(C)Sc1ccc2ccccc2c1F 62a_100000765312_100009832041 [0,2,0,0,0,0|1,1,0]=4 14090 B18R2.2054 COCC(C)Sc1ccc2ccccc2c1F 62a_100009832041_100000765312 [0,2,0,0,0,0|1,1,0]=4 14091 B18R2.2054 COCC(C)Sc1ccc2ccccc2c1N 62a_100009817101_100000765312 [0,2,0,0,0,0|1,1,0]=4 14092 B18R2.2054 COCC(C)Sc1ccc2ccccc2c1O 62a_100000765312_100009996032 [0,2,0,0,0,0|1,1,0]=4 14093 B18R2.2054 Cc1c(ccc2c1cccc2)OC(C)CC#N 7a_100009830054_100009813641 [0,2,0,0,0,0|1,0,1]=4 14094 B18R2.2054 Cc1c(ccc2c1cccc2)OC(C)CCO 34a_100009830054_100009893172 [0,2,0,0,0,0|1,0,0]=3 14095 B18R2.2054 Cc1c(ccc2c1cccc2)OC(C)CCO 7a_100009830054_100009893172 [0,2,0,0,0,0|1,0,0]=3 14096 B18R2.2054 Cc1c(ccc2c1cccc2)SC(C)CCO 62a_100009893172_100010221197 [0,2,0,0,0,0|1,1,0]=4 14097 B18R2.2054 Cc1c(ccc2c1cccc2)SC(C)CCO 62a_100010221197_100009893172 [0,2,0,0,0,0|1,1,0]=4 14098 B18R2.33945 CCCCC(=O)Cc1cc2ccccc2cn1 1458a_100000210183_100009869231 [0,2,0,0,0,0|2,0,0]=4 14099 B18R2.33945 CCCCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210211 [0,2,0,0,0,0|1,0,0]=3 14100 B18R2.33945 CCCCC(=O)Cc1ccc2ccccc2c1 1458a_100000210183_100011216711 [0,2,0,0,0,0|1,0,0]=3 14101 B18R2.33945 CCCCC(=O)Cc1ccc2ccccc2n1 1458a_100000210183_100000737579 [0,2,0,0,0,0|2,0,0]=4 14102 B18R2.33945 CCCCC(=O)Cc1ccc2cnccc2c1 1458a_100000210183_100020605334 [0,2,0,0,0,0|2,0,0]=4 14103 B18R2.33945 CCCCC(=O)Cc1ccc2ncccc2c1 1458a_100000210183_100000703657 [0,2,0,0,0,0|2,0,0]=4 14104 B18R2.33945 CCCCC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_100000210211 [0,2,0,0,0,0|2,0,0]=4 14105 B18R2.33945 CCCCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210183 [0,2,0,0,0,0|1,0,0]=3 14106 B18R2.33945 CCCCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210183 [0,2,0,0,0,0|1,0,0]=3 14107 B18R2.33945 CCCCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210183 [0,2,0,0,0,0|1,0,0]=3 14108 B18R2.33945 CCCCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210183 [0,2,0,0,0,0|1,0,0]=3 14109 B18R2.33945 CCCCC(=O)Nc1ccc2cccnc2c1 11a_100102887122_100000210183 [0,2,0,0,0,0|2,0,0]=4 14110 B18R2.33945 CCCCC(=O)Nc1ccc2cccnc2c1 1626a_100102887122_100000210183 [0,2,0,0,0,0|2,0,0]=4 14111 B18R2.33945 CCCCC(=O)Nc1ccc2cccnc2c1 22a_100102887122_100000210183 [0,2,0,0,0,0|2,0,0]=4 14112 B18R2.33945 CCCCC(=O)Nc1ccc2cccnc2c1 527a_100102887122_100000210183 [0,2,0,0,0,0|2,0,0]=4 14113 B18R2.33945 CCCCC(=O)Nc1ccc2ccncc2c1 11a_100000069342_100000210183 [0,2,0,0,0,0|2,0,0]=4 14114 B18R2.33945 CCCCC(=O)Nc1ccc2ccncc2c1 1626a_100000069342_100000210183 [0,2,0,0,0,0|2,0,0]=4 14115 B18R2.33945 CCCCC(=O)Nc1ccc2ccncc2c1 22a_100000069342_100000210183 [0,2,0,0,0,0|2,0,0]=4 14116 B18R2.33945 CCCCC(=O)Nc1ccc2ccncc2c1 527a_100000069342_100000210183 [0,2,0,0,0,0|2,0,0]=4 14117 B18R2.33945 CCCCC(=O)Nc1ccc2cnccc2c1 11a_100000039641_100000210183 [0,2,0,0,0,0|2,0,0]=4 14118 B18R2.33945 CCCCC(=O)Nc1ccc2cnccc2c1 1626a_100000039641_100000210183 [0,2,0,0,0,0|2,0,0]=4 14119 B18R2.33945 CCCCC(=O)Nc1ccc2cnccc2c1 22a_100000039641_100000210183 [0,2,0,0,0,0|2,0,0]=4 14120 B18R2.33945 CCCCC(=O)Nc1ccc2cnccc2c1 527a_100000039641_100000210183 [0,2,0,0,0,0|2,0,0]=4 14121 B18R2.33945 CCCCC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100000210183 [0,2,0,0,0,0|2,0,0]=4 14122 B18R2.33945 CCCCC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100000210183 [0,2,0,0,0,0|2,0,0]=4 14123 B18R2.33945 CCCCC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000210183 [0,2,0,0,0,0|2,0,0]=4 14124 B18R2.33945 CCCCC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100000210183 [0,2,0,0,0,0|2,0,0]=4 14125 B18R2.33945 CCCCC(C)Nc1ccc2ccccc2c1 34a_100000211940_200011215066 [0,2,0,0,0,0|1,0,0]=3 14126 B18R2.33945 CCCCC(C)Nc1ccc2ccccc2c1 7a_100000211940_200011215066 [0,2,0,0,0,0|1,0,0]=3 14127 B18R2.33945 CCCCC(C)Nc1ccc2ccccc2n1 27a_100000126638_100011291633 [0,2,0,0,0,0|2,0,0]=4 14128 B18R2.33945 CCCCC(C)Nc1ccc2cccnc2c1 34a_100102887122_200011215066 [0,2,0,0,0,0|2,0,0]=4 14129 B18R2.33945 CCCCC(C)Nc1ccc2cnccc2c1 34a_100000039641_200011215066 [0,2,0,0,0,0|2,0,0]=4 14130 B18R2.33945 CCCCC(C)Nc1ccc2ncccc2c1 34a_100011198106_200011215066 [0,2,0,0,0,0|2,0,0]=4 14131 B18R2.33945 CCCCC(C)Oc1ccc2ccccc2c1 34a_100000185828_200011215066 [0,2,0,0,0,0|0,0,0]=2 14132 B18R2.33945 CCCCC(C)Oc1ccc2ccccc2c1 7a_100000185828_200011215066 [0,2,0,0,0,0|0,0,0]=2 14133 B18R2.33945 CCCCC(C)Oc1ccc2cccnc2c1 34a_100011216045_200011215066 [0,2,0,0,0,0|1,0,0]=3 14134 B18R2.33945 CCCCC(C)Oc1ccc2ccncc2c1 7a_100000752006_200011215066 [0,2,0,0,0,0|1,0,0]=3 14135 B18R2.33945 CCCCC(C)Oc1ccc2cnccc2c1 34a_100000046372_200011215066 [0,2,0,0,0,0|1,0,0]=3 14136 B18R2.33945 CCCCC(C)Oc1ccc2cnccc2c1 7a_100000046372_200011215066 [0,2,0,0,0,0|1,0,0]=3 14137 B18R2.33945 CCCCC(C)Oc1ccc2ncccc2c1 34a_100011215586_200011215066 [0,2,0,0,0,0|1,0,0]=3 14138 B18R2.33945 CCCCC(C)Oc1ccc2ncccc2c1 7a_100011215586_200011215066 [0,2,0,0,0,0|1,0,0]=3 14139 B18R2.33945 CCCCC(C)Oc1ccc2nccnc2c1 34a_100000694412_200011215066 [0,2,0,0,0,0|2,0,0]=4 14140 B18R2.33945 CCCCC(C)Oc1cnc2ccccc2c1 34a_100011934006_200011215066 [0,2,0,0,0,0|1,0,0]=3 14141 B18R2.33945 CCCCC(C)Oc1cnc2ccccc2c1 7a_100011934006_200011215066 [0,2,0,0,0,0|1,0,0]=3 14142 B18R2.33945 CCCCC(C)Sc1cc2ccccc2cn1 62a_100009816522_200011215066 [0,2,0,0,0,0|1,1,0]=4 14143 B18R2.33945 CCCCC(C)Sc1cc2ccccc2cn1 62a_200011215066_100000047361 [0,2,0,0,0,0|1,1,0]=4 14144 B18R2.33945 CCCCC(C)Sc1ccc2ccccc2n1 62a_100011291633_200011215066 [0,2,0,0,0,0|1,1,0]=4 14145 B18R2.33945 CCCCC(C)Sc1ccc2ccccc2n1 62a_200011215066_100011291633 [0,2,0,0,0,0|1,1,0]=4 14146 B18R2.33945 CCCCC(C)Sc1ccc2cccnc2c1 62a_200011215066_100009816655 [0,2,0,0,0,0|1,1,0]=4 14147 B18R2.33945 CCCCC(C)Sc1ccc2ccncc2c1 62a_100000686496_200011215066 [0,2,0,0,0,0|1,1,0]=4 14148 B18R2.33945 CCCCC(C)Sc1ccc2ccncc2c1 62a_200011215066_100000686496 [0,2,0,0,0,0|1,1,0]=4 14149 B18R2.33945 CCCCC(C)Sc1ccc2cnccc2c1 62a_100009816743_200011215066 [0,2,0,0,0,0|1,1,0]=4 14150 B18R2.33945 CCCCC(C)Sc1ccc2cnccc2c1 62a_200011215066_100009816743 [0,2,0,0,0,0|1,1,0]=4 14151 B18R2.33945 CCCCC(C)Sc1ccc2ncccc2c1 62a_100011215947_200011215066 [0,2,0,0,0,0|1,1,0]=4 14152 B18R2.33945 CCCCC(C)Sc1ccc2ncccc2c1 62a_200011215066_100011215947 [0,2,0,0,0,0|1,1,0]=4 14153 B18R2.33945 CCCCC(C)Sc1cnc2ccccc2c1 62a_200011215066_100000737414 [0,2,0,0,0,0|1,1,0]=4 14154 B18R2.33945 CCCCN(C)Cc1cc2ccccc2cn1 2230a_100000207549_100009869231 [0,2,0,0,0,0|2,0,0]=4 14155 B18R2.33945 CCCCN(C)Cc1cc2ccccc2cn1 269982a_100000207549_100009869231 [0,2,0,0,0,0|2,0,0]=4 14156 B18R2.33945 CCCCN(C)Cc1cc2ccccc2cn1 270004a_100000207549_100000059776 [0,2,0,0,0,0|2,0,0]=4 14157 B18R2.33945 CCCCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210211 [0,2,0,0,0,0|1,0,0]=3 14158 B18R2.33945 CCCCN(C)Cc1ccc2ccccc2c1 2230a_100000207549_100011216711 [0,2,0,0,0,0|1,0,0]=3 14159 B18R2.33945 CCCCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000210211 [0,2,0,0,0,0|1,0,0]=3 14160 B18R2.33945 CCCCN(C)Cc1ccc2ccccc2c1 269982a_100000207549_100011216711 [0,2,0,0,0,0|1,0,0]=3 14161 B18R2.33945 CCCCN(C)Cc1ccc2ccccc2c1 270004a_100000207549_100000211584 [0,2,0,0,0,0|1,0,0]=3 14162 B18R2.33945 CCCCN(C)Cc1ccc2ccccc2n1 2230a_100000207549_100000737579 [0,2,0,0,0,0|2,0,0]=4 14163 B18R2.33945 CCCCN(C)Cc1ccc2ccccc2n1 270004a_100000207549_100000759686 [0,2,0,0,0,0|2,0,0]=4 14164 B18R2.33945 CCCCN(C)Cc1ccc2cccnc2c1 270004a_100000207549_100011784159 [0,2,0,0,0,0|2,0,0]=4 14165 B18R2.33945 CCCCN(C)Cc1ccc2cnccc2c1 2230a_100000207549_100020605334 [0,2,0,0,0,0|2,0,0]=4 14166 B18R2.33945 CCCCN(C)Cc1ccc2cnccc2c1 269982a_100000207549_100020605334 [0,2,0,0,0,0|2,0,0]=4 14167 B18R2.33945 CCCCN(C)Cc1ccc2cnccc2c1 270004a_100000207549_100000068276 [0,2,0,0,0,0|2,0,0]=4 14168 B18R2.33945 CCCCN(C)Cc1ccc2ncccc2c1 2230a_100000207549_100000703657 [0,2,0,0,0,0|2,0,0]=4 14169 B18R2.33945 CCCCN(C)Cc1ccc2ncccc2c1 2230a_100000207558_100000210211 [0,2,0,0,0,0|2,0,0]=4 14170 B18R2.33945 CCCCN(C)Cc1ccc2ncccc2c1 269982a_100000207549_100000703657 [0,2,0,0,0,0|2,0,0]=4 14171 B18R2.33945 CCCCN(C)Cc1ccc2ncccc2c1 269982a_100000207558_100000210211 [0,2,0,0,0,0|2,0,0]=4 14172 B18R2.33945 CCCCN(C)Cc1ccc2ncccc2c1 270004a_100000207549_100000211315 [0,2,0,0,0,0|2,0,0]=4 14173 B18R2.33945 CCCCN(C)Cc1cnc2ccccc2c1 2230a_100011875994_100000210211 [0,2,0,0,0,0|2,0,0]=4 14174 B18R2.33945 CCCCN(C)Cc1cnc2ccccc2c1 269982a_100011875994_100000210211 [0,2,0,0,0,0|2,0,0]=4 14175 B18R2.33945 CCCCN(C)Cc1cnc2ccccc2c1 270004a_100000207549_100000750898 [0,2,0,0,0,0|2,0,0]=4 14176 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 11a_100020643023_100000181716 [0,2,0,0,0,0|1,0,1]=4 14177 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 1626a_100020643023_100000181716 [0,2,0,0,0,0|1,0,1]=4 14178 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 240690a_100020643023_100000181716 [0,2,0,0,0,0|1,0,1]=4 14179 B18R2.33945 CCCNC(=O)Cc1ccc2ccccc2c1 527a_100020643023_100000181716 [0,2,0,0,0,0|1,0,1]=4 14180 B18R2.33945 CCCNC(=O)Nc1ccc2ccccc2c1 2430a_100000211940_100020643023 [0,2,0,0,0,0|1,0,1]=4 14181 B18R2.33945 CCCNC(C)Cc1ccc2ccccc2n1 270004a_100020643023_100011245913 [0,2,0,0,0,0|2,0,0]=4 14182 B18R2.33945 CCNCC(=O)Nc1ccc2ccccc2c1 2230a_100015525214_200000182969 [0,2,0,0,0,0|1,0,1]=4 14183 B18R2.33945 CCNCC(=O)Nc1ccc2ccccc2c1 2230a_200000168428_100000210202 [0,2,0,0,0,0|1,0,1]=4 14184 B18R2.33945 CCOCC(=O)Cc1ccc2ccccc2c1 1458a_100000211967_100011216711 [0,2,0,0,0,0|1,0,1]=4 14185 B18R2.33945 CCOCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000211967 [0,2,0,0,0,0|1,0,1]=4 14186 B18R2.33945 CCOCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000211967 [0,2,0,0,0,0|1,0,1]=4 14187 B18R2.33945 CCOCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000211967 [0,2,0,0,0,0|1,0,1]=4 14188 B18R2.33945 CCOCC(=O)Nc1ccc2ccccc2c1 34a_100121572206_200000182969 [0,2,0,0,0,0|1,0,1]=4 14189 B18R2.33945 CCOCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000211967 [0,2,0,0,0,0|1,0,1]=4 14190 B18R2.33945 CCOCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000739092 [0,2,0,0,0,0|2,0,0]=4 14191 B18R2.33945 CCSCC(=O)Cc1ccc2ccccc2c1 1458a_100000230394_100011216711 [0,2,0,0,0,0|1,0,1]=4 14192 B18R2.33945 CCSCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000230394 [0,2,0,0,0,0|1,0,1]=4 14193 B18R2.33945 CCSCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000230394 [0,2,0,0,0,0|1,0,1]=4 14194 B18R2.33945 CCSCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000230394 [0,2,0,0,0,0|1,0,1]=4 14195 B18R2.33945 CCSCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000230394 [0,2,0,0,0,0|1,0,1]=4 14196 B18R2.33945 CCSCC(=O)Nc1ccc2ccccc2c1 62a_100000210202_200000182969 [0,2,0,0,0,0|1,0,1]=4 14197 B18R2.33945 CN(CCCF)Cc1ccc2ccccc2c1 2230a_100000185194_100011934791 [0,2,0,0,0,0|2,0,0]=4 14198 B18R2.33945 CN(CCCF)Cc1ccc2ccccc2c1 269982a_100000185194_100011934791 [0,2,0,0,0,0|2,0,0]=4 14199 B18R2.33945 CN(CCCO)Cc1ccc2ccccc2c1 2230a_100000185194_100000230001 [0,2,0,0,0,0|2,0,0]=4 14200 B18R2.33945 CN(CCCO)Cc1ccc2ccccc2c1 2230a_100000213112_100011216711 [0,2,0,0,0,0|2,0,0]=4 14201 B18R2.33945 CN(CCCO)Cc1ccc2ccccc2c1 269982a_100000185194_100011215043 [0,2,0,0,0,0|2,0,0]=4 14202 B18R2.33945 CN(CCCO)Cc1ccc2ccccc2c1 269982a_100000213112_100011216711 [0,2,0,0,0,0|2,0,0]=4 14203 B18R2.33945 CN(CCCO)Cc1ccc2ccccc2c1 270004a_100000213112_100000211584 [0,2,0,0,0,0|2,0,0]=4 14204 B18R2.33945 COCCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000233755 [0,2,0,0,0,0|1,0,1]=4 14205 B18R2.33945 COCCC(=O)Cc1ccc2ccccc2c1 1458a_100000749529_100011216711 [0,2,0,0,0,0|1,0,1]=4 14206 B18R2.33945 COCCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000749529 [0,2,0,0,0,0|1,0,1]=4 14207 B18R2.33945 COCCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000749529 [0,2,0,0,0,0|1,0,1]=4 14208 B18R2.33945 COCCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000749529 [0,2,0,0,0,0|1,0,1]=4 14209 B18R2.33945 COCCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000749529 [0,2,0,0,0,0|1,0,1]=4 14210 B18R2.33945 COCCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100011201679 [0,2,0,0,0,0|2,0,0]=4 14211 B18R2.33945 COCCN(C)Cc1ccc2ccccc2c1 2230a_100000743101_100011216711 [0,2,0,0,0,0|2,0,0]=4 14212 B18R2.33945 COCCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000233755 [0,2,0,0,0,0|2,0,0]=4 14213 B18R2.33945 COCCN(C)Cc1ccc2ccccc2c1 269982a_100000743101_100011216711 [0,2,0,0,0,0|2,0,0]=4 14214 B18R2.33945 COCCN(C)Cc1ccc2ccccc2c1 270004a_100000743101_100000211584 [0,2,0,0,0,0|2,0,0]=4 14215 B18R2.33945 CSCCC(=O)Cc1ccc2ccccc2c1 1458a_100000174002_100011216711 [0,2,0,0,0,0|1,0,1]=4 14216 B18R2.33945 CSCCC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000751147 [0,2,0,0,0,0|1,0,1]=4 14217 B18R2.33945 CSCCC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000174002 [0,2,0,0,0,0|1,0,1]=4 14218 B18R2.33945 CSCCC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000174002 [0,2,0,0,0,0|1,0,1]=4 14219 B18R2.33945 CSCCC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000174002 [0,2,0,0,0,0|1,0,1]=4 14220 B18R2.33945 CSCCC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000174002 [0,2,0,0,0,0|1,0,1]=4 14221 B18R2.33945 CSCCN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000751147 [0,2,0,0,0,0|2,0,0]=4 14222 B18R2.33945 CSCCN(C)Cc1ccc2ccccc2c1 2230a_100000686725_100011216711 [0,2,0,0,0,0|2,0,0]=4 14223 B18R2.33945 CSCCN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000212216 [0,2,0,0,0,0|2,0,0]=4 14224 B18R2.33945 CSCCN(C)Cc1ccc2ccccc2c1 269982a_100000686725_100011216711 [0,2,0,0,0,0|2,0,0]=4 14225 B18R2.33945 CSCCN(C)Cc1ccc2ccccc2c1 270004a_100000686725_100000211584 [0,2,0,0,0,0|2,0,0]=4 14226 B18R2.33945 O=C(CCCF)Cc1ccc2ccccc2c1 1458a_100000181716_100011934791 [0,2,0,0,0,0|1,0,1]=4 14227 B18R2.33945 O=C(CCCO)Cc1ccc2ccccc2c1 1458a_100000181716_100011215043 [0,2,0,0,0,0|1,0,1]=4 14228 B18R2.71948 CC(C)CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100000210624 [0,2,0,0,0,0|1,0,1]=4 14229 B18R2.71948 CC(C)CC(=O)Cc1ccc2ccccc2c1 1458a_100000210554_100011216711 [0,2,0,0,0,0|1,0,1]=4 14230 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100000210554 [0,2,0,0,0,0|1,0,1]=4 14231 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100000210554 [0,2,0,0,0,0|1,0,1]=4 14232 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000210554 [0,2,0,0,0,0|1,0,1]=4 14233 B18R2.71948 CC(C)CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100000210554 [0,2,0,0,0,0|1,0,1]=4 14234 B18R2.71948 CC(C)CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000731052 [0,2,0,0,0,0|1,0,0]=3 14235 B18R2.71948 CC(C)CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000731052 [0,2,0,0,0,0|1,0,0]=3 14236 B18R2.71948 CC(C)CC(C)Nc1ccc2ccccc2n1 27a_100000692259_100011291633 [0,2,0,0,0,0|2,0,0]=4 14237 B18R2.71948 CC(C)CC(C)Nc1ccc2cccnc2c1 34a_100102887122_100000731052 [0,2,0,0,0,0|2,0,0]=4 14238 B18R2.71948 CC(C)CC(C)Nc1ccc2cnccc2c1 34a_100000039641_100000731052 [0,2,0,0,0,0|2,0,0]=4 14239 B18R2.71948 CC(C)CC(C)Nc1ccc2ncccc2c1 34a_100011198106_100000731052 [0,2,0,0,0,0|2,0,0]=4 14240 B18R2.71948 CC(C)CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000731052 [0,2,0,0,0,0|0,0,0]=2 14241 B18R2.71948 CC(C)CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000731052 [0,2,0,0,0,0|0,0,0]=2 14242 B18R2.71948 CC(C)CC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000731052 [0,2,0,0,0,0|1,0,0]=3 14243 B18R2.71948 CC(C)CC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000731052 [0,2,0,0,0,0|1,0,0]=3 14244 B18R2.71948 CC(C)CC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000731052 [0,2,0,0,0,0|1,0,0]=3 14245 B18R2.71948 CC(C)CC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000731052 [0,2,0,0,0,0|1,0,0]=3 14246 B18R2.71948 CC(C)CC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000731052 [0,2,0,0,0,0|1,0,0]=3 14247 B18R2.71948 CC(C)CC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000731052 [0,2,0,0,0,0|1,0,0]=3 14248 B18R2.71948 CC(C)CC(C)Oc1ccc2nccnc2c1 34a_100000694412_100000731052 [0,2,0,0,0,0|2,0,0]=4 14249 B18R2.71948 CC(C)CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000731052 [0,2,0,0,0,0|1,0,0]=3 14250 B18R2.71948 CC(C)CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000731052 [0,2,0,0,0,0|1,0,0]=3 14251 B18R2.71948 CC(C)CC(C)Sc1cc2ccccc2cn1 62a_100000731052_100000047361 [0,2,0,0,0,0|1,1,0]=4 14252 B18R2.71948 CC(C)CC(C)Sc1cc2ccccc2cn1 62a_100009816522_100000731052 [0,2,0,0,0,0|1,1,0]=4 14253 B18R2.71948 CC(C)CC(C)Sc1ccc2ccccc2n1 62a_100000731052_100011291633 [0,2,0,0,0,0|1,1,0]=4 14254 B18R2.71948 CC(C)CC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000731052 [0,2,0,0,0,0|1,1,0]=4 14255 B18R2.71948 CC(C)CC(C)Sc1ccc2cccnc2c1 62a_100000731052_100009816655 [0,2,0,0,0,0|1,1,0]=4 14256 B18R2.71948 CC(C)CC(C)Sc1ccc2ccncc2c1 62a_100000686496_100000731052 [0,2,0,0,0,0|1,1,0]=4 14257 B18R2.71948 CC(C)CC(C)Sc1ccc2ccncc2c1 62a_100000731052_100000686496 [0,2,0,0,0,0|1,1,0]=4 14258 B18R2.71948 CC(C)CC(C)Sc1ccc2cnccc2c1 62a_100000731052_100009816743 [0,2,0,0,0,0|1,1,0]=4 14259 B18R2.71948 CC(C)CC(C)Sc1ccc2cnccc2c1 62a_100009816743_100000731052 [0,2,0,0,0,0|1,1,0]=4 14260 B18R2.71948 CC(C)CC(C)Sc1ccc2ncccc2c1 62a_100000731052_100011215947 [0,2,0,0,0,0|1,1,0]=4 14261 B18R2.71948 CC(C)CC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000731052 [0,2,0,0,0,0|1,1,0]=4 14262 B18R2.71948 CC(C)CC(C)Sc1cnc2ccccc2c1 62a_100000731052_100000737414 [0,2,0,0,0,0|1,1,0]=4 14263 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100000210760 [0,2,0,0,0,0|2,0,0]=4 14264 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 2230a_100000747067_100011216711 [0,2,0,0,0,0|2,0,0]=4 14265 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100000210624 [0,2,0,0,0,0|2,0,0]=4 14266 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 269982a_100000747067_100011216711 [0,2,0,0,0,0|2,0,0]=4 14267 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 270004a_100000185194_100000210432 [0,2,0,0,0,0|2,0,0]=4 14268 B18R2.71948 CC(C)CN(C)Cc1ccc2ccccc2c1 270004a_100000747067_100000211584 [0,2,0,0,0,0|2,0,0]=4 14269 B18R2.71948 CC(CN(C)C)Sc1ccc2ccccc2c1 62a_100020606517_100000233703 [0,2,0,0,0,0|1,1,0]=4 14270 B18R2.71948 CC(O)CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_100011218427 [0,2,0,0,0,0|1,0,1]=4 14271 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100011218427 [0,2,0,0,0,0|2,0,0]=4 14272 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 2230a_100000227577_100011216711 [0,2,0,0,0,0|2,0,0]=4 14273 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100011218427 [0,2,0,0,0,0|2,0,0]=4 14274 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 269982a_100000227577_100011216711 [0,2,0,0,0,0|2,0,0]=4 14275 B18R2.71948 CC(O)CN(C)Cc1ccc2ccccc2c1 270004a_100000227577_100000211584 [0,2,0,0,0,0|2,0,0]=4 14276 B18R2.71948 C[C@@H](O)CC(=O)Cc1ccc2ccccc2c1 1458a_100011933948_100011216711 [0,2,0,0,0,0|1,0,1]=4 14277 B18R2.71948 C[C@@H](O)CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100011933948 [0,2,0,0,0,0|1,0,1]=4 14278 B18R2.71948 C[C@@H](O)CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_100009817552 [0,2,0,0,0,0|2,0,0]=4 14279 B18R2.71948 C[C@@H](O)CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_100009817552 [0,2,0,0,0,0|2,0,0]=4 14280 B18R2.124646 CC(CC#N)Oc1ccc2cc(ccc2c1)Br 7a_100000185455_100009813641 [0,2,0,0,0,0|1,0,1]=4 14281 B18R2.124646 CC(CC#N)Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_100009813641 [0,2,0,0,0,0|1,0,1]=4 14282 B18R2.124646 CC(CC#N)Oc1ccc2cc(ccc2c1)F 7a_100009847029_100009813641 [0,2,0,0,0,0|1,0,1]=4 14283 B18R2.124646 CC(CCO)Nc1ccc2cc(ccc2c1)Br 34a_100000185457_100009893172 [0,2,0,0,0,0|2,0,0]=4 14284 B18R2.124646 CC(CCO)Nc1ccc2cc(ccc2c1)Br 7a_100000185457_100009893172 [0,2,0,0,0,0|2,0,0]=4 14285 B18R2.124646 CC(CCO)Oc1ccc2cc(ccc2c1)Br 34a_100000185455_100009893172 [0,2,0,0,0,0|1,0,0]=3 14286 B18R2.124646 CC(CCO)Oc1ccc2cc(ccc2c1)Br 7a_100000185455_100009893172 [0,2,0,0,0,0|1,0,0]=3 14287 B18R2.124646 CC(CCO)Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009893172 [0,2,0,0,0,0|1,0,0]=3 14288 B18R2.124646 CC(CCO)Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_100009893172 [0,2,0,0,0,0|1,0,0]=3 14289 B18R2.124646 CC(CCO)Oc1ccc2cc(ccc2c1)F 34a_100009847029_100009893172 [0,2,0,0,0,0|1,0,0]=3 14290 B18R2.124646 CC(CCO)Oc1ccc2cc(ccc2c1)F 7a_100009847029_100009893172 [0,2,0,0,0,0|1,0,0]=3 14291 B18R2.124646 CC(CCO)Oc1ccc2cc(cnc2c1)Br 34a_200010153753_100009893172 [0,2,0,0,0,0|2,0,0]=4 14292 B18R2.124646 CC(CCO)Oc1ccc2cc(cnc2c1)Br 7a_200010153753_100009893172 [0,2,0,0,0,0|2,0,0]=4 14293 B18R2.124646 CC(CCO)Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_100009893172 [0,2,0,0,0,0|2,0,0]=4 14294 B18R2.124646 CC(CCO)Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_100009893172 [0,2,0,0,0,0|2,0,0]=4 14295 B18R2.124646 CC(CCO)Oc1ccc2oc(=O)ccc2c1 34a_100000066265_100009893172 [0,2,0,0,0,0|2,0,0]=4 14296 B18R2.124646 CC(CCO)Oc1ccc2oc(=O)ccc2c1 7a_100000066265_100009893172 [0,2,0,0,0,0|2,0,0]=4 14297 B18R2.124646 CC(CCO)Oc1cnc2cc(ccc2c1)F 34a_100012184162_100009893172 [0,2,0,0,0,0|2,0,0]=4 14298 B18R2.124646 CC(CCO)Oc1cnc2cc(ccc2c1)F 7a_100012184162_100009893172 [0,2,0,0,0,0|2,0,0]=4 14299 B18R2.124646 CC(CCO)Sc1ccc2cc(ccc2c1)Br 62a_100009893172_100012344972 [0,2,0,0,0,0|1,1,0]=4 14300 B18R2.124646 CC(CCO)Sc1ccc2cc(ccc2c1)Br 62a_100012344972_100009893172 [0,2,0,0,0,0|1,1,0]=4 14301 B18R2.124646 CC(CCO)Sc1ccc2cc(ccc2c1)F 62a_100009817052_100009893172 [0,2,0,0,0,0|1,1,0]=4 14302 B18R2.124646 CC(CCO)Sc1ccc2cc(ccc2c1)F 62a_100009893172_100009817052 [0,2,0,0,0,0|1,1,0]=4 14303 B18R2.124646 CC(CCO)Sc1ccc2cc(ccc2c1)N 62a_100000185457_100009893172 [0,2,0,0,0,0|1,1,0]=4 14304 B18R2.124646 CC(CCO)Sc1ccc2cc(ccc2c1)N 62a_100009893172_100000185457 [0,2,0,0,0,0|1,1,0]=4 14305 B18R2.124646 CC(CCO)Sc1ccc2cc(ccc2c1)O 62a_100009893172_100000185455 [0,2,0,0,0,0|1,1,0]=4 14306 B18R2.124646 CCCC(=O)Cc1ccc2cc(ccc2c1)Br 1458a_100000211992_100012356510 [0,2,0,0,0,0|1,0,1]=4 14307 B18R2.124646 CCCC(=O)Nc1ccc2cc(ccc2c1)Br 11a_100000185457_100000211992 [0,2,0,0,0,0|1,0,1]=4 14308 B18R2.124646 CCCC(=O)Nc1ccc2cc(ccc2c1)Br 1626a_100000185457_100000211992 [0,2,0,0,0,0|1,0,1]=4 14309 B18R2.124646 CCCC(=O)Nc1ccc2cc(ccc2c1)Br 22a_100000185457_100000211992 [0,2,0,0,0,0|1,0,1]=4 14310 B18R2.124646 CCCC(=O)Nc1ccc2cc(ccc2c1)Br 527a_100000185457_100000211992 [0,2,0,0,0,0|1,0,1]=4 14311 B18R2.124646 CCCC(C)Nc1ccc2cc(ccc2n1)C 27a_100000741246_100011865911 [0,2,0,0,0,0|2,0,0]=4 14312 B18R2.124646 CCCC(C)Nc1ccc2cc(ccc2n1)F 27a_100000741246_100011998705 [0,2,0,0,0,0|2,0,0]=4 14313 B18R2.124646 CCCC(C)Nc1ccc2cc(cnc2c1)Br 27a_100000741246_200015509644 [0,2,0,0,0,0|2,0,0]=4 14314 B18R2.124646 CCCC(C)Nc1ccc2cc(cnc2c1)Br 34a_200010264087_100000766640 [0,2,0,0,0,0|2,0,0]=4 14315 B18R2.124646 CCCC(C)Nc1ccc2nc(ccc2c1)C 34a_100011216442_100000766640 [0,2,0,0,0,0|2,0,0]=4 14316 B18R2.124646 CCCC(C)Nc1ccc2oc(=O)ccc2c1 7a_100000008519_100000766640 [0,2,0,0,0,0|2,0,0]=4 14317 B18R2.124646 CCCC(C)Oc1ccc2cc(ccc2c1)C 34a_100000074090_100000766640 [0,2,0,0,0,0|0,0,0]=2 14318 B18R2.124646 CCCC(C)Oc1ccc2cc(ccc2c1)C 7a_100000074090_100000766640 [0,2,0,0,0,0|0,0,0]=2 14319 B18R2.124646 CCCC(C)Oc1ccc2cc(ccc2c1)F 34a_100009847029_100000766640 [0,2,0,0,0,0|0,0,0]=2 14320 B18R2.124646 CCCC(C)Oc1ccc2cc(ccc2c1)F 7a_100009847029_100000766640 [0,2,0,0,0,0|0,0,0]=2 14321 B18R2.124646 CCCC(C)Oc1ccc2cc(cnc2c1)Br 34a_200010153753_100000766640 [0,2,0,0,0,0|1,0,0]=3 14322 B18R2.124646 CCCC(C)Oc1ccc2cc(cnc2c1)Br 7a_200010153753_100000766640 [0,2,0,0,0,0|1,0,0]=3 14323 B18R2.124646 CCCC(C)Oc1ccc2nc(ccc2c1)C 34a_100000037634_100000766640 [0,2,0,0,0,0|1,0,0]=3 14324 B18R2.124646 CCCC(C)Oc1ccc2nc(ccc2c1)C 7a_100000037634_100000766640 [0,2,0,0,0,0|1,0,0]=3 14325 B18R2.124646 CCCC(C)Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000766640 [0,2,0,0,0,0|1,0,0]=3 14326 B18R2.124646 CCCC(C)Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000766640 [0,2,0,0,0,0|1,0,0]=3 14327 B18R2.124646 CCCC(C)Oc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000766640 [0,2,0,0,0,0|2,0,0]=4 14328 B18R2.124646 CCCC(C)Oc1ccc2oc(=O)ccc2c1 34a_100000066265_100000766640 [0,2,0,0,0,0|1,0,0]=3 14329 B18R2.124646 CCCC(C)Oc1ccc2oc(=O)ccc2c1 7a_100000066265_100000766640 [0,2,0,0,0,0|1,0,0]=3 14330 B18R2.124646 CCCC(C)Oc1cnc2cc(ccc2c1)F 34a_100012184162_100000766640 [0,2,0,0,0,0|1,0,0]=3 14331 B18R2.124646 CCCC(C)Oc1cnc2cc(ccc2c1)F 7a_100012184162_100000766640 [0,2,0,0,0,0|1,0,0]=3 14332 B18R2.124646 CCCC(C)Sc1ccc2[nH]c(=O)ccc2c1 62a_100000766640_100011934725 [0,2,0,0,0,0|1,1,0]=4 14333 B18R2.124646 CCCC(C)Sc1ccc2c[n+](ccc2c1)C 62a_100000766640_100015191232 [0,2,0,0,0,0|1,1,0]=4 14334 B18R2.124646 CCCC(C)Sc1ccc2cc(ccc2c1)N 62a_100000185457_100000766640 [0,2,0,0,0,0|0,1,0]=3 14335 B18R2.124646 CCCC(C)Sc1ccc2cc(ccc2c1)N 62a_100000766640_100000185457 [0,2,0,0,0,0|0,1,0]=3 14336 B18R2.124646 CCCC(C)Sc1ccc2cc(ccc2c1)O 62a_100000766640_100000185455 [0,2,0,0,0,0|0,1,0]=3 14337 B18R2.124646 CCCC(C)Sc1ccc2cc(ccc2n1)C 62a_100000766640_100011865911 [0,2,0,0,0,0|1,1,0]=4 14338 B18R2.124646 CCCC(C)Sc1ccc2cc(ccc2n1)C 62a_200000181977_100000766640 [0,2,0,0,0,0|1,1,0]=4 14339 B18R2.124646 CCCC(C)Sc1ccc2cc(ccc2n1)F 62a_100000766640_100011998705 [0,2,0,0,0,0|1,1,0]=4 14340 B18R2.124646 CCCC(C)Sc1ccc2cc(ccc2n1)F 62a_200012355665_100000766640 [0,2,0,0,0,0|1,1,0]=4 14341 B18R2.124646 CCCC(C)Sc1ccc2cc(ccc2n1)O 62a_100000766640_100009849208 [0,2,0,0,0,0|1,1,0]=4 14342 B18R2.124646 CCCC(C)Sc1ccc2cc(cnc2c1)C 62a_100000766640_100010751441 [0,2,0,0,0,0|1,1,0]=4 14343 B18R2.124646 CCCC(C)Sc1ccc2cc(cnc2c1)F 62a_100000766640_100010751466 [0,2,0,0,0,0|1,1,0]=4 14344 B18R2.124646 CCCC(C)Sc1ccc2cc(cnc2c1)F 62a_100010751466_100000766640 [0,2,0,0,0,0|1,1,0]=4 14345 B18R2.124646 CCCC(C)Sc1ccc2cc(cnc2c1)N 62a_100000766640_100010142226 [0,2,0,0,0,0|1,1,0]=4 14346 B18R2.124646 CCCC(C)Sc1ccc2cc(cnc2c1)N 62a_100010142226_100000766640 [0,2,0,0,0,0|1,1,0]=4 14347 B18R2.124646 CCCC(C)Sc1ccc2cc(ncc2c1)N 62a_100000766640_100010232990 [0,2,0,0,0,0|1,1,0]=4 14348 B18R2.124646 CCCC(C)Sc1ccc2cc(ncc2c1)N 62a_100010232990_100000766640 [0,2,0,0,0,0|1,1,0]=4 14349 B18R2.124646 CCCC(C)Sc1ccc2nc(ccc2c1)C 62a_100000686635_100000766640 [0,2,0,0,0,0|1,1,0]=4 14350 B18R2.124646 CCCC(C)Sc1ccc2nc(ccc2c1)C 62a_100000766640_100000686635 [0,2,0,0,0,0|1,1,0]=4 14351 B18R2.124646 CCCC(C)Sc1ccc2nc(ccc2c1)N 62a_100011934619_100000766640 [0,2,0,0,0,0|1,1,0]=4 14352 B18R2.124646 CCCC(C)Sc1ccc2oc(=O)ccc2c1 62a_100000766640_100009999946 [0,2,0,0,0,0|1,1,0]=4 14353 B18R2.124646 CCCC(C)Sc1cnc2cc(ccc2c1)N 62a_100000766640_200010264087 [0,2,0,0,0,0|1,1,0]=4 14354 B18R2.124646 CCCC(C)Sc1cnc2cc(ccc2c1)N 62a_200010264087_100000766640 [0,2,0,0,0,0|1,1,0]=4 14355 B18R2.124646 CCCC(C)Sc1cnc2cc(ccc2c1)O 62a_100000766640_200010153753 [0,2,0,0,0,0|1,1,0]=4 14356 B18R2.124646 CCCN(C)Cc1ccc2cc(ccc2c1)Br 2230a_100000747261_100012356510 [0,2,0,0,0,0|2,0,0]=4 14357 B18R2.124646 CCCN(C)Cc1ccc2cc(ccc2c1)Br 269982a_100000747261_100012356510 [0,2,0,0,0,0|2,0,0]=4 14358 B18R2.124646 CCCN(C)Cc1ccc2cc(ccc2c1)Br 26a_100000747261_100000185455 [0,2,0,0,0,0|2,0,0]=4 14359 B18R2.124646 CCCN(C)Cc1ccc2cc(ccc2c1)Br 270004a_100000747261_100012356508 [0,2,0,0,0,0|2,0,0]=4 14360 B18R2.124646 CCCN(C)Cc1ccc2cc(ccc2c1)O 270004a_100000747261_100000067190 [0,2,0,0,0,0|2,0,0]=4 14361 B18R2.124646 CCOC(C)Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100020605378 [0,2,0,0,0,0|1,0,0]=3 14362 B18R2.124646 COCC(C)Nc1ccc2cc(ccc2c1)Br 34a_100000185457_100000765312 [0,2,0,0,0,0|2,0,0]=4 14363 B18R2.124646 COCC(C)Nc1ccc2cc(ccc2c1)Br 7a_100000185457_100000765312 [0,2,0,0,0,0|2,0,0]=4 14364 B18R2.124646 COCC(C)Oc1ccc2cc(ccc2c1)Br 34a_100000185455_100000765312 [0,2,0,0,0,0|1,0,0]=3 14365 B18R2.124646 COCC(C)Oc1ccc2cc(ccc2c1)Br 7a_100000185455_100000765312 [0,2,0,0,0,0|1,0,0]=3 14366 B18R2.124646 COCC(C)Oc1ccc2cc(ccc2c1)C 34a_100000074090_100000765312 [0,2,0,0,0,0|1,0,0]=3 14367 B18R2.124646 COCC(C)Oc1ccc2cc(ccc2c1)C 7a_100000074090_100000765312 [0,2,0,0,0,0|1,0,0]=3 14368 B18R2.124646 COCC(C)Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000765312 [0,2,0,0,0,0|1,0,0]=3 14369 B18R2.124646 COCC(C)Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000765312 [0,2,0,0,0,0|1,0,0]=3 14370 B18R2.124646 COCC(C)Oc1ccc2cc(ccc2c1)F 34a_100009847029_100000765312 [0,2,0,0,0,0|1,0,0]=3 14371 B18R2.124646 COCC(C)Oc1ccc2cc(ccc2c1)F 7a_100009847029_100000765312 [0,2,0,0,0,0|1,0,0]=3 14372 B18R2.124646 COCC(C)Oc1ccc2cc(cnc2c1)Br 34a_200010153753_100000765312 [0,2,0,0,0,0|2,0,0]=4 14373 B18R2.124646 COCC(C)Oc1ccc2cc(cnc2c1)Br 7a_200010153753_100000765312 [0,2,0,0,0,0|2,0,0]=4 14374 B18R2.124646 COCC(C)Oc1ccc2nc(ccc2c1)C 34a_100000037634_100000765312 [0,2,0,0,0,0|2,0,0]=4 14375 B18R2.124646 COCC(C)Oc1ccc2nc(ccc2c1)C 7a_100000037634_100000765312 [0,2,0,0,0,0|2,0,0]=4 14376 B18R2.124646 COCC(C)Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000765312 [0,2,0,0,0,0|2,0,0]=4 14377 B18R2.124646 COCC(C)Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000765312 [0,2,0,0,0,0|2,0,0]=4 14378 B18R2.124646 COCC(C)Oc1ccc2oc(=O)ccc2c1 34a_100000066265_100000765312 [0,2,0,0,0,0|2,0,0]=4 14379 B18R2.124646 COCC(C)Oc1ccc2oc(=O)ccc2c1 7a_100000066265_100000765312 [0,2,0,0,0,0|2,0,0]=4 14380 B18R2.124646 COCC(C)Oc1cnc2cc(ccc2c1)F 34a_100012184162_100000765312 [0,2,0,0,0,0|2,0,0]=4 14381 B18R2.124646 COCC(C)Oc1cnc2cc(ccc2c1)F 7a_100012184162_100000765312 [0,2,0,0,0,0|2,0,0]=4 14382 B18R2.124646 COCC(C)Sc1ccc2cc(ccc2c1)Br 62a_100000765312_100012344972 [0,2,0,0,0,0|1,1,0]=4 14383 B18R2.124646 COCC(C)Sc1ccc2cc(ccc2c1)Br 62a_100012344972_100000765312 [0,2,0,0,0,0|1,1,0]=4 14384 B18R2.124646 COCC(C)Sc1ccc2cc(ccc2c1)F 62a_100000765312_100009817052 [0,2,0,0,0,0|1,1,0]=4 14385 B18R2.124646 COCC(C)Sc1ccc2cc(ccc2c1)F 62a_100009817052_100000765312 [0,2,0,0,0,0|1,1,0]=4 14386 B18R2.124646 COCC(C)Sc1ccc2cc(ccc2c1)N 62a_100000185457_100000765312 [0,2,0,0,0,0|1,1,0]=4 14387 B18R2.124646 COCC(C)Sc1ccc2cc(ccc2c1)N 62a_100000765312_100000185457 [0,2,0,0,0,0|1,1,0]=4 14388 B18R2.124646 COCC(C)Sc1ccc2cc(ccc2c1)O 62a_100000765312_100000185455 [0,2,0,0,0,0|1,1,0]=4 14389 B18R2.124646 Cc1ccc2cc(ccc2c1)OC(C)CC#N 7a_100000074090_100009813641 [0,2,0,0,0,0|1,0,1]=4 14390 B18R2.124646 Cc1ccc2cc(ccc2c1)OC(C)CCO 34a_100000074090_100009893172 [0,2,0,0,0,0|1,0,0]=3 14391 B18R2.124646 Cc1ccc2cc(ccc2c1)OC(C)CCO 7a_100000074090_100009893172 [0,2,0,0,0,0|1,0,0]=3 14392 B18R2.124646 Cc1ccc2cc(ccc2n1)OC(C)CCO 34a_100000037634_100009893172 [0,2,0,0,0,0|2,0,0]=4 14393 B18R2.124646 Cc1ccc2cc(ccc2n1)OC(C)CCO 7a_100000037634_100009893172 [0,2,0,0,0,0|2,0,0]=4 14394 B18R2.124731 CC(CC#N)Oc1cc(c2ccccc2c1)Br 7a_100010001680_100009813641 [0,2,0,0,0,0|1,0,1]=4 14395 B18R2.124731 CC(CCO)Nc1cc(c2ccccc2c1)Br 34a_100010089974_100009893172 [0,2,0,0,0,0|2,0,0]=4 14396 B18R2.124731 CC(CCO)Nc1cc(c2ccccc2c1)Br 7a_100010089974_100009893172 [0,2,0,0,0,0|2,0,0]=4 14397 B18R2.124731 CC(CCO)Oc1cc(c2ccccc2c1)Br 34a_100010001680_100009893172 [0,2,0,0,0,0|1,0,0]=3 14398 B18R2.124731 CC(CCO)Oc1cc(c2ccccc2c1)Br 7a_100010001680_100009893172 [0,2,0,0,0,0|1,0,0]=3 14399 B18R2.124731 CC(CCO)Oc1cc(c2cnccc2c1)Br 34a_100011009069_100009893172 [0,2,0,0,0,0|2,0,0]=4 14400 B18R2.124731 CC(CCO)Oc1cc(c2cnccc2c1)Br 7a_100011009069_100009893172 [0,2,0,0,0,0|2,0,0]=4 14401 B18R2.124731 CC(CCO)Oc1cc(c2ncccc2c1)Cl 34a_100000097192_100009893172 [0,2,0,0,0,0|2,0,0]=4 14402 B18R2.124731 CC(CCO)Oc1cc(c2ncccc2c1)Cl 7a_100000097192_100009893172 [0,2,0,0,0,0|2,0,0]=4 14403 B18R2.124731 CC(CCO)Oc1cc(c2ncccc2c1)F 34a_100009888031_100009893172 [0,2,0,0,0,0|2,0,0]=4 14404 B18R2.124731 CC(CCO)Oc1cc(c2ncccc2c1)F 7a_100009888031_100009893172 [0,2,0,0,0,0|2,0,0]=4 14405 B18R2.124731 CC(CCO)Oc1cc(c2ncccc2c1)N 34a_100000083691_100009893172 [0,2,0,0,0,0|2,0,0]=4 14406 B18R2.124731 CC(CCO)Sc1cc(c2ccccc2c1)N 62a_100009893172_100010171453 [0,2,0,0,0,0|1,1,0]=4 14407 B18R2.124731 CC(CCO)Sc1cc(c2ccccc2c1)N 62a_100010171453_100009893172 [0,2,0,0,0,0|1,1,0]=4 14408 B18R2.124731 CC(CCO)Sc1cc(c2ccccc2c1)O 62a_100009893172_100010089979 [0,2,0,0,0,0|1,1,0]=4 14409 B18R2.124731 CCCC(=O)Nc1cc(c2ccccc2c1)Br 11a_100010089974_100000211992 [0,2,0,0,0,0|1,0,1]=4 14410 B18R2.124731 CCCC(=O)Nc1cc(c2ccccc2c1)Br 1626a_100010089974_100000211992 [0,2,0,0,0,0|1,0,1]=4 14411 B18R2.124731 CCCC(=O)Nc1cc(c2ccccc2c1)Br 22a_100010089974_100000211992 [0,2,0,0,0,0|1,0,1]=4 14412 B18R2.124731 CCCC(=O)Nc1cc(c2ccccc2c1)Br 527a_100010089974_100000211992 [0,2,0,0,0,0|1,0,1]=4 14413 B18R2.124731 CCCC(C)Nc1cc(c2ccccc2n1)C 27a_100000741246_100000184993 [0,2,0,0,0,0|2,0,0]=4 14414 B18R2.124731 CCCC(C)Nc1cc(c2cnccc2c1)F 27a_100000741246_100011068762 [0,2,0,0,0,0|2,0,0]=4 14415 B18R2.124731 CCCC(C)Nc1cc(c2ncccc2c1)Cl 34a_200009830422_100000766640 [0,2,0,0,0,0|2,0,0]=4 14416 B18R2.124731 CCCC(C)Oc1cc(=O)n2ccccc2n1 34a_100000751361_100000766640 [0,2,0,0,0,0|2,0,0]=4 14417 B18R2.124731 CCCC(C)Oc1cc(c2cnccc2c1)Br 34a_100011009069_100000766640 [0,2,0,0,0,0|1,0,0]=3 14418 B18R2.124731 CCCC(C)Oc1cc(c2cnccc2c1)Br 7a_100011009069_100000766640 [0,2,0,0,0,0|1,0,0]=3 14419 B18R2.124731 CCCC(C)Oc1cc(c2ncccc2c1)Cl 34a_100000097192_100000766640 [0,2,0,0,0,0|1,0,0]=3 14420 B18R2.124731 CCCC(C)Oc1cc(c2ncccc2c1)Cl 7a_100000097192_100000766640 [0,2,0,0,0,0|1,0,0]=3 14421 B18R2.124731 CCCC(C)Oc1cc(c2ncccc2c1)F 34a_100009888031_100000766640 [0,2,0,0,0,0|1,0,0]=3 14422 B18R2.124731 CCCC(C)Oc1cc(c2ncccc2c1)F 7a_100009888031_100000766640 [0,2,0,0,0,0|1,0,0]=3 14423 B18R2.124731 CCCC(C)Oc1cc(c2ncccc2c1)N 34a_100000083691_100000766640 [0,2,0,0,0,0|1,0,0]=3 14424 B18R2.124731 CCCC(C)Sc1cc(=O)c2ccccc2[nH]1 62a_100000766640_100000090176 [0,2,0,0,0,0|1,1,0]=4 14425 B18R2.124731 CCCC(C)Sc1cc(c2ccccc2c1)N 62a_100000766640_100010171453 [0,2,0,0,0,0|0,1,0]=3 14426 B18R2.124731 CCCC(C)Sc1cc(c2ccccc2c1)N 62a_100010171453_100000766640 [0,2,0,0,0,0|0,1,0]=3 14427 B18R2.124731 CCCC(C)Sc1cc(c2ccccc2c1)O 62a_100000766640_100010089979 [0,2,0,0,0,0|0,1,0]=3 14428 B18R2.124731 CCCC(C)Sc1cc(c2ccccc2n1)C 62a_100000766640_100000184993 [0,2,0,0,0,0|1,1,0]=4 14429 B18R2.124731 CCCC(C)Sc1cc(c2ccccc2n1)C 62a_100012354972_100000766640 [0,2,0,0,0,0|1,1,0]=4 14430 B18R2.124731 CCCC(C)Sc1cc(c2ccccc2n1)N 62a_100010197925_100000766640 [0,2,0,0,0,0|1,1,0]=4 14431 B18R2.124731 CCCC(C)Sc1cc(c2cccnc2c1)N 62a_100000766640_200010263263 [0,2,0,0,0,0|1,1,0]=4 14432 B18R2.124731 CCCC(C)Sc1cc(c2cccnc2c1)N 62a_200010263263_100000766640 [0,2,0,0,0,0|1,1,0]=4 14433 B18R2.124731 CCCC(C)Sc1cc(c2cnccc2c1)F 62a_100000766640_100011068762 [0,2,0,0,0,0|1,1,0]=4 14434 B18R2.124731 CCCC(C)Sc1cc(c2cnccc2c1)F 62a_100011068762_100000766640 [0,2,0,0,0,0|1,1,0]=4 14435 B18R2.124731 CCCC(C)Sc1cc(c2ncccc2c1)C 62a_100000766640_100010130319 [0,2,0,0,0,0|1,1,0]=4 14436 B18R2.124731 CCCC(C)Sc1cc(c2ncccc2c1)F 62a_100000766640_100010234705 [0,2,0,0,0,0|1,1,0]=4 14437 B18R2.124731 CCCC(C)Sc1cc(c2ncccc2c1)F 62a_100010234705_100000766640 [0,2,0,0,0,0|1,1,0]=4 14438 B18R2.124731 CCCC(C)Sc1cc(c2ncccc2c1)N 62a_100000766640_100009814519 [0,2,0,0,0,0|1,1,0]=4 14439 B18R2.124731 CCCC(C)Sc1cc(c2ncccc2c1)O 62a_100000766640_100010248853 [0,2,0,0,0,0|1,1,0]=4 14440 B18R2.124731 CCCC(C)Sc1cc2ccccc2c(=O)[nH]1 62a_100000766640_200015811170 [0,2,0,0,0,0|1,1,0]=4 14441 B18R2.124731 CCCC(C)Sc1cc2ccccc2c(n1)N 62a_100000766640_100009957331 [0,2,0,0,0,0|1,1,0]=4 14442 B18R2.124731 CCCC(C)Sc1cc2ccccc2c(n1)N 62a_100009957331_100000766640 [0,2,0,0,0,0|1,1,0]=4 14443 B18R2.124731 CCCN(C)Cc1cc(c2ccccc2c1)Br 26a_100000747261_100010001680 [0,2,0,0,0,0|2,0,0]=4 14444 B18R2.124731 COCC(C)Nc1cc(c2ccccc2c1)Br 34a_100010089974_100000765312 [0,2,0,0,0,0|2,0,0]=4 14445 B18R2.124731 COCC(C)Nc1cc(c2ccccc2c1)Br 7a_100010089974_100000765312 [0,2,0,0,0,0|2,0,0]=4 14446 B18R2.124731 COCC(C)Oc1cc(c2ccccc2c1)Br 34a_100010001680_100000765312 [0,2,0,0,0,0|1,0,0]=3 14447 B18R2.124731 COCC(C)Oc1cc(c2ccccc2c1)Br 7a_100010001680_100000765312 [0,2,0,0,0,0|1,0,0]=3 14448 B18R2.124731 COCC(C)Oc1cc(c2cnccc2c1)Br 34a_100011009069_100000765312 [0,2,0,0,0,0|2,0,0]=4 14449 B18R2.124731 COCC(C)Oc1cc(c2cnccc2c1)Br 7a_100011009069_100000765312 [0,2,0,0,0,0|2,0,0]=4 14450 B18R2.124731 COCC(C)Oc1cc(c2ncccc2c1)Cl 34a_100000097192_100000765312 [0,2,0,0,0,0|2,0,0]=4 14451 B18R2.124731 COCC(C)Oc1cc(c2ncccc2c1)Cl 7a_100000097192_100000765312 [0,2,0,0,0,0|2,0,0]=4 14452 B18R2.124731 COCC(C)Oc1cc(c2ncccc2c1)F 34a_100009888031_100000765312 [0,2,0,0,0,0|2,0,0]=4 14453 B18R2.124731 COCC(C)Oc1cc(c2ncccc2c1)F 7a_100009888031_100000765312 [0,2,0,0,0,0|2,0,0]=4 14454 B18R2.124731 COCC(C)Oc1cc(c2ncccc2c1)N 34a_100000083691_100000765312 [0,2,0,0,0,0|2,0,0]=4 14455 B18R2.124731 COCC(C)Sc1cc(c2ccccc2c1)N 62a_100000765312_100010171453 [0,2,0,0,0,0|1,1,0]=4 14456 B18R2.124731 COCC(C)Sc1cc(c2ccccc2c1)N 62a_100010171453_100000765312 [0,2,0,0,0,0|1,1,0]=4 14457 B18R2.124731 COCC(C)Sc1cc(c2ccccc2c1)O 62a_100000765312_100010089979 [0,2,0,0,0,0|1,1,0]=4 14458 B18R2.124774 CC(CC#N)Oc1cc2ccccc2cc1Br 7a_100009817189_100009813641 [0,2,0,0,0,0|1,0,1]=4 14459 B18R2.124774 CC(CC#N)Oc1cc2ccccc2cc1N 7a_106744474703_100009813641 [0,2,0,0,0,0|1,0,1]=4 14460 B18R2.124774 CC(CCO)Nc1cc2ccccc2cc1Br 34a_100009991566_100009893172 [0,2,0,0,0,0|2,0,0]=4 14461 B18R2.124774 CC(CCO)Nc1cc2ccccc2cc1Br 7a_100009991566_100009893172 [0,2,0,0,0,0|2,0,0]=4 14462 B18R2.124774 CC(CCO)Oc1cc2ccccc2cc1Br 34a_100009817189_100009893172 [0,2,0,0,0,0|1,0,0]=3 14463 B18R2.124774 CC(CCO)Oc1cc2ccccc2cc1Br 7a_100009817189_100009893172 [0,2,0,0,0,0|1,0,0]=3 14464 B18R2.124774 CC(CCO)Oc1cc2ccccc2cc1N 34a_106744474703_100009893172 [0,2,0,0,0,0|1,0,0]=3 14465 B18R2.124774 CC(CCO)Oc1cc2ccccc2cc1N 7a_106744474703_100009893172 [0,2,0,0,0,0|1,0,0]=3 14466 B18R2.124774 CC(CCO)Oc1cc2ccccc2nc1Cl 34a_200000100762_100009893172 [0,2,0,0,0,0|2,0,0]=4 14467 B18R2.124774 CC(CCO)Oc1cc2ccccc2nc1Cl 7a_200000100762_100009893172 [0,2,0,0,0,0|2,0,0]=4 14468 B18R2.124774 CC(CCO)Oc1cc2ccccc2oc1=O 7a_100000061252_100009893172 [0,2,0,0,0,0|2,0,0]=4 14469 B18R2.124774 CC(CCO)Oc1cc2cccnc2cc1Br 34a_200010153759_100009893172 [0,2,0,0,0,0|2,0,0]=4 14470 B18R2.124774 CC(CCO)Oc1cc2cccnc2cc1Br 7a_200010153759_100009893172 [0,2,0,0,0,0|2,0,0]=4 14471 B18R2.124774 CC(CCO)Sc1cc2ccccc2cc1Br 62a_100009893172_200010169544 [0,2,0,0,0,0|1,1,0]=4 14472 B18R2.124774 CC(CCO)Sc1cc2ccccc2cc1Br 62a_200010169544_100009893172 [0,2,0,0,0,0|1,1,0]=4 14473 B18R2.124774 CC(CCO)Sc1cc2ccccc2cc1Cl 62a_100009893172_100010152806 [0,2,0,0,0,0|1,1,0]=4 14474 B18R2.124774 CC(CCO)Sc1cc2ccccc2cc1Cl 62a_100010152806_100009893172 [0,2,0,0,0,0|1,1,0]=4 14475 B18R2.124774 CC(CCO)Sc1cc2ccccc2cc1N 62a_100009893172_100009991566 [0,2,0,0,0,0|1,1,0]=4 14476 B18R2.124774 CC(CCO)Sc1cc2ccccc2cc1N 62a_100009991566_100009893172 [0,2,0,0,0,0|1,1,0]=4 14477 B18R2.124774 CC(CCO)Sc1cc2ccccc2cc1O 62a_100009893172_100009817189 [0,2,0,0,0,0|1,1,0]=4 14478 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1Br 11a_100009991566_100000211992 [0,2,0,0,0,0|1,0,1]=4 14479 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1Br 1626a_100009991566_100000211992 [0,2,0,0,0,0|1,0,1]=4 14480 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1I 11a_100009892810_100000211992 [0,2,0,0,0,0|1,0,1]=4 14481 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1I 1626a_100009892810_100000211992 [0,2,0,0,0,0|1,0,1]=4 14482 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1O 22a_106744474703_100000211992 [0,2,0,0,0,0|1,0,1]=4 14483 B18R2.124774 CCCC(=O)Nc1cc2ccccc2cc1O 527a_106744474703_100000211992 [0,2,0,0,0,0|1,0,1]=4 14484 B18R2.124774 CCCC(C)Nc1nc2ccccc2cc1C 27a_100000741246_100000751756 [0,2,0,0,0,0|2,0,0]=4 14485 B18R2.124774 CCCC(C)Oc1cc2ccccc2cc1C 34a_100000091601_100000766640 [0,2,0,0,0,0|0,0,0]=2 14486 B18R2.124774 CCCC(C)Oc1cc2ccccc2cc1C 7a_100000091601_100000766640 [0,2,0,0,0,0|0,0,0]=2 14487 B18R2.124774 CCCC(C)Oc1cc2ccccc2cc1N 34a_106744474703_100000766640 [0,2,0,0,0,0|0,0,0]=2 14488 B18R2.124774 CCCC(C)Oc1cc2ccccc2cc1N 7a_106744474703_100000766640 [0,2,0,0,0,0|0,0,0]=2 14489 B18R2.124774 CCCC(C)Oc1cc2ccccc2nc1C 34a_200000079175_100000766640 [0,2,0,0,0,0|1,0,0]=3 14490 B18R2.124774 CCCC(C)Oc1cc2ccccc2nc1C 7a_200000079175_100000766640 [0,2,0,0,0,0|1,0,0]=3 14491 B18R2.124774 CCCC(C)Oc1cc2ccccc2nc1Cl 34a_200000100762_100000766640 [0,2,0,0,0,0|1,0,0]=3 14492 B18R2.124774 CCCC(C)Oc1cc2ccccc2nc1Cl 7a_200000100762_100000766640 [0,2,0,0,0,0|1,0,0]=3 14493 B18R2.124774 CCCC(C)Oc1cc2ccccc2oc1=O 7a_100000061252_100000766640 [0,2,0,0,0,0|1,0,0]=3 14494 B18R2.124774 CCCC(C)Oc1cc2cccnc2cc1Br 34a_200010153759_100000766640 [0,2,0,0,0,0|1,0,0]=3 14495 B18R2.124774 CCCC(C)Oc1cc2cccnc2cc1Br 7a_200010153759_100000766640 [0,2,0,0,0,0|1,0,0]=3 14496 B18R2.124774 CCCC(C)Sc1cc2ccccc2cc1N 62a_100000766640_100009991566 [0,2,0,0,0,0|0,1,0]=3 14497 B18R2.124774 CCCC(C)Sc1cc2ccccc2cc1N 62a_100009991566_100000766640 [0,2,0,0,0,0|0,1,0]=3 14498 B18R2.124774 CCCC(C)Sc1cc2ccccc2cc1O 62a_100000766640_100009817189 [0,2,0,0,0,0|0,1,0]=3 14499 B18R2.124774 CCCC(C)Sc1cc2ccccc2nc1F 62a_100000766640_100011158909 [0,2,0,0,0,0|1,1,0]=4 14500 B18R2.124774 CCCC(C)Sc1cc2ccccc2nc1F 62a_100011158909_100000766640 [0,2,0,0,0,0|1,1,0]=4 14501 B18R2.124774 CCCC(C)Sc1cc2ccccc2nc1N 62a_100010135404_100000766640 [0,2,0,0,0,0|1,1,0]=4 14502 B18R2.124774 CCCC(C)Sc1cc2ccccc2nc1O 62a_100000766640_200009820883 [0,2,0,0,0,0|1,1,0]=4 14503 B18R2.124774 CCCC(C)Sc1cc2ccccc2oc1=O 62a_100000766640_200000187772 [0,2,0,0,0,0|1,1,0]=4 14504 B18R2.124774 CCCC(C)Sc1cc2cccnc2cc1C 62a_100000766640_100010137429 [0,2,0,0,0,0|1,1,0]=4 14505 B18R2.124774 CCCC(C)Sc1cc2cccnc2cc1C 62a_100010137429_100000766640 [0,2,0,0,0,0|1,1,0]=4 14506 B18R2.124774 CCCC(C)Sc1cc2cccnc2cc1F 62a_100000766640_100009854028 [0,2,0,0,0,0|1,1,0]=4 14507 B18R2.124774 CCCC(C)Sc1cc2cccnc2cc1F 62a_100009854028_100000766640 [0,2,0,0,0,0|1,1,0]=4 14508 B18R2.124774 CCCC(C)Sc1cc2ccncc2cc1F 62a_100000766640_100011105921 [0,2,0,0,0,0|1,1,0]=4 14509 B18R2.124774 CCCC(C)Sc1cc2ccncc2cc1F 62a_100011105921_100000766640 [0,2,0,0,0,0|1,1,0]=4 14510 B18R2.124774 CCCC(C)Sc1cc2cnccc2cc1F 62a_100000766640_100010244713 [0,2,0,0,0,0|1,1,0]=4 14511 B18R2.124774 CCCC(C)Sc1cc2cnccc2cc1F 62a_100010244713_100000766640 [0,2,0,0,0,0|1,1,0]=4 14512 B18R2.124774 CCCC(C)Sc1cc2ncccc2cc1O 62a_100000766640_200010153759 [0,2,0,0,0,0|1,1,0]=4 14513 B18R2.124774 CCCC(C)Sc1nc2ccccc2cc1C 62a_100000766640_100000751756 [0,2,0,0,0,0|1,1,0]=4 14514 B18R2.124774 CCCC(C)Sc1nc2ccccc2cc1O 62a_100000766640_200000100762 [0,2,0,0,0,0|1,1,0]=4 14515 B18R2.124774 CCCN(C)Cc1cc2ccccc2cc1Br 26a_100000747261_100009817189 [0,2,0,0,0,0|2,0,0]=4 14516 B18R2.124774 COCC(C)Nc1cc2ccccc2cc1Br 34a_100009991566_100000765312 [0,2,0,0,0,0|2,0,0]=4 14517 B18R2.124774 COCC(C)Nc1cc2ccccc2cc1Br 7a_100009991566_100000765312 [0,2,0,0,0,0|2,0,0]=4 14518 B18R2.124774 COCC(C)Oc1cc2ccccc2cc1Br 34a_100009817189_100000765312 [0,2,0,0,0,0|1,0,0]=3 14519 B18R2.124774 COCC(C)Oc1cc2ccccc2cc1Br 7a_100009817189_100000765312 [0,2,0,0,0,0|1,0,0]=3 14520 B18R2.124774 COCC(C)Oc1cc2ccccc2cc1C 34a_100000091601_100000765312 [0,2,0,0,0,0|1,0,0]=3 14521 B18R2.124774 COCC(C)Oc1cc2ccccc2cc1C 7a_100000091601_100000765312 [0,2,0,0,0,0|1,0,0]=3 14522 B18R2.124774 COCC(C)Oc1cc2ccccc2cc1N 34a_106744474703_100000765312 [0,2,0,0,0,0|1,0,0]=3 14523 B18R2.124774 COCC(C)Oc1cc2ccccc2cc1N 7a_106744474703_100000765312 [0,2,0,0,0,0|1,0,0]=3 14524 B18R2.124774 COCC(C)Oc1cc2ccccc2nc1C 34a_200000079175_100000765312 [0,2,0,0,0,0|2,0,0]=4 14525 B18R2.124774 COCC(C)Oc1cc2ccccc2nc1C 7a_200000079175_100000765312 [0,2,0,0,0,0|2,0,0]=4 14526 B18R2.124774 COCC(C)Oc1cc2ccccc2nc1Cl 34a_200000100762_100000765312 [0,2,0,0,0,0|2,0,0]=4 14527 B18R2.124774 COCC(C)Oc1cc2ccccc2nc1Cl 7a_200000100762_100000765312 [0,2,0,0,0,0|2,0,0]=4 14528 B18R2.124774 COCC(C)Oc1cc2ccccc2oc1=O 7a_100000061252_100000765312 [0,2,0,0,0,0|2,0,0]=4 14529 B18R2.124774 COCC(C)Oc1cc2cccnc2cc1Br 34a_200010153759_100000765312 [0,2,0,0,0,0|2,0,0]=4 14530 B18R2.124774 COCC(C)Oc1cc2cccnc2cc1Br 7a_200010153759_100000765312 [0,2,0,0,0,0|2,0,0]=4 14531 B18R2.124774 COCC(C)Sc1cc2ccccc2cc1Br 62a_100000765312_200010169544 [0,2,0,0,0,0|1,1,0]=4 14532 B18R2.124774 COCC(C)Sc1cc2ccccc2cc1Br 62a_200010169544_100000765312 [0,2,0,0,0,0|1,1,0]=4 14533 B18R2.124774 COCC(C)Sc1cc2ccccc2cc1Cl 62a_100000765312_100010152806 [0,2,0,0,0,0|1,1,0]=4 14534 B18R2.124774 COCC(C)Sc1cc2ccccc2cc1Cl 62a_100010152806_100000765312 [0,2,0,0,0,0|1,1,0]=4 14535 B18R2.124774 COCC(C)Sc1cc2ccccc2cc1N 62a_100000765312_100009991566 [0,2,0,0,0,0|1,1,0]=4 14536 B18R2.124774 COCC(C)Sc1cc2ccccc2cc1N 62a_100009991566_100000765312 [0,2,0,0,0,0|1,1,0]=4 14537 B18R2.124774 COCC(C)Sc1cc2ccccc2cc1O 62a_100000765312_100009817189 [0,2,0,0,0,0|1,1,0]=4 14538 B18R2.124774 Cc1cc2ccccc2cc1OC(C)CC#N 7a_100000091601_100009813641 [0,2,0,0,0,0|1,0,1]=4 14539 B18R2.124774 Cc1cc2ccccc2cc1OC(C)CCO 34a_100000091601_100009893172 [0,2,0,0,0,0|1,0,0]=3 14540 B18R2.124774 Cc1cc2ccccc2cc1OC(C)CCO 7a_100000091601_100009893172 [0,2,0,0,0,0|1,0,0]=3 14541 B18R2.124774 Cc1nc2ccccc2cc1OC(C)CCO 34a_200000079175_100009893172 [0,2,0,0,0,0|2,0,0]=4 14542 B18R2.124774 Cc1nc2ccccc2cc1OC(C)CCO 7a_200000079175_100009893172 [0,2,0,0,0,0|2,0,0]=4 14543 B18R2.125209 CCCC(CC)Nc1ccc2ccccc2c1 7a_100000211940_100011219200 [0,2,0,0,0,0|1,0,0]=3 14544 B18R2.125209 CCCC(CC)Nc1ccc2ccccc2n1 27a_100000747048_100011291633 [0,2,0,0,0,0|2,0,0]=4 14545 B18R2.125209 CCCC(CC)Oc1ccc2ccccc2c1 7a_100000185828_100011219200 [0,2,0,0,0,0|0,0,0]=2 14546 B18R2.125209 CCCC(CC)Oc1ccc2ccncc2c1 7a_100000752006_100011219200 [0,2,0,0,0,0|1,0,0]=3 14547 B18R2.125209 CCCC(CC)Oc1ccc2cnccc2c1 7a_100000046372_100011219200 [0,2,0,0,0,0|1,0,0]=3 14548 B18R2.125209 CCCC(CC)Oc1ccc2ncccc2c1 7a_100011215586_100011219200 [0,2,0,0,0,0|1,0,0]=3 14549 B18R2.125209 CCCC(CC)Oc1cnc2ccccc2c1 7a_100011934006_100011219200 [0,2,0,0,0,0|1,0,0]=3 14550 B18R2.125209 CCCC(CC)Sc1cc2ccccc2cn1 62a_100009816522_100011219200 [0,2,0,0,0,0|1,1,0]=4 14551 B18R2.125209 CCCC(CC)Sc1cc2ccccc2cn1 62a_100011219200_100000047361 [0,2,0,0,0,0|1,1,0]=4 14552 B18R2.125209 CCCC(CC)Sc1ccc2ccccc2n1 62a_100011219200_100011291633 [0,2,0,0,0,0|1,1,0]=4 14553 B18R2.125209 CCCC(CC)Sc1ccc2ccccc2n1 62a_100011291633_100011219200 [0,2,0,0,0,0|1,1,0]=4 14554 B18R2.125209 CCCC(CC)Sc1ccc2cccnc2c1 62a_100011219200_100009816655 [0,2,0,0,0,0|1,1,0]=4 14555 B18R2.125209 CCCC(CC)Sc1ccc2ccncc2c1 62a_100000686496_100011219200 [0,2,0,0,0,0|1,1,0]=4 14556 B18R2.125209 CCCC(CC)Sc1ccc2ccncc2c1 62a_100011219200_100000686496 [0,2,0,0,0,0|1,1,0]=4 14557 B18R2.125209 CCCC(CC)Sc1ccc2cnccc2c1 62a_100009816743_100011219200 [0,2,0,0,0,0|1,1,0]=4 14558 B18R2.125209 CCCC(CC)Sc1ccc2cnccc2c1 62a_100011219200_100009816743 [0,2,0,0,0,0|1,1,0]=4 14559 B18R2.125209 CCCC(CC)Sc1ccc2ncccc2c1 62a_100011215947_100011219200 [0,2,0,0,0,0|1,1,0]=4 14560 B18R2.125209 CCCC(CC)Sc1ccc2ncccc2c1 62a_100011219200_100011215947 [0,2,0,0,0,0|1,1,0]=4 14561 B18R2.125209 CCCC(CC)Sc1cnc2ccccc2c1 62a_100011219200_100000737414 [0,2,0,0,0,0|1,1,0]=4 14562 B18R2.125209 CCCN(CC)Cc1ccc2ccccc2c1 2230a_100000201282_100000210303 [0,2,0,0,0,0|2,0,0]=4 14563 B18R2.125209 CCCN(CC)Cc1ccc2ccccc2c1 2230a_100000226822_100011216711 [0,2,0,0,0,0|2,0,0]=4 14564 B18R2.125209 CCCN(CC)Cc1ccc2ccccc2c1 269982a_100000201282_100000210303 [0,2,0,0,0,0|2,0,0]=4 14565 B18R2.125209 CCCN(CC)Cc1ccc2ccccc2c1 269982a_100000226822_100011216711 [0,2,0,0,0,0|2,0,0]=4 14566 B18R2.125209 CCCN(CC)Cc1ccc2ccccc2c1 270004a_100000226822_100000211584 [0,2,0,0,0,0|2,0,0]=4 14567 B18R2.125209 CCC[C@@H](CO)Nc1ccc2ccccc2n1 27a_100000732646_100011291633 [0,2,0,0,0,0|2,0,0]=4 14568 B18R2.584300 CCCS(=O)(=O)Nc1ccc2ccccc2c1 232682a_100000211940_100000211391 [0,2,0,0,0,0|2,0,0]=4 14569 B18R2.584300 CCCS(=O)(=O)Nc1ccc2ccccc2c1 40a_100000211940_100000054278 [0,2,0,0,0,0|2,0,0]=4 14570 B18R2.584300 CCNC(C)(C)Cc1ccc2ccccc2c1 2230a_100000104098_100000210202 [0,2,0,0,0,0|2,0,0]=4 14571 B18R2.895465 CC(CC#N)Oc1ccc2c(cccc2c1)N 7a_100000034668_100009813641 [0,2,0,0,0,0|1,0,1]=4 14572 B18R2.895465 CC(CCO)Nc1ccc2c(cccc2c1)O 34a_100000035793_100009893172 [0,2,0,0,0,0|2,0,0]=4 14573 B18R2.895465 CC(CCO)Nc1ccc2c(cccc2c1)O 7a_100000035793_100009893172 [0,2,0,0,0,0|2,0,0]=4 14574 B18R2.895465 CC(CCO)Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100009893172 [0,2,0,0,0,0|2,0,0]=4 14575 B18R2.895465 CC(CCO)Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100009893172 [0,2,0,0,0,0|2,0,0]=4 14576 B18R2.895465 CC(CCO)Oc1ccc2c(=O)ccoc2c1 34a_200000065989_100009893172 [0,2,0,0,0,0|2,0,0]=4 14577 B18R2.895465 CC(CCO)Oc1ccc2c(=O)ccoc2c1 7a_200000065989_100009893172 [0,2,0,0,0,0|2,0,0]=4 14578 B18R2.895465 CC(CCO)Oc1ccc2c(cccc2c1)N 34a_100000034668_100009893172 [0,2,0,0,0,0|1,0,0]=3 14579 B18R2.895465 CC(CCO)Oc1ccc2c(cccc2c1)N 7a_100000034668_100009893172 [0,2,0,0,0,0|1,0,0]=3 14580 B18R2.895465 CC(CCO)Oc1ccc2c(ccnc2c1)Br 34a_100010204257_100009893172 [0,2,0,0,0,0|2,0,0]=4 14581 B18R2.895465 CC(CCO)Oc1ccc2c(ccnc2c1)Br 7a_100010204257_100009893172 [0,2,0,0,0,0|2,0,0]=4 14582 B18R2.895465 CC(CCO)Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_100009893172 [0,2,0,0,0,0|2,0,0]=4 14583 B18R2.895465 CC(CCO)Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_100009893172 [0,2,0,0,0,0|2,0,0]=4 14584 B18R2.895465 CC(CCO)Oc1ccc2c(nccc2c1)Cl 34a_100009867704_100009893172 [0,2,0,0,0,0|2,0,0]=4 14585 B18R2.895465 CC(CCO)Oc1ccc2c(nccc2c1)Cl 7a_100009867704_100009893172 [0,2,0,0,0,0|2,0,0]=4 14586 B18R2.895465 CC(CCO)Oc1cnc2c(cccc2c1)F 34a_100012184956_100009893172 [0,2,0,0,0,0|2,0,0]=4 14587 B18R2.895465 CC(CCO)Oc1cnc2c(cccc2c1)F 7a_100012184956_100009893172 [0,2,0,0,0,0|2,0,0]=4 14588 B18R2.895465 CC(CCO)Sc1ccc2c(cccc2c1)N 62a_100009893172_100010090037 [0,2,0,0,0,0|1,1,0]=4 14589 B18R2.895465 CC(CCO)Sc1ccc2c(cccc2c1)N 62a_100010090037_100009893172 [0,2,0,0,0,0|1,1,0]=4 14590 B18R2.895465 CC(CCO)Sc1ccc2c(cccc2c1)O 62a_100009893172_100010202202 [0,2,0,0,0,0|1,1,0]=4 14591 B18R2.895465 CCCC(=O)Nc1ccc2c(cccc2c1)O 1626a_100000035793_100000211992 [0,2,0,0,0,0|1,0,1]=4 14592 B18R2.895465 CCCC(=O)Nc1ccc2c(cccc2c1)O 22a_100000035793_100000211992 [0,2,0,0,0,0|1,0,1]=4 14593 B18R2.895465 CCCC(=O)Nc1ccc2c(cccc2c1)O 527a_100000035793_100000211992 [0,2,0,0,0,0|1,0,1]=4 14594 B18R2.895465 CCCC(C)Nc1ccc2c(cccc2c1)O 34a_100000035793_100000766640 [0,2,0,0,0,0|1,0,0]=3 14595 B18R2.895465 CCCC(C)Nc1ccc2c(cccc2c1)O 7a_100000035793_100000766640 [0,2,0,0,0,0|1,0,0]=3 14596 B18R2.895465 CCCC(C)Nc1ccc2c(ccnc2c1)Cl 27a_100000741246_100009996786 [0,2,0,0,0,0|2,0,0]=4 14597 B18R2.895465 CCCC(C)Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000766640 [0,2,0,0,0,0|1,0,0]=3 14598 B18R2.895465 CCCC(C)Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000766640 [0,2,0,0,0,0|1,0,0]=3 14599 B18R2.895465 CCCC(C)Oc1ccc2c(=O)ccoc2c1 34a_200000065989_100000766640 [0,2,0,0,0,0|1,0,0]=3 14600 B18R2.895465 CCCC(C)Oc1ccc2c(=O)ccoc2c1 7a_200000065989_100000766640 [0,2,0,0,0,0|1,0,0]=3 14601 B18R2.895465 CCCC(C)Oc1ccc2c(cccc2c1)N 34a_100000034668_100000766640 [0,2,0,0,0,0|0,0,0]=2 14602 B18R2.895465 CCCC(C)Oc1ccc2c(cccc2c1)N 7a_100000034668_100000766640 [0,2,0,0,0,0|0,0,0]=2 14603 B18R2.895465 CCCC(C)Oc1ccc2c(ccnc2c1)Br 34a_100010204257_100000766640 [0,2,0,0,0,0|1,0,0]=3 14604 B18R2.895465 CCCC(C)Oc1ccc2c(ccnc2c1)Br 7a_100010204257_100000766640 [0,2,0,0,0,0|1,0,0]=3 14605 B18R2.895465 CCCC(C)Oc1ccc2c(ccnc2c1)C 34a_200009854145_100000766640 [0,2,0,0,0,0|1,0,0]=3 14606 B18R2.895465 CCCC(C)Oc1ccc2c(ccnc2c1)C 7a_200009854145_100000766640 [0,2,0,0,0,0|1,0,0]=3 14607 B18R2.895465 CCCC(C)Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000766640 [0,2,0,0,0,0|1,0,0]=3 14608 B18R2.895465 CCCC(C)Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000766640 [0,2,0,0,0,0|1,0,0]=3 14609 B18R2.895465 CCCC(C)Oc1ccc2c(nccc2c1)Cl 34a_100009867704_100000766640 [0,2,0,0,0,0|1,0,0]=3 14610 B18R2.895465 CCCC(C)Oc1ccc2c(nccc2c1)Cl 7a_100009867704_100000766640 [0,2,0,0,0,0|1,0,0]=3 14611 B18R2.895465 CCCC(C)Oc1cnc2c(cccc2c1)F 34a_100012184956_100000766640 [0,2,0,0,0,0|1,0,0]=3 14612 B18R2.895465 CCCC(C)Oc1cnc2c(cccc2c1)F 7a_100012184956_100000766640 [0,2,0,0,0,0|1,0,0]=3 14613 B18R2.895465 CCCC(C)Sc1ccc2c(=O)ccoc2c1 62a_100000766640_100010062221 [0,2,0,0,0,0|1,1,0]=4 14614 B18R2.895465 CCCC(C)Sc1ccc2c(cccc2c1)N 62a_100000766640_100010090037 [0,2,0,0,0,0|0,1,0]=3 14615 B18R2.895465 CCCC(C)Sc1ccc2c(cccc2c1)N 62a_100010090037_100000766640 [0,2,0,0,0,0|0,1,0]=3 14616 B18R2.895465 CCCC(C)Sc1ccc2c(cccc2c1)O 62a_100000766640_100010202202 [0,2,0,0,0,0|0,1,0]=3 14617 B18R2.895465 CCCC(C)Sc1ccc2c(ccnc2c1)C 62a_100000766640_100010132309 [0,2,0,0,0,0|1,1,0]=4 14618 B18R2.895465 CCCC(C)Sc1ccc2c(ccnc2c1)C 62a_100010132309_100000766640 [0,2,0,0,0,0|1,1,0]=4 14619 B18R2.895465 CCCC(C)Sc1ccc2c(ccnc2c1)N 62a_200009816820_100000766640 [0,2,0,0,0,0|1,1,0]=4 14620 B18R2.895465 CCCC(C)Sc1ccc2c(ccnc2c1)O 62a_100000766640_100000756855 [0,2,0,0,0,0|1,1,0]=4 14621 B18R2.895465 CCCC(C)Sc1ccc2c(nccc2c1)N 62a_100000732483_100000766640 [0,2,0,0,0,0|1,1,0]=4 14622 B18R2.895465 CCCC(C)Sc1ccc2c(nccc2c1)N 62a_100000766640_100000732483 [0,2,0,0,0,0|1,1,0]=4 14623 B18R2.895465 CCCC(C)Sc1ccc2c(nccc2c1)O 62a_100000766640_100000760485 [0,2,0,0,0,0|1,1,0]=4 14624 B18R2.895465 CCCC(C)Sc1cnc2c(cccc2c1)C 62a_100000766640_100009829671 [0,2,0,0,0,0|1,1,0]=4 14625 B18R2.895465 CCCC(C)Sc1cnc2c(cccc2c1)F 62a_100000049890_100000766640 [0,2,0,0,0,0|1,1,0]=4 14626 B18R2.895465 CCCC(C)Sc1cnc2c(cccc2c1)F 62a_100000766640_100000049890 [0,2,0,0,0,0|1,1,0]=4 14627 B18R2.895465 CCCC(C)Sc1cnc2c(cccc2c1)N 62a_100000766640_100000702407 [0,2,0,0,0,0|1,1,0]=4 14628 B18R2.895465 COCC(C)Nc1ccc2c(cccc2c1)O 34a_100000035793_100000765312 [0,2,0,0,0,0|2,0,0]=4 14629 B18R2.895465 COCC(C)Nc1ccc2c(cccc2c1)O 7a_100000035793_100000765312 [0,2,0,0,0,0|2,0,0]=4 14630 B18R2.895465 COCC(C)Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000765312 [0,2,0,0,0,0|2,0,0]=4 14631 B18R2.895465 COCC(C)Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000765312 [0,2,0,0,0,0|2,0,0]=4 14632 B18R2.895465 COCC(C)Oc1ccc2c(=O)ccoc2c1 34a_200000065989_100000765312 [0,2,0,0,0,0|2,0,0]=4 14633 B18R2.895465 COCC(C)Oc1ccc2c(=O)ccoc2c1 7a_200000065989_100000765312 [0,2,0,0,0,0|2,0,0]=4 14634 B18R2.895465 COCC(C)Oc1ccc2c(cccc2c1)N 34a_100000034668_100000765312 [0,2,0,0,0,0|1,0,0]=3 14635 B18R2.895465 COCC(C)Oc1ccc2c(cccc2c1)N 7a_100000034668_100000765312 [0,2,0,0,0,0|1,0,0]=3 14636 B18R2.895465 COCC(C)Oc1ccc2c(ccnc2c1)Br 34a_100010204257_100000765312 [0,2,0,0,0,0|2,0,0]=4 14637 B18R2.895465 COCC(C)Oc1ccc2c(ccnc2c1)Br 7a_100010204257_100000765312 [0,2,0,0,0,0|2,0,0]=4 14638 B18R2.895465 COCC(C)Oc1ccc2c(ccnc2c1)C 34a_200009854145_100000765312 [0,2,0,0,0,0|2,0,0]=4 14639 B18R2.895465 COCC(C)Oc1ccc2c(ccnc2c1)C 7a_200009854145_100000765312 [0,2,0,0,0,0|2,0,0]=4 14640 B18R2.895465 COCC(C)Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000765312 [0,2,0,0,0,0|2,0,0]=4 14641 B18R2.895465 COCC(C)Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000765312 [0,2,0,0,0,0|2,0,0]=4 14642 B18R2.895465 COCC(C)Oc1ccc2c(nccc2c1)Cl 34a_100009867704_100000765312 [0,2,0,0,0,0|2,0,0]=4 14643 B18R2.895465 COCC(C)Oc1ccc2c(nccc2c1)Cl 7a_100009867704_100000765312 [0,2,0,0,0,0|2,0,0]=4 14644 B18R2.895465 COCC(C)Oc1cnc2c(cccc2c1)F 34a_100012184956_100000765312 [0,2,0,0,0,0|2,0,0]=4 14645 B18R2.895465 COCC(C)Oc1cnc2c(cccc2c1)F 7a_100012184956_100000765312 [0,2,0,0,0,0|2,0,0]=4 14646 B18R2.895465 COCC(C)Sc1ccc2c(cccc2c1)N 62a_100000765312_100010090037 [0,2,0,0,0,0|1,1,0]=4 14647 B18R2.895465 COCC(C)Sc1ccc2c(cccc2c1)N 62a_100010090037_100000765312 [0,2,0,0,0,0|1,1,0]=4 14648 B18R2.895465 COCC(C)Sc1ccc2c(cccc2c1)O 62a_100000765312_100010202202 [0,2,0,0,0,0|1,1,0]=4 14649 B18R2.895465 Cc1ccnc2c1ccc(c2)OC(C)CCO 34a_200009854145_100009893172 [0,2,0,0,0,0|2,0,0]=4 14650 B18R2.895465 Cc1ccnc2c1ccc(c2)OC(C)CCO 7a_200009854145_100009893172 [0,2,0,0,0,0|2,0,0]=4 14651 B18R2.7514 BrCCCOCc1ccc2ccccc2c1Br 34a_100011217188_100009813938 [0,2,0,0,0,0|1,0,0]=3 14652 B18R2.7514 C#CCCCNc1ccc2ccccc2c1Br 34a_100000705303_100000695029 [0,2,0,0,0,0|1,0,1]=4 14653 B18R2.7514 C#CCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000695029 [0,2,0,0,0,0|1,0,1]=4 14654 B18R2.7514 C#CCCCNc1ccc2ccccc2c1O 34a_100000007060_100000695029 [0,2,0,0,0,0|1,0,1]=4 14655 B18R2.7514 C#CCCCOc1ccc2ccccc2c1Br 34a_100000183829_100000695029 [0,2,0,0,0,0|0,0,1]=3 14656 B18R2.7514 C#CCCCOc1ccc2ccccc2c1Br 7a_100000183829_100011215417 [0,2,0,0,0,0|0,0,1]=3 14657 B18R2.7514 C#CCCCOc1ccc2ccccc2c1C 34a_100009830054_100000695029 [0,2,0,0,0,0|0,0,1]=3 14658 B18R2.7514 C#CCCCOc1ccc2ccccc2c1C 7a_100009830054_100011215417 [0,2,0,0,0,0|0,0,1]=3 14659 B18R2.7514 C#CCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000695029 [0,2,0,0,0,0|0,0,1]=3 14660 B18R2.7514 C#CCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100011215417 [0,2,0,0,0,0|0,0,1]=3 14661 B18R2.7514 C#CCCCOc1ccc2ccccc2c1I 34a_100000041551_100000695029 [0,2,0,0,0,0|0,0,1]=3 14662 B18R2.7514 C#CCCCOc1ccc2ccccc2c1I 7a_100000041551_100011215417 [0,2,0,0,0,0|0,0,1]=3 14663 B18R2.7514 C#CCCCOc1ccc2ccccc2c1N 34a_100000007056_100000695029 [0,2,0,0,0,0|0,0,1]=3 14664 B18R2.7514 C#CCCCOc1ccc2ccccc2c1N 7a_100000007056_100011215417 [0,2,0,0,0,0|0,0,1]=3 14665 B18R2.7514 C#CCCCOc1ccc2cccnc2c1Br 34a_100010173343_100000695029 [0,2,0,0,0,0|1,0,1]=4 14666 B18R2.7514 C#CCCCOc1ccc2cccnc2c1Br 7a_100010173343_100011215417 [0,2,0,0,0,0|1,0,1]=4 14667 B18R2.7514 C#CCCCOc1ccc2ccncc2c1Br 34a_200010115057_100000695029 [0,2,0,0,0,0|1,0,1]=4 14668 B18R2.7514 C#CCCCOc1ccc2ccncc2c1Br 7a_200010115057_100011215417 [0,2,0,0,0,0|1,0,1]=4 14669 B18R2.7514 C#CCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000695029 [0,2,0,0,0,0|1,0,1]=4 14670 B18R2.7514 C#CCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100011215417 [0,2,0,0,0,0|1,0,1]=4 14671 B18R2.7514 C#CCCCSc1ccc2ccccc2c1C 62a_100010221197_100011215417 [0,2,0,0,0,0|0,1,1]=4 14672 B18R2.7514 C#CCCCSc1ccc2ccccc2c1C 62a_100011215417_100010221197 [0,2,0,0,0,0|0,1,1]=4 14673 B18R2.7514 C#CCCCSc1ccc2ccccc2c1F 62a_100009832041_100011215417 [0,2,0,0,0,0|0,1,1]=4 14674 B18R2.7514 C#CCCCSc1ccc2ccccc2c1F 62a_100011215417_100009832041 [0,2,0,0,0,0|0,1,1]=4 14675 B18R2.7514 C#CCCCSc1ccc2ccccc2c1N 62a_100009817101_100011215417 [0,2,0,0,0,0|0,1,1]=4 14676 B18R2.7514 C#CCCCSc1ccc2ccccc2c1O 62a_100011215417_100009996032 [0,2,0,0,0,0|0,1,1]=4 14677 B18R2.7514 C#CCCOCc1ccc2ccccc2c1Br 34a_100011215631_100009813938 [0,2,0,0,0,0|0,0,2]=4 14678 B18R2.7514 C/C=C/COCc1ccc2ccccc2c1Br 34a_100016270725_100009813938 [0,2,0,0,0,0|0,0,2]=4 14679 B18R2.7514 C=CCCCNc1ccc2ccccc2c1Br 34a_100000705303_100000757094 [0,2,0,0,0,0|1,0,1]=4 14680 B18R2.7514 C=CCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000757094 [0,2,0,0,0,0|1,0,1]=4 14681 B18R2.7514 C=CCCCNc1ccc2ccccc2c1O 34a_100000007060_100000757094 [0,2,0,0,0,0|1,0,1]=4 14682 B18R2.7514 C=CCCCOc1ccc2ccccc2c1Br 34a_100000183829_100000757094 [0,2,0,0,0,0|0,0,1]=3 14683 B18R2.7514 C=CCCCOc1ccc2ccccc2c1Br 7a_100000183829_100000757094 [0,2,0,0,0,0|0,0,1]=3 14684 B18R2.7514 C=CCCCOc1ccc2ccccc2c1C 34a_100009830054_100000757094 [0,2,0,0,0,0|0,0,1]=3 14685 B18R2.7514 C=CCCCOc1ccc2ccccc2c1C 7a_100009830054_100000757094 [0,2,0,0,0,0|0,0,1]=3 14686 B18R2.7514 C=CCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000757094 [0,2,0,0,0,0|0,0,1]=3 14687 B18R2.7514 C=CCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000757094 [0,2,0,0,0,0|0,0,1]=3 14688 B18R2.7514 C=CCCCOc1ccc2ccccc2c1I 34a_100000041551_100000757094 [0,2,0,0,0,0|0,0,1]=3 14689 B18R2.7514 C=CCCCOc1ccc2ccccc2c1I 7a_100000041551_100000757094 [0,2,0,0,0,0|0,0,1]=3 14690 B18R2.7514 C=CCCCOc1ccc2ccccc2c1N 34a_100000007056_100000757094 [0,2,0,0,0,0|0,0,1]=3 14691 B18R2.7514 C=CCCCOc1ccc2ccccc2c1N 7a_100000007056_100000757094 [0,2,0,0,0,0|0,0,1]=3 14692 B18R2.7514 C=CCCCOc1ccc2cccnc2c1Br 34a_100010173343_100000757094 [0,2,0,0,0,0|1,0,1]=4 14693 B18R2.7514 C=CCCCOc1ccc2cccnc2c1Br 7a_100010173343_100000757094 [0,2,0,0,0,0|1,0,1]=4 14694 B18R2.7514 C=CCCCOc1ccc2ccncc2c1Br 34a_200010115057_100000757094 [0,2,0,0,0,0|1,0,1]=4 14695 B18R2.7514 C=CCCCOc1ccc2ccncc2c1Br 7a_200010115057_100000757094 [0,2,0,0,0,0|1,0,1]=4 14696 B18R2.7514 C=CCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000757094 [0,2,0,0,0,0|1,0,1]=4 14697 B18R2.7514 C=CCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000757094 [0,2,0,0,0,0|1,0,1]=4 14698 B18R2.7514 C=CCCCSc1ccc2ccccc2c1N 62a_100009817101_100000757094 [0,2,0,0,0,0|0,1,1]=4 14699 B18R2.7514 C=CCCCSc1ccc2ccccc2c1O 62a_100011713584_100009996032 [0,2,0,0,0,0|0,1,1]=4 14700 B18R2.7514 C=CCCOCc1ccc2ccccc2c1Br 34a_100011205117_100009813938 [0,2,0,0,0,0|0,0,2]=4 14701 B18R2.7514 C=COCCOc1ccc2ccccc2c1Br 34a_100000183829_100000039644 [0,2,0,0,0,0|0,0,2]=4 14702 B18R2.7514 C=COCCOc1ccc2ccccc2c1Br 7a_100000183829_100000039644 [0,2,0,0,0,0|0,0,2]=4 14703 B18R2.7514 C=COCCOc1ccc2ccccc2c1C 34a_100009830054_100000039644 [0,2,0,0,0,0|0,0,2]=4 14704 B18R2.7514 C=COCCOc1ccc2ccccc2c1C 7a_100009830054_100000039644 [0,2,0,0,0,0|0,0,2]=4 14705 B18R2.7514 C=COCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000039644 [0,2,0,0,0,0|0,0,2]=4 14706 B18R2.7514 C=COCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000039644 [0,2,0,0,0,0|0,0,2]=4 14707 B18R2.7514 C=COCCOc1ccc2ccccc2c1I 34a_100000041551_100000039644 [0,2,0,0,0,0|0,0,2]=4 14708 B18R2.7514 C=COCCOc1ccc2ccccc2c1I 7a_100000041551_100000039644 [0,2,0,0,0,0|0,0,2]=4 14709 B18R2.7514 C=COCCOc1ccc2ccccc2c1N 34a_100000007056_100000039644 [0,2,0,0,0,0|0,0,2]=4 14710 B18R2.7514 C=COCCOc1ccc2ccccc2c1N 7a_100000007056_100000039644 [0,2,0,0,0,0|0,0,2]=4 14711 B18R2.7514 CC#CCOCc1ccc2ccccc2c1Br 34a_100000761923_100009813938 [0,2,0,0,0,0|0,0,2]=4 14712 B18R2.7514 CC/C=C\CNc1ccc2ccccc2c1Br 34a_100000705303_100103147603 [0,2,0,0,0,0|1,0,1]=4 14713 B18R2.7514 CC/C=C\CNc1ccc2ccccc2c1Cl 34a_100000075557_100103147603 [0,2,0,0,0,0|1,0,1]=4 14714 B18R2.7514 CC/C=C\CNc1ccc2ccccc2c1O 34a_100000007060_100103147603 [0,2,0,0,0,0|1,0,1]=4 14715 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1Br 34a_100000183829_100103147603 [0,2,0,0,0,0|0,0,1]=3 14716 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1Br 7a_100000183829_100103147603 [0,2,0,0,0,0|0,0,1]=3 14717 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1C 34a_100009830054_100103147603 [0,2,0,0,0,0|0,0,1]=3 14718 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1C 7a_100009830054_100103147603 [0,2,0,0,0,0|0,0,1]=3 14719 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1Cl 34a_100000029778_100103147603 [0,2,0,0,0,0|0,0,1]=3 14720 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1Cl 7a_100000029778_100103147603 [0,2,0,0,0,0|0,0,1]=3 14721 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1I 34a_100000041551_100103147603 [0,2,0,0,0,0|0,0,1]=3 14722 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1I 7a_100000041551_100103147603 [0,2,0,0,0,0|0,0,1]=3 14723 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1N 34a_100000007056_100103147603 [0,2,0,0,0,0|0,0,1]=3 14724 B18R2.7514 CC/C=C\COc1ccc2ccccc2c1N 7a_100000007056_100103147603 [0,2,0,0,0,0|0,0,1]=3 14725 B18R2.7514 CC/C=C\COc1ccc2cccnc2c1Br 34a_100010173343_100103147603 [0,2,0,0,0,0|1,0,1]=4 14726 B18R2.7514 CC/C=C\COc1ccc2cccnc2c1Br 7a_100010173343_100103147603 [0,2,0,0,0,0|1,0,1]=4 14727 B18R2.7514 CC/C=C\COc1ccc2ccncc2c1Br 34a_200010115057_100103147603 [0,2,0,0,0,0|1,0,1]=4 14728 B18R2.7514 CC/C=C\COc1ccc2ccncc2c1Br 7a_200010115057_100103147603 [0,2,0,0,0,0|1,0,1]=4 14729 B18R2.7514 CC/C=C\COc1ccc2cnccc2c1Cl 34a_100009824633_100103147603 [0,2,0,0,0,0|1,0,1]=4 14730 B18R2.7514 CC/C=C\COc1ccc2cnccc2c1Cl 7a_100009824633_100103147603 [0,2,0,0,0,0|1,0,1]=4 14731 B18R2.7514 CC/C=C\CSc1ccc2ccccc2c1N 62a_100009817101_100103147603 [0,2,0,0,0,0|0,1,1]=4 14732 B18R2.7514 CC/C=C\CSc1ccc2ccccc2c1O 62a_100103147603_100009996032 [0,2,0,0,0,0|0,1,1]=4 14733 B18R2.7514 CCC#CCNc1ccc2ccccc2c1Br 34a_100000705303_100009813939 [0,2,0,0,0,0|1,0,1]=4 14734 B18R2.7514 CCC#CCNc1ccc2ccccc2c1Cl 34a_100000075557_100009813939 [0,2,0,0,0,0|1,0,1]=4 14735 B18R2.7514 CCC#CCNc1ccc2ccccc2c1O 34a_100000007060_100009813939 [0,2,0,0,0,0|1,0,1]=4 14736 B18R2.7514 CCC#CCOc1ccc2ccccc2c1Br 34a_100000183829_100009813939 [0,2,0,0,0,0|0,0,1]=3 14737 B18R2.7514 CCC#CCOc1ccc2ccccc2c1Br 7a_100000183829_100009813939 [0,2,0,0,0,0|0,0,1]=3 14738 B18R2.7514 CCC#CCOc1ccc2ccccc2c1C 34a_100009830054_100009813939 [0,2,0,0,0,0|0,0,1]=3 14739 B18R2.7514 CCC#CCOc1ccc2ccccc2c1C 7a_100009830054_100009813939 [0,2,0,0,0,0|0,0,1]=3 14740 B18R2.7514 CCC#CCOc1ccc2ccccc2c1Cl 34a_100000029778_100009813939 [0,2,0,0,0,0|0,0,1]=3 14741 B18R2.7514 CCC#CCOc1ccc2ccccc2c1Cl 7a_100000029778_100009813939 [0,2,0,0,0,0|0,0,1]=3 14742 B18R2.7514 CCC#CCOc1ccc2ccccc2c1I 34a_100000041551_100009813939 [0,2,0,0,0,0|0,0,1]=3 14743 B18R2.7514 CCC#CCOc1ccc2ccccc2c1I 7a_100000041551_100009813939 [0,2,0,0,0,0|0,0,1]=3 14744 B18R2.7514 CCC#CCOc1ccc2ccccc2c1N 34a_100000007056_100009813939 [0,2,0,0,0,0|0,0,1]=3 14745 B18R2.7514 CCC#CCOc1ccc2ccccc2c1N 7a_100000007056_100009813939 [0,2,0,0,0,0|0,0,1]=3 14746 B18R2.7514 CCC#CCOc1ccc2cccnc2c1Br 34a_100010173343_100009813939 [0,2,0,0,0,0|1,0,1]=4 14747 B18R2.7514 CCC#CCOc1ccc2cccnc2c1Br 7a_100010173343_100009813939 [0,2,0,0,0,0|1,0,1]=4 14748 B18R2.7514 CCC#CCOc1ccc2ccncc2c1Br 34a_200010115057_100009813939 [0,2,0,0,0,0|1,0,1]=4 14749 B18R2.7514 CCC#CCOc1ccc2ccncc2c1Br 7a_200010115057_100009813939 [0,2,0,0,0,0|1,0,1]=4 14750 B18R2.7514 CCC#CCOc1ccc2cnccc2c1Cl 34a_100009824633_100009813939 [0,2,0,0,0,0|1,0,1]=4 14751 B18R2.7514 CCC#CCOc1ccc2cnccc2c1Cl 7a_100009824633_100009813939 [0,2,0,0,0,0|1,0,1]=4 14752 B18R2.7514 CCC#CCSc1ccc2ccccc2c1C 62a_100009813939_100010221197 [0,2,0,0,0,0|0,1,1]=4 14753 B18R2.7514 CCC#CCSc1ccc2ccccc2c1C 62a_100010221197_100009813939 [0,2,0,0,0,0|0,1,1]=4 14754 B18R2.7514 CCC#CCSc1ccc2ccccc2c1F 62a_100009813939_100009832041 [0,2,0,0,0,0|0,1,1]=4 14755 B18R2.7514 CCC#CCSc1ccc2ccccc2c1F 62a_100009832041_100009813939 [0,2,0,0,0,0|0,1,1]=4 14756 B18R2.7514 CCC#CCSc1ccc2ccccc2c1N 62a_100009817101_100009813939 [0,2,0,0,0,0|0,1,1]=4 14757 B18R2.7514 CCC#CCSc1ccc2ccccc2c1O 62a_100009813939_100009996032 [0,2,0,0,0,0|0,1,1]=4 14758 B18R2.7514 CCCCC=Cc1c[nH]c2ccccc2c1=O 271570a_100016275911_100012339567 [0,2,0,0,0,0|2,0,0]=4 14759 B18R2.7514 CCCCC=Cc1ccc2ccccc2c1N 271570a_100016275911_100009817101 [0,2,0,0,0,0|1,0,0]=3 14760 B18R2.7514 CCCCC=Cc1ccc2ccccc2c1O 271570a_100016275911_100009996032 [0,2,0,0,0,0|1,0,0]=3 14761 B18R2.7514 CCCCC=Cc1ccc2cccnc2c1C 271570a_100016275911_100010214467 [0,2,0,0,0,0|2,0,0]=4 14762 B18R2.7514 CCCCC=Cc1ccc2cccnc2c1F 271570a_100016275911_100010751467 [0,2,0,0,0,0|2,0,0]=4 14763 B18R2.7514 CCCCC=Cc1ccc2cccnc2c1O 271570a_100016275911_100009816563 [0,2,0,0,0,0|2,0,0]=4 14764 B18R2.7514 CCCCC=Cc1ccc2cnccc2c1N 271570a_100016275911_100010191621 [0,2,0,0,0,0|2,0,0]=4 14765 B18R2.7514 CCCCC=Cc1ccc2ncccc2c1C 271570a_100016275911_200010137439 [0,2,0,0,0,0|2,0,0]=4 14766 B18R2.7514 CCCCC=Cc1ccc2ncccc2c1N 271570a_100016275911_200010235790 [0,2,0,0,0,0|2,0,0]=4 14767 B18R2.7514 CCCCC=Cc1cnc2ccccc2c1N 271570a_100016275911_100009995562 [0,2,0,0,0,0|2,0,0]=4 14768 B18R2.7514 CCCCC=Cc1coc2ccccc2c1=O 271570a_100016275911_100009813851 [0,2,0,0,0,0|2,0,0]=4 14769 B18R2.7514 CCCCC=Cc1ncc2ccccc2c1N 271570a_100016275911_100000087573 [0,2,0,0,0,0|2,0,0]=4 14770 B18R2.7514 CCCCCNc1ccc2ccccc2c1O 34a_100000007060_100000718602 [0,2,0,0,0,0|1,0,0]=3 14771 B18R2.7514 CCCCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000718602 [0,2,0,0,0,0|2,0,0]=4 14772 B18R2.7514 CCCCCNc1ccc2ncccc2c1Br 34a_200009995563_100000718602 [0,2,0,0,0,0|2,0,0]=4 14773 B18R2.7514 CCCCCOc1ccc2ccccc2c1C 34a_100009830054_100000718602 [0,2,0,0,0,0|0,0,0]=2 14774 B18R2.7514 CCCCCOc1ccc2ccccc2c1C 7a_100009830054_100000210326 [0,2,0,0,0,0|0,0,0]=2 14775 B18R2.7514 CCCCCOc1ccc2ccccc2c1N 34a_100000007056_100000718602 [0,2,0,0,0,0|0,0,0]=2 14776 B18R2.7514 CCCCCOc1ccc2ccccc2c1N 7a_100000007056_100000210326 [0,2,0,0,0,0|0,0,0]=2 14777 B18R2.7514 CCCCCOc1ccc2cccnc2c1Br 34a_100010173343_100000718602 [0,2,0,0,0,0|1,0,0]=3 14778 B18R2.7514 CCCCCOc1ccc2cccnc2c1Br 7a_100010173343_100000210326 [0,2,0,0,0,0|1,0,0]=3 14779 B18R2.7514 CCCCCOc1ccc2ccncc2c1Br 34a_200010115057_100000718602 [0,2,0,0,0,0|1,0,0]=3 14780 B18R2.7514 CCCCCOc1ccc2ccncc2c1Br 7a_200010115057_100000210326 [0,2,0,0,0,0|1,0,0]=3 14781 B18R2.7514 CCCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000718602 [0,2,0,0,0,0|1,0,0]=3 14782 B18R2.7514 CCCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210326 [0,2,0,0,0,0|1,0,0]=3 14783 B18R2.7514 CCCCCSc1c[nH]c2ccccc2c1=O 62a_100000210326_100012348052 [0,2,0,0,0,0|1,1,0]=4 14784 B18R2.7514 CCCCCSc1ccc2ccccc2c1N 62a_100009817101_100000210326 [0,2,0,0,0,0|0,1,0]=3 14785 B18R2.7514 CCCCCSc1ccc2ccccc2c1O 62a_100000210326_100009996032 [0,2,0,0,0,0|0,1,0]=3 14786 B18R2.7514 CCCCCSc1ccc2cccnc2c1C 62a_100000210326_100010214467 [0,2,0,0,0,0|1,1,0]=4 14787 B18R2.7514 CCCCCSc1ccc2cccnc2c1F 62a_100000210326_100010751467 [0,2,0,0,0,0|1,1,0]=4 14788 B18R2.7514 CCCCCSc1ccc2cccnc2c1F 62a_100010751467_100000210326 [0,2,0,0,0,0|1,1,0]=4 14789 B18R2.7514 CCCCCSc1ccc2cccnc2c1O 62a_100000210326_100009816563 [0,2,0,0,0,0|1,1,0]=4 14790 B18R2.7514 CCCCCSc1ccc2cnccc2c1N 62a_100000210326_100010191621 [0,2,0,0,0,0|1,1,0]=4 14791 B18R2.7514 CCCCCSc1ccc2cnccc2c1N 62a_100010191621_100000210326 [0,2,0,0,0,0|1,1,0]=4 14792 B18R2.7514 CCCCCSc1ccc2ncccc2c1C 62a_100000210326_200010137439 [0,2,0,0,0,0|1,1,0]=4 14793 B18R2.7514 CCCCCSc1ccc2ncccc2c1C 62a_200010137439_100000210326 [0,2,0,0,0,0|1,1,0]=4 14794 B18R2.7514 CCCCCSc1ccc2ncccc2c1N 62a_200010235790_100000210326 [0,2,0,0,0,0|1,1,0]=4 14795 B18R2.7514 CCCCCSc1cnc2ccccc2c1N 62a_100000210326_100009995562 [0,2,0,0,0,0|1,1,0]=4 14796 B18R2.7514 CCCCCSc1cnc2ccccc2c1N 62a_100009995562_100000210326 [0,2,0,0,0,0|1,1,0]=4 14797 B18R2.7514 CCCCCSc1coc2ccccc2c1=O 62a_100000210326_100009813851 [0,2,0,0,0,0|1,1,0]=4 14798 B18R2.7514 CCCCCSc1ncc2ccccc2c1N 62a_100000210326_100000087573 [0,2,0,0,0,0|1,1,0]=4 14799 B18R2.7514 CCCCCSc1ncc2ccccc2c1N 62a_100009995564_100000210326 [0,2,0,0,0,0|1,1,0]=4 14800 B18R2.7514 CCCCNCc1ccc2ccccc2c1Br 207a_100000102301_100009813496 [0,2,0,0,0,0|1,0,0]=3 14801 B18R2.7514 CCCCNCc1ccc2ccccc2c1Br 2230a_100000102301_100009813938 [0,2,0,0,0,0|1,0,0]=3 14802 B18R2.7514 CCCCNCc1ccc2ccccc2c1Br 270004a_100000102301_100009813496 [0,2,0,0,0,0|1,0,0]=3 14803 B18R2.7514 CCCCNCc1ccc2ccccc2c1Br 7a_106832991798_100009813938 [0,2,0,0,0,0|1,0,0]=3 14804 B18R2.7514 CCCCNCc1cnc2ccccc2c1Cl 270004a_100000102301_100000037458 [0,2,0,0,0,0|2,0,0]=4 14805 B18R2.7514 CCCCNCc1coc2ccccc2c1=O 270004a_100000102301_100000195500 [0,2,0,0,0,0|2,0,0]=4 14806 B18R2.7514 CCCCOCc1ccc2ccccc2c1Br 34a_100000210227_100009813938 [0,2,0,0,0,0|0,0,0]=2 14807 B18R2.7514 CCCCOCc1ccc2ccccc2c1Br 7a_100000210227_100009813938 [0,2,0,0,0,0|0,0,0]=2 14808 B18R2.7514 CCCNN=Cc1ccc2ccccc2c1Br 4a_100000740057_100009813496 [0,2,0,0,0,0|2,0,0]=4 14809 B18R2.7514 CCCNN=Cc1ccc2ccccc2c1O 4a_100000740057_100000724927 [0,2,0,0,0,0|2,0,0]=4 14810 B18R2.7514 CCOCCNc1ccc2ccccc2c1Br 34a_100000705303_100000210147 [0,2,0,0,0,0|1,0,0]=3 14811 B18R2.7514 CCOCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210147 [0,2,0,0,0,0|1,0,0]=3 14812 B18R2.7514 CCOCCNc1ccc2ccccc2c1O 34a_100000007060_100000210147 [0,2,0,0,0,0|1,0,0]=3 14813 B18R2.7514 CCOCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000210147 [0,2,0,0,0,0|2,0,0]=4 14814 B18R2.7514 CCOCCNc1ccc2ncccc2c1Br 34a_200009995563_100000210147 [0,2,0,0,0,0|2,0,0]=4 14815 B18R2.7514 CCOCCOc1ccc2ccccc2c1Br 34a_100000183829_100000210147 [0,2,0,0,0,0|0,0,0]=2 14816 B18R2.7514 CCOCCOc1ccc2ccccc2c1Br 7a_100000183829_100011215890 [0,2,0,0,0,0|0,0,0]=2 14817 B18R2.7514 CCOCCOc1ccc2ccccc2c1C 34a_100009830054_100000210147 [0,2,0,0,0,0|0,0,0]=2 14818 B18R2.7514 CCOCCOc1ccc2ccccc2c1C 7a_100009830054_100011215890 [0,2,0,0,0,0|0,0,0]=2 14819 B18R2.7514 CCOCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210147 [0,2,0,0,0,0|0,0,0]=2 14820 B18R2.7514 CCOCCOc1ccc2ccccc2c1Cl 7a_100000029778_100011215890 [0,2,0,0,0,0|0,0,0]=2 14821 B18R2.7514 CCOCCOc1ccc2ccccc2c1I 34a_100000041551_100000210147 [0,2,0,0,0,0|0,0,0]=2 14822 B18R2.7514 CCOCCOc1ccc2ccccc2c1I 7a_100000041551_100011215890 [0,2,0,0,0,0|0,0,0]=2 14823 B18R2.7514 CCOCCOc1ccc2ccccc2c1N 34a_100000007056_100000210147 [0,2,0,0,0,0|0,0,0]=2 14824 B18R2.7514 CCOCCOc1ccc2ccccc2c1N 7a_100000007056_100011215890 [0,2,0,0,0,0|0,0,0]=2 14825 B18R2.7514 CCOCCOc1ccc2cccnc2c1Br 34a_100010173343_100000210147 [0,2,0,0,0,0|1,0,0]=3 14826 B18R2.7514 CCOCCOc1ccc2cccnc2c1Br 7a_100010173343_100011215890 [0,2,0,0,0,0|1,0,0]=3 14827 B18R2.7514 CCOCCOc1ccc2ccncc2c1Br 34a_200010115057_100000210147 [0,2,0,0,0,0|1,0,0]=3 14828 B18R2.7514 CCOCCOc1ccc2ccncc2c1Br 7a_200010115057_100011215890 [0,2,0,0,0,0|1,0,0]=3 14829 B18R2.7514 CCOCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210147 [0,2,0,0,0,0|1,0,0]=3 14830 B18R2.7514 CCOCCOc1ccc2cnccc2c1Cl 7a_100009824633_100011215890 [0,2,0,0,0,0|1,0,0]=3 14831 B18R2.7514 CCOCCSc1c[nH]c2ccccc2c1=O 62a_100000210147_100012348052 [0,2,0,0,0,0|1,1,0]=4 14832 B18R2.7514 CCOCCSc1ccc2ccccc2c1Br 62a_100000210147_200010089984 [0,2,0,0,0,0|0,1,0]=3 14833 B18R2.7514 CCOCCSc1ccc2ccccc2c1Br 62a_200010089984_100011215890 [0,2,0,0,0,0|0,1,0]=3 14834 B18R2.7514 CCOCCSc1ccc2ccccc2c1C 62a_100000210147_100010221197 [0,2,0,0,0,0|0,1,0]=3 14835 B18R2.7514 CCOCCSc1ccc2ccccc2c1C 62a_100010221197_100011215890 [0,2,0,0,0,0|0,1,0]=3 14836 B18R2.7514 CCOCCSc1ccc2ccccc2c1F 62a_100000210147_100009832041 [0,2,0,0,0,0|0,1,0]=3 14837 B18R2.7514 CCOCCSc1ccc2ccccc2c1F 62a_100009832041_100011215890 [0,2,0,0,0,0|0,1,0]=3 14838 B18R2.7514 CCOCCSc1ccc2ccccc2c1N 62a_100009817101_100011215890 [0,2,0,0,0,0|0,1,0]=3 14839 B18R2.7514 CCOCCSc1ccc2ccccc2c1O 62a_100000210147_100009996032 [0,2,0,0,0,0|0,1,0]=3 14840 B18R2.7514 CCOCCSc1ccc2cccnc2c1C 62a_100000210147_100010214467 [0,2,0,0,0,0|1,1,0]=4 14841 B18R2.7514 CCOCCSc1ccc2cccnc2c1F 62a_100000210147_100010751467 [0,2,0,0,0,0|1,1,0]=4 14842 B18R2.7514 CCOCCSc1ccc2cccnc2c1F 62a_100010751467_100011215890 [0,2,0,0,0,0|1,1,0]=4 14843 B18R2.7514 CCOCCSc1ccc2cccnc2c1O 62a_100000210147_100009816563 [0,2,0,0,0,0|1,1,0]=4 14844 B18R2.7514 CCOCCSc1ccc2cnccc2c1N 62a_100000210147_100010191621 [0,2,0,0,0,0|1,1,0]=4 14845 B18R2.7514 CCOCCSc1ccc2cnccc2c1N 62a_100010191621_100011215890 [0,2,0,0,0,0|1,1,0]=4 14846 B18R2.7514 CCOCCSc1ccc2ncccc2c1C 62a_100000210147_200010137439 [0,2,0,0,0,0|1,1,0]=4 14847 B18R2.7514 CCOCCSc1ccc2ncccc2c1C 62a_200010137439_100011215890 [0,2,0,0,0,0|1,1,0]=4 14848 B18R2.7514 CCOCCSc1ccc2ncccc2c1N 62a_200010235790_100011215890 [0,2,0,0,0,0|1,1,0]=4 14849 B18R2.7514 CCOCCSc1cnc2ccccc2c1Cl 62a_100000210147_100012352519 [0,2,0,0,0,0|1,1,0]=4 14850 B18R2.7514 CCOCCSc1cnc2ccccc2c1N 62a_100000210147_100009995562 [0,2,0,0,0,0|1,1,0]=4 14851 B18R2.7514 CCOCCSc1cnc2ccccc2c1N 62a_100009995562_100011215890 [0,2,0,0,0,0|1,1,0]=4 14852 B18R2.7514 CCOCCSc1coc2ccccc2c1=O 62a_100000210147_100009813851 [0,2,0,0,0,0|1,1,0]=4 14853 B18R2.7514 CCOCCSc1ncc2ccccc2c1N 62a_100000210147_100000087573 [0,2,0,0,0,0|1,1,0]=4 14854 B18R2.7514 CCOCCSc1ncc2ccccc2c1N 62a_100009995564_100011215890 [0,2,0,0,0,0|1,1,0]=4 14855 B18R2.7514 CCOCSCc1ccc2ccccc2c1Br 62a_100000739092_100009813938 [0,2,0,0,0,0|1,1,0]=4 14856 B18R2.7514 CCOCSCc1ccc2ccccc2c1Br 62a_100009813938_100000739092 [0,2,0,0,0,0|1,1,0]=4 14857 B18R2.7514 CCSCCNc1ccc2ccccc2c1Br 34a_100000705303_100000757381 [0,2,0,0,0,0|1,0,0]=3 14858 B18R2.7514 CCSCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000757381 [0,2,0,0,0,0|1,0,0]=3 14859 B18R2.7514 CCSCCNc1ccc2ccccc2c1O 34a_100000007060_100000757381 [0,2,0,0,0,0|1,0,0]=3 14860 B18R2.7514 CCSCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000757381 [0,2,0,0,0,0|2,0,0]=4 14861 B18R2.7514 CCSCCNc1ccc2ncccc2c1Br 34a_200009995563_100000757381 [0,2,0,0,0,0|2,0,0]=4 14862 B18R2.7514 CCSCCOc1ccc2ccccc2c1Br 34a_100000183829_100000757381 [0,2,0,0,0,0|0,0,0]=2 14863 B18R2.7514 CCSCCOc1ccc2ccccc2c1Br 7a_100000183829_100000757381 [0,2,0,0,0,0|0,0,0]=2 14864 B18R2.7514 CCSCCOc1ccc2ccccc2c1C 34a_100009830054_100000757381 [0,2,0,0,0,0|0,0,0]=2 14865 B18R2.7514 CCSCCOc1ccc2ccccc2c1C 7a_100009830054_100000757381 [0,2,0,0,0,0|0,0,0]=2 14866 B18R2.7514 CCSCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000757381 [0,2,0,0,0,0|0,0,0]=2 14867 B18R2.7514 CCSCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000757381 [0,2,0,0,0,0|0,0,0]=2 14868 B18R2.7514 CCSCCOc1ccc2ccccc2c1I 34a_100000041551_100000757381 [0,2,0,0,0,0|0,0,0]=2 14869 B18R2.7514 CCSCCOc1ccc2ccccc2c1I 7a_100000041551_100000757381 [0,2,0,0,0,0|0,0,0]=2 14870 B18R2.7514 CCSCCOc1ccc2ccccc2c1N 34a_100000007056_100000757381 [0,2,0,0,0,0|0,0,0]=2 14871 B18R2.7514 CCSCCOc1ccc2ccccc2c1N 7a_100000007056_100000757381 [0,2,0,0,0,0|0,0,0]=2 14872 B18R2.7514 CCSCCOc1ccc2cccnc2c1Br 34a_100010173343_100000757381 [0,2,0,0,0,0|1,0,0]=3 14873 B18R2.7514 CCSCCOc1ccc2cccnc2c1Br 7a_100010173343_100000757381 [0,2,0,0,0,0|1,0,0]=3 14874 B18R2.7514 CCSCCOc1ccc2ccncc2c1Br 34a_200010115057_100000757381 [0,2,0,0,0,0|1,0,0]=3 14875 B18R2.7514 CCSCCOc1ccc2ccncc2c1Br 7a_200010115057_100000757381 [0,2,0,0,0,0|1,0,0]=3 14876 B18R2.7514 CCSCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000757381 [0,2,0,0,0,0|1,0,0]=3 14877 B18R2.7514 CCSCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000757381 [0,2,0,0,0,0|1,0,0]=3 14878 B18R2.7514 CCSCCSc1c[nH]c2ccccc2c1=O 62a_100000757381_100012348052 [0,2,0,0,0,0|1,1,0]=4 14879 B18R2.7514 CCSCCSc1ccc2ccccc2c1C 62a_100000757381_100010221197 [0,2,0,0,0,0|0,1,0]=3 14880 B18R2.7514 CCSCCSc1ccc2ccccc2c1C 62a_100010221197_100000757381 [0,2,0,0,0,0|0,1,0]=3 14881 B18R2.7514 CCSCCSc1ccc2ccccc2c1F 62a_100000757381_100009832041 [0,2,0,0,0,0|0,1,0]=3 14882 B18R2.7514 CCSCCSc1ccc2ccccc2c1F 62a_100009832041_100000757381 [0,2,0,0,0,0|0,1,0]=3 14883 B18R2.7514 CCSCCSc1ccc2ccccc2c1N 62a_100009817101_100000757381 [0,2,0,0,0,0|0,1,0]=3 14884 B18R2.7514 CCSCCSc1ccc2ccccc2c1O 62a_100000757381_100009996032 [0,2,0,0,0,0|0,1,0]=3 14885 B18R2.7514 CCSCCSc1ccc2cccnc2c1C 62a_100000757381_100010214467 [0,2,0,0,0,0|1,1,0]=4 14886 B18R2.7514 CCSCCSc1ccc2cccnc2c1F 62a_100000757381_100010751467 [0,2,0,0,0,0|1,1,0]=4 14887 B18R2.7514 CCSCCSc1ccc2cccnc2c1F 62a_100010751467_100000757381 [0,2,0,0,0,0|1,1,0]=4 14888 B18R2.7514 CCSCCSc1ccc2cccnc2c1O 62a_100000757381_100009816563 [0,2,0,0,0,0|1,1,0]=4 14889 B18R2.7514 CCSCCSc1ccc2cnccc2c1N 62a_100000757381_100010191621 [0,2,0,0,0,0|1,1,0]=4 14890 B18R2.7514 CCSCCSc1ccc2cnccc2c1N 62a_100010191621_100000757381 [0,2,0,0,0,0|1,1,0]=4 14891 B18R2.7514 CCSCCSc1ccc2ncccc2c1C 62a_100000757381_200010137439 [0,2,0,0,0,0|1,1,0]=4 14892 B18R2.7514 CCSCCSc1ccc2ncccc2c1C 62a_200010137439_100000757381 [0,2,0,0,0,0|1,1,0]=4 14893 B18R2.7514 CCSCCSc1ccc2ncccc2c1N 62a_200010235790_100000757381 [0,2,0,0,0,0|1,1,0]=4 14894 B18R2.7514 CCSCCSc1cnc2ccccc2c1Cl 62a_100000757381_100012352519 [0,2,0,0,0,0|1,1,0]=4 14895 B18R2.7514 CCSCCSc1cnc2ccccc2c1N 62a_100000757381_100009995562 [0,2,0,0,0,0|1,1,0]=4 14896 B18R2.7514 CCSCCSc1cnc2ccccc2c1N 62a_100009995562_100000757381 [0,2,0,0,0,0|1,1,0]=4 14897 B18R2.7514 CCSCCSc1coc2ccccc2c1=O 62a_100000757381_100009813851 [0,2,0,0,0,0|1,1,0]=4 14898 B18R2.7514 CCSCCSc1ncc2ccccc2c1N 62a_100000757381_100000087573 [0,2,0,0,0,0|1,1,0]=4 14899 B18R2.7514 CCSCCSc1ncc2ccccc2c1N 62a_100009995564_100000757381 [0,2,0,0,0,0|1,1,0]=4 14900 B18R2.7514 COCCCNc1ccc2ccccc2c1Br 34a_100000705303_100000740836 [0,2,0,0,0,0|1,0,0]=3 14901 B18R2.7514 COCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000740836 [0,2,0,0,0,0|1,0,0]=3 14902 B18R2.7514 COCCCNc1ccc2ccccc2c1O 34a_100000007060_100000740836 [0,2,0,0,0,0|1,0,0]=3 14903 B18R2.7514 COCCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000740836 [0,2,0,0,0,0|2,0,0]=4 14904 B18R2.7514 COCCCNc1ccc2ncccc2c1Br 34a_200009995563_100000740836 [0,2,0,0,0,0|2,0,0]=4 14905 B18R2.7514 COCCCOc1ccc2ccccc2c1Br 34a_100000183829_100000740836 [0,2,0,0,0,0|0,0,0]=2 14906 B18R2.7514 COCCCOc1ccc2ccccc2c1Br 7a_100000183829_100000740836 [0,2,0,0,0,0|0,0,0]=2 14907 B18R2.7514 COCCCOc1ccc2ccccc2c1C 34a_100009830054_100000740836 [0,2,0,0,0,0|0,0,0]=2 14908 B18R2.7514 COCCCOc1ccc2ccccc2c1C 7a_100009830054_100000740836 [0,2,0,0,0,0|0,0,0]=2 14909 B18R2.7514 COCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000740836 [0,2,0,0,0,0|0,0,0]=2 14910 B18R2.7514 COCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000740836 [0,2,0,0,0,0|0,0,0]=2 14911 B18R2.7514 COCCCOc1ccc2ccccc2c1I 34a_100000041551_100000740836 [0,2,0,0,0,0|0,0,0]=2 14912 B18R2.7514 COCCCOc1ccc2ccccc2c1I 7a_100000041551_100000740836 [0,2,0,0,0,0|0,0,0]=2 14913 B18R2.7514 COCCCOc1ccc2ccccc2c1N 34a_100000007056_100000740836 [0,2,0,0,0,0|0,0,0]=2 14914 B18R2.7514 COCCCOc1ccc2ccccc2c1N 7a_100000007056_100000740836 [0,2,0,0,0,0|0,0,0]=2 14915 B18R2.7514 COCCCOc1ccc2cccnc2c1Br 34a_100010173343_100000740836 [0,2,0,0,0,0|1,0,0]=3 14916 B18R2.7514 COCCCOc1ccc2cccnc2c1Br 7a_100010173343_100000740836 [0,2,0,0,0,0|1,0,0]=3 14917 B18R2.7514 COCCCOc1ccc2ccncc2c1Br 34a_200010115057_100000740836 [0,2,0,0,0,0|1,0,0]=3 14918 B18R2.7514 COCCCOc1ccc2ccncc2c1Br 7a_200010115057_100000740836 [0,2,0,0,0,0|1,0,0]=3 14919 B18R2.7514 COCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000740836 [0,2,0,0,0,0|1,0,0]=3 14920 B18R2.7514 COCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000740836 [0,2,0,0,0,0|1,0,0]=3 14921 B18R2.7514 COCCCSc1c[nH]c2ccccc2c1=O 62a_100000709357_100012348052 [0,2,0,0,0,0|1,1,0]=4 14922 B18R2.7514 COCCCSc1ccc2ccccc2c1Br 62a_100000709357_200010089984 [0,2,0,0,0,0|0,1,0]=3 14923 B18R2.7514 COCCCSc1ccc2ccccc2c1Br 62a_200010089984_100000709357 [0,2,0,0,0,0|0,1,0]=3 14924 B18R2.7514 COCCCSc1ccc2ccccc2c1C 62a_100000709357_100010221197 [0,2,0,0,0,0|0,1,0]=3 14925 B18R2.7514 COCCCSc1ccc2ccccc2c1C 62a_100010221197_100000709357 [0,2,0,0,0,0|0,1,0]=3 14926 B18R2.7514 COCCCSc1ccc2ccccc2c1F 62a_100000709357_100009832041 [0,2,0,0,0,0|0,1,0]=3 14927 B18R2.7514 COCCCSc1ccc2ccccc2c1F 62a_100009832041_100000709357 [0,2,0,0,0,0|0,1,0]=3 14928 B18R2.7514 COCCCSc1ccc2ccccc2c1N 62a_100009817101_100000709357 [0,2,0,0,0,0|0,1,0]=3 14929 B18R2.7514 COCCCSc1ccc2ccccc2c1O 62a_100000709357_100009996032 [0,2,0,0,0,0|0,1,0]=3 14930 B18R2.7514 COCCCSc1ccc2cccnc2c1C 62a_100000709357_100010214467 [0,2,0,0,0,0|1,1,0]=4 14931 B18R2.7514 COCCCSc1ccc2cccnc2c1F 62a_100000709357_100010751467 [0,2,0,0,0,0|1,1,0]=4 14932 B18R2.7514 COCCCSc1ccc2cccnc2c1F 62a_100010751467_100000709357 [0,2,0,0,0,0|1,1,0]=4 14933 B18R2.7514 COCCCSc1ccc2cccnc2c1O 62a_100000709357_100009816563 [0,2,0,0,0,0|1,1,0]=4 14934 B18R2.7514 COCCCSc1ccc2cnccc2c1N 62a_100000709357_100010191621 [0,2,0,0,0,0|1,1,0]=4 14935 B18R2.7514 COCCCSc1ccc2cnccc2c1N 62a_100010191621_100000709357 [0,2,0,0,0,0|1,1,0]=4 14936 B18R2.7514 COCCCSc1ccc2ncccc2c1C 62a_100000709357_200010137439 [0,2,0,0,0,0|1,1,0]=4 14937 B18R2.7514 COCCCSc1ccc2ncccc2c1C 62a_200010137439_100000709357 [0,2,0,0,0,0|1,1,0]=4 14938 B18R2.7514 COCCCSc1ccc2ncccc2c1N 62a_200010235790_100000709357 [0,2,0,0,0,0|1,1,0]=4 14939 B18R2.7514 COCCCSc1cnc2ccccc2c1Cl 62a_100000709357_100012352519 [0,2,0,0,0,0|1,1,0]=4 14940 B18R2.7514 COCCCSc1cnc2ccccc2c1N 62a_100000709357_100009995562 [0,2,0,0,0,0|1,1,0]=4 14941 B18R2.7514 COCCCSc1cnc2ccccc2c1N 62a_100009995562_100000709357 [0,2,0,0,0,0|1,1,0]=4 14942 B18R2.7514 COCCCSc1coc2ccccc2c1=O 62a_100000709357_100009813851 [0,2,0,0,0,0|1,1,0]=4 14943 B18R2.7514 COCCCSc1ncc2ccccc2c1N 62a_100000709357_100000087573 [0,2,0,0,0,0|1,1,0]=4 14944 B18R2.7514 COCCCSc1ncc2ccccc2c1N 62a_100009995564_100000709357 [0,2,0,0,0,0|1,1,0]=4 14945 B18R2.7514 COCCNCc1ccc2ccccc2c1Br 207a_100000209980_100009813496 [0,2,0,0,0,0|2,0,0]=4 14946 B18R2.7514 COCCNCc1ccc2ccccc2c1Br 2230a_100000209980_100009813938 [0,2,0,0,0,0|2,0,0]=4 14947 B18R2.7514 COCCNCc1ccc2ccccc2c1Br 270004a_100000209980_100009813496 [0,2,0,0,0,0|2,0,0]=4 14948 B18R2.7514 COCCOCc1ccc2ccccc2c1Br 34a_100000210237_100009813938 [0,2,0,0,0,0|1,0,0]=3 14949 B18R2.7514 COCCSCc1ccc2ccccc2c1Br 62a_100000233755_100009813938 [0,2,0,0,0,0|1,1,0]=4 14950 B18R2.7514 COCCSCc1ccc2ccccc2c1Br 62a_100009813938_100000233755 [0,2,0,0,0,0|1,1,0]=4 14951 B18R2.7514 CSCCNCc1ccc2ccccc2c1Br 207a_100020590264_100009813496 [0,2,0,0,0,0|2,0,0]=4 14952 B18R2.7514 CSCCNCc1ccc2ccccc2c1Br 2230a_100020590264_100009813938 [0,2,0,0,0,0|2,0,0]=4 14953 B18R2.7514 CSCCNCc1ccc2ccccc2c1Br 270004a_100020590264_100009813496 [0,2,0,0,0,0|2,0,0]=4 14954 B18R2.7514 CSCCOCc1ccc2ccccc2c1Br 34a_100000230434_100009813938 [0,2,0,0,0,0|1,0,0]=3 14955 B18R2.7514 CSCCOCc1ccc2ccccc2c1Br 7a_100000230434_100009813938 [0,2,0,0,0,0|1,0,0]=3 14956 B18R2.7514 Cc1c(ccc2c1cccc2)OCC#CCO 34a_100009830054_200000047223 [0,2,0,0,0,0|0,0,2]=4 14957 B18R2.7514 Cc1c(ccc2c1cccc2)OCC#CCO 7a_100009830054_200000047223 [0,2,0,0,0,0|0,0,2]=4 14958 B18R2.7514 Cc1c(ccc2c1cccc2)OCCCC#N 7a_100009830054_100000687738 [0,2,0,0,0,0|0,0,1]=3 14959 B18R2.7514 Cc1c(ccc2c1cccc2)OCCCC=O 7a_100009830054_200011292268 [0,2,0,0,0,0|0,0,1]=3 14960 B18R2.7514 Cc1c(ccc2c1cccc2)OCCCCF 34a_100009830054_100000729493 [0,2,0,0,0,0|0,0,0]=2 14961 B18R2.7514 Cc1c(ccc2c1cccc2)OCCCCF 7a_100009830054_100000729493 [0,2,0,0,0,0|0,0,0]=2 14962 B18R2.7514 Cc1c(ccc2c1cccc2)OCCCCO 34a_100009830054_100011216708 [0,2,0,0,0,0|0,0,0]=2 14963 B18R2.7514 Cc1c(ccc2c1cccc2)OCCCCO 7a_100009830054_100000210776 [0,2,0,0,0,0|0,0,0]=2 14964 B18R2.7514 Cc1c(ccc2c1cccc2)SCCCC#N 62a_100000687738_100010221197 [0,2,0,0,0,0|0,1,1]=4 14965 B18R2.7514 Cc1c(ccc2c1cccc2)SCCCC#N 62a_100010221197_100000687738 [0,2,0,0,0,0|0,1,1]=4 14966 B18R2.7514 Cc1c(ccc2c1cccc2)SCCCC=O 62a_100010221197_200011292268 [0,2,0,0,0,0|0,1,1]=4 14967 B18R2.7514 Cc1c(ccc2c1cccc2)SCCCC=O 62a_200011292268_100010221197 [0,2,0,0,0,0|0,1,1]=4 14968 B18R2.7514 Cc1c(ccc2c1cccc2)SCCCCF 62a_100000729493_100010221197 [0,2,0,0,0,0|0,1,0]=3 14969 B18R2.7514 Cc1c(ccc2c1cccc2)SCCCCF 62a_100010221197_100000729493 [0,2,0,0,0,0|0,1,0]=3 14970 B18R2.7514 Cc1c(ccc2c1cccc2)SCCCCO 62a_100000210776_100010221197 [0,2,0,0,0,0|0,1,0]=3 14971 B18R2.7514 Cc1c(ccc2c1cccc2)SCCCCO 62a_100010221197_100000210776 [0,2,0,0,0,0|0,1,0]=3 14972 B18R2.7514 Cc1c(ccc2c1cccn2)SCCCCF 62a_100000729493_200010137439 [0,2,0,0,0,0|1,1,0]=4 14973 B18R2.7514 Cc1c(ccc2c1cccn2)SCCCCF 62a_200010137439_100000729493 [0,2,0,0,0,0|1,1,0]=4 14974 B18R2.7514 Cc1c(ccc2c1cccn2)SCCCCO 62a_100000210776_200010137439 [0,2,0,0,0,0|1,1,0]=4 14975 B18R2.7514 Cc1c(ccc2c1cccn2)SCCCCO 62a_200010137439_100000210776 [0,2,0,0,0,0|1,1,0]=4 14976 B18R2.7514 Cc1c(ccc2c1nccc2)SCCCCF 62a_100000729493_100010214467 [0,2,0,0,0,0|1,1,0]=4 14977 B18R2.7514 Cc1c(ccc2c1nccc2)SCCCCO 62a_100000210776_100010214467 [0,2,0,0,0,0|1,1,0]=4 14978 B18R2.7514 ClCCCOCc1ccc2ccccc2c1Br 34a_100000230001_100009813938 [0,2,0,0,0,0|1,0,0]=3 14979 B18R2.7514 FCCCCNc1ccc2ccccc2c1Br 34a_100000705303_100000729493 [0,2,0,0,0,0|1,0,0]=3 14980 B18R2.7514 FCCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000729493 [0,2,0,0,0,0|1,0,0]=3 14981 B18R2.7514 FCCCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000729493 [0,2,0,0,0,0|2,0,0]=4 14982 B18R2.7514 FCCCCNc1ccc2ncccc2c1Br 34a_200009995563_100000729493 [0,2,0,0,0,0|2,0,0]=4 14983 B18R2.7514 FCCCCOc1ccc2ccccc2c1Br 34a_100000183829_100000729493 [0,2,0,0,0,0|0,0,0]=2 14984 B18R2.7514 FCCCCOc1ccc2ccccc2c1Br 7a_100000183829_100000729493 [0,2,0,0,0,0|0,0,0]=2 14985 B18R2.7514 FCCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000729493 [0,2,0,0,0,0|0,0,0]=2 14986 B18R2.7514 FCCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000729493 [0,2,0,0,0,0|0,0,0]=2 14987 B18R2.7514 FCCCCOc1ccc2ccccc2c1I 34a_100000041551_100000729493 [0,2,0,0,0,0|0,0,0]=2 14988 B18R2.7514 FCCCCOc1ccc2ccccc2c1I 7a_100000041551_100000729493 [0,2,0,0,0,0|0,0,0]=2 14989 B18R2.7514 FCCCCOc1ccc2cccnc2c1Br 34a_100010173343_100000729493 [0,2,0,0,0,0|1,0,0]=3 14990 B18R2.7514 FCCCCOc1ccc2cccnc2c1Br 7a_100010173343_100000729493 [0,2,0,0,0,0|1,0,0]=3 14991 B18R2.7514 FCCCCOc1ccc2ccncc2c1Br 34a_200010115057_100000729493 [0,2,0,0,0,0|1,0,0]=3 14992 B18R2.7514 FCCCCOc1ccc2ccncc2c1Br 7a_200010115057_100000729493 [0,2,0,0,0,0|1,0,0]=3 14993 B18R2.7514 FCCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100000729493 [0,2,0,0,0,0|1,0,0]=3 14994 B18R2.7514 FCCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000729493 [0,2,0,0,0,0|1,0,0]=3 14995 B18R2.7514 FCCCCSc1ccc2ccccc2c1F 62a_100000729493_100009832041 [0,2,0,0,0,0|0,1,0]=3 14996 B18R2.7514 FCCCCSc1ccc2ccccc2c1F 62a_100009832041_100000729493 [0,2,0,0,0,0|0,1,0]=3 14997 B18R2.7514 FCCCCSc1ccc2cccnc2c1F 62a_100000729493_100010751467 [0,2,0,0,0,0|1,1,0]=4 14998 B18R2.7514 FCCCCSc1ccc2cccnc2c1F 62a_100010751467_100000729493 [0,2,0,0,0,0|1,1,0]=4 14999 B18R2.7514 FCCCCSc1cnc2ccccc2c1Cl 62a_100000729493_100012352519 [0,2,0,0,0,0|1,1,0]=4 15000 B18R2.7514 FCCCNCc1ccc2ccccc2c1Br 207a_100015189416_100009813496 [0,2,0,0,0,0|2,0,0]=4 15001 B18R2.7514 FCCCNCc1ccc2ccccc2c1Br 2230a_100015189416_100009813938 [0,2,0,0,0,0|2,0,0]=4 15002 B18R2.7514 FCCCNCc1ccc2ccccc2c1Br 270004a_100015189416_100009813496 [0,2,0,0,0,0|2,0,0]=4 15003 B18R2.7514 FCCCNCc1ccc2ccccc2c1Br 34a_100015189416_100009813938 [0,2,0,0,0,0|2,0,0]=4 15004 B18R2.7514 FCCCOCc1ccc2ccccc2c1Br 34a_100000759539_100009813938 [0,2,0,0,0,0|1,0,0]=3 15005 B18R2.7514 N#CCCCOc1ccc2ccccc2c1Br 7a_100000183829_100000687738 [0,2,0,0,0,0|0,0,1]=3 15006 B18R2.7514 N#CCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000687738 [0,2,0,0,0,0|0,0,1]=3 15007 B18R2.7514 N#CCCCOc1ccc2ccccc2c1I 7a_100000041551_100000687738 [0,2,0,0,0,0|0,0,1]=3 15008 B18R2.7514 N#CCCCOc1ccc2ccccc2c1N 7a_100000007056_100000687738 [0,2,0,0,0,0|0,0,1]=3 15009 B18R2.7514 N#CCCCOc1ccc2cccnc2c1Br 7a_100010173343_100000687738 [0,2,0,0,0,0|1,0,1]=4 15010 B18R2.7514 N#CCCCOc1ccc2ccncc2c1Br 7a_200010115057_100000687738 [0,2,0,0,0,0|1,0,1]=4 15011 B18R2.7514 N#CCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000687738 [0,2,0,0,0,0|1,0,1]=4 15012 B18R2.7514 N#CCCCSc1ccc2ccccc2c1F 62a_100000687738_100009832041 [0,2,0,0,0,0|0,1,1]=4 15013 B18R2.7514 N#CCCCSc1ccc2ccccc2c1F 62a_100009832041_100000687738 [0,2,0,0,0,0|0,1,1]=4 15014 B18R2.7514 N#CCCCSc1ccc2ccccc2c1N 62a_100009817101_100000687738 [0,2,0,0,0,0|0,1,1]=4 15015 B18R2.7514 N#CCCCSc1ccc2ccccc2c1O 62a_100000687738_100009996032 [0,2,0,0,0,0|0,1,1]=4 15016 B18R2.7514 NCCCOCc1ccc2ccccc2c1Br 34a_100000182051_100009813938 [0,2,0,0,0,0|1,0,0]=3 15017 B18R2.7514 NOCCOCc1ccc2ccccc2c1Br 34a_100000700252_100009813938 [0,2,0,0,0,0|2,0,0]=4 15018 B18R2.7514 Nc1c(ccc2c1cccc2)OCC#CCO 34a_100000007056_200000047223 [0,2,0,0,0,0|0,0,2]=4 15019 B18R2.7514 Nc1c(ccc2c1cccc2)OCC#CCO 7a_100000007056_200000047223 [0,2,0,0,0,0|0,0,2]=4 15020 B18R2.7514 Nc1c(ccc2c1cccc2)OCCCC=O 7a_100000007056_200011292268 [0,2,0,0,0,0|0,0,1]=3 15021 B18R2.7514 Nc1c(ccc2c1cccc2)OCCCCF 34a_100000007056_100000729493 [0,2,0,0,0,0|0,0,0]=2 15022 B18R2.7514 Nc1c(ccc2c1cccc2)OCCCCF 7a_100000007056_100000729493 [0,2,0,0,0,0|0,0,0]=2 15023 B18R2.7514 Nc1c(ccc2c1cccc2)OCCCCO 34a_100000007056_100011216708 [0,2,0,0,0,0|0,0,0]=2 15024 B18R2.7514 Nc1c(ccc2c1cccc2)OCCCCO 7a_100000007056_100000210776 [0,2,0,0,0,0|0,0,0]=2 15025 B18R2.7514 Nc1c(ccc2c1cccc2)SCCCC=O 62a_100009817101_200011292268 [0,2,0,0,0,0|0,1,1]=4 15026 B18R2.7514 Nc1c(ccc2c1cccc2)SCCCCF 62a_100009817101_100000729493 [0,2,0,0,0,0|0,1,0]=3 15027 B18R2.7514 Nc1c(ccc2c1cccc2)SCCCCO 62a_100009817101_100000210776 [0,2,0,0,0,0|0,1,0]=3 15028 B18R2.7514 Nc1c(ccc2c1cccn2)SCCCCF 62a_200010235790_100000729493 [0,2,0,0,0,0|1,1,0]=4 15029 B18R2.7514 Nc1c(ccc2c1cccn2)SCCCCO 62a_200010235790_100000210776 [0,2,0,0,0,0|1,1,0]=4 15030 B18R2.7514 Nc1c(ccc2c1ccnc2)SCCCCF 62a_100000729493_100010191621 [0,2,0,0,0,0|1,1,0]=4 15031 B18R2.7514 Nc1c(ccc2c1ccnc2)SCCCCF 62a_100010191621_100000729493 [0,2,0,0,0,0|1,1,0]=4 15032 B18R2.7514 Nc1c(ccc2c1ccnc2)SCCCCO 62a_100000210776_100010191621 [0,2,0,0,0,0|1,1,0]=4 15033 B18R2.7514 Nc1c(ccc2c1ccnc2)SCCCCO 62a_100010191621_100000210776 [0,2,0,0,0,0|1,1,0]=4 15034 B18R2.7514 Nc1c(cnc2c1cccc2)SCCCCF 62a_100000729493_100009995562 [0,2,0,0,0,0|1,1,0]=4 15035 B18R2.7514 Nc1c(cnc2c1cccc2)SCCCCF 62a_100009995562_100000729493 [0,2,0,0,0,0|1,1,0]=4 15036 B18R2.7514 Nc1c(cnc2c1cccc2)SCCCCO 62a_100000210776_100009995562 [0,2,0,0,0,0|1,1,0]=4 15037 B18R2.7514 Nc1c(cnc2c1cccc2)SCCCCO 62a_100009995562_100000210776 [0,2,0,0,0,0|1,1,0]=4 15038 B18R2.7514 Nc1c(ncc2c1cccc2)SCCCCF 62a_100000729493_100000087573 [0,2,0,0,0,0|1,1,0]=4 15039 B18R2.7514 Nc1c(ncc2c1cccc2)SCCCCF 62a_100009995564_100000729493 [0,2,0,0,0,0|1,1,0]=4 15040 B18R2.7514 Nc1c(ncc2c1cccc2)SCCCCO 62a_100000210776_100000087573 [0,2,0,0,0,0|1,1,0]=4 15041 B18R2.7514 Nc1c(ncc2c1cccc2)SCCCCO 62a_100009995564_100000210776 [0,2,0,0,0,0|1,1,0]=4 15042 B18R2.7514 O=CCCCOc1ccc2ccccc2c1Br 7a_100000183829_200011292268 [0,2,0,0,0,0|0,0,1]=3 15043 B18R2.7514 O=CCCCOc1ccc2ccccc2c1Cl 7a_100000029778_200011292268 [0,2,0,0,0,0|0,0,1]=3 15044 B18R2.7514 O=CCCCOc1ccc2ccccc2c1I 7a_100000041551_200011292268 [0,2,0,0,0,0|0,0,1]=3 15045 B18R2.7514 O=CCCCOc1ccc2cccnc2c1Br 7a_100010173343_200011292268 [0,2,0,0,0,0|1,0,1]=4 15046 B18R2.7514 O=CCCCOc1ccc2ccncc2c1Br 7a_200010115057_200011292268 [0,2,0,0,0,0|1,0,1]=4 15047 B18R2.7514 O=CCCCOc1ccc2cnccc2c1Cl 7a_100009824633_200011292268 [0,2,0,0,0,0|1,0,1]=4 15048 B18R2.7514 O=CCCCSc1ccc2ccccc2c1Br 62a_200010089984_200011292268 [0,2,0,0,0,0|0,1,1]=4 15049 B18R2.7514 O=CCCCSc1ccc2ccccc2c1Br 62a_200011292268_200010089984 [0,2,0,0,0,0|0,1,1]=4 15050 B18R2.7514 O=CCCCSc1ccc2ccccc2c1F 62a_100009832041_200011292268 [0,2,0,0,0,0|0,1,1]=4 15051 B18R2.7514 O=CCCCSc1ccc2ccccc2c1F 62a_200011292268_100009832041 [0,2,0,0,0,0|0,1,1]=4 15052 B18R2.7514 O=CCCCSc1ccc2ccccc2c1O 62a_200011292268_100009996032 [0,2,0,0,0,0|0,1,1]=4 15053 B18R2.7514 O=c1c(c[nH]c2c1cccc2)SCCCCF 62a_100000729493_100012348052 [0,2,0,0,0,0|1,1,0]=4 15054 B18R2.7514 O=c1c(c[nH]c2c1cccc2)SCCCCO 62a_100000210776_100012348052 [0,2,0,0,0,0|1,1,0]=4 15055 B18R2.7514 O=c1c(coc2c1cccc2)SCCCCF 62a_100000729493_100009813851 [0,2,0,0,0,0|1,1,0]=4 15056 B18R2.7514 O=c1c(coc2c1cccc2)SCCCCO 62a_100000210776_100009813851 [0,2,0,0,0,0|1,1,0]=4 15057 B18R2.7514 OCC#CCOc1ccc2ccccc2c1Br 34a_100000183829_200000047223 [0,2,0,0,0,0|0,0,2]=4 15058 B18R2.7514 OCC#CCOc1ccc2ccccc2c1Br 7a_100000183829_200000047223 [0,2,0,0,0,0|0,0,2]=4 15059 B18R2.7514 OCC#CCOc1ccc2ccccc2c1Cl 34a_100000029778_200000047223 [0,2,0,0,0,0|0,0,2]=4 15060 B18R2.7514 OCC#CCOc1ccc2ccccc2c1Cl 7a_100000029778_200000047223 [0,2,0,0,0,0|0,0,2]=4 15061 B18R2.7514 OCC#CCOc1ccc2ccccc2c1I 34a_100000041551_200000047223 [0,2,0,0,0,0|0,0,2]=4 15062 B18R2.7514 OCC#CCOc1ccc2ccccc2c1I 7a_100000041551_200000047223 [0,2,0,0,0,0|0,0,2]=4 15063 B18R2.7514 OCCCCNc1ccc2ccccc2c1Br 34a_100000705303_100011216708 [0,2,0,0,0,0|1,0,0]=3 15064 B18R2.7514 OCCCCNc1ccc2ccccc2c1Cl 34a_100000075557_100011216708 [0,2,0,0,0,0|1,0,0]=3 15065 B18R2.7514 OCCCCNc1ccc2ccccc2c1O 34a_100000007060_100011216708 [0,2,0,0,0,0|1,0,0]=3 15066 B18R2.7514 OCCCCNc1ccc2cnccc2c1Cl 34a_100009851981_100011216708 [0,2,0,0,0,0|2,0,0]=4 15067 B18R2.7514 OCCCCNc1ccc2ncccc2c1Br 34a_200009995563_100011216708 [0,2,0,0,0,0|2,0,0]=4 15068 B18R2.7514 OCCCCOc1ccc2ccccc2c1Br 34a_100000183829_100011216708 [0,2,0,0,0,0|0,0,0]=2 15069 B18R2.7514 OCCCCOc1ccc2ccccc2c1Br 7a_100000183829_100000210776 [0,2,0,0,0,0|0,0,0]=2 15070 B18R2.7514 OCCCCOc1ccc2ccccc2c1Cl 34a_100000029778_100011216708 [0,2,0,0,0,0|0,0,0]=2 15071 B18R2.7514 OCCCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210776 [0,2,0,0,0,0|0,0,0]=2 15072 B18R2.7514 OCCCCOc1ccc2ccccc2c1I 34a_100000041551_100011216708 [0,2,0,0,0,0|0,0,0]=2 15073 B18R2.7514 OCCCCOc1ccc2ccccc2c1I 7a_100000041551_100000210776 [0,2,0,0,0,0|0,0,0]=2 15074 B18R2.7514 OCCCCOc1ccc2cccnc2c1Br 34a_100010173343_100011216708 [0,2,0,0,0,0|1,0,0]=3 15075 B18R2.7514 OCCCCOc1ccc2cccnc2c1Br 7a_100010173343_100000210776 [0,2,0,0,0,0|1,0,0]=3 15076 B18R2.7514 OCCCCOc1ccc2ccncc2c1Br 34a_200010115057_100011216708 [0,2,0,0,0,0|1,0,0]=3 15077 B18R2.7514 OCCCCOc1ccc2ccncc2c1Br 7a_200010115057_100000210776 [0,2,0,0,0,0|1,0,0]=3 15078 B18R2.7514 OCCCCOc1ccc2cnccc2c1Cl 34a_100009824633_100011216708 [0,2,0,0,0,0|1,0,0]=3 15079 B18R2.7514 OCCCCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210776 [0,2,0,0,0,0|1,0,0]=3 15080 B18R2.7514 OCCCCSc1ccc2ccccc2c1Br 62a_100000210776_200010089984 [0,2,0,0,0,0|0,1,0]=3 15081 B18R2.7514 OCCCCSc1ccc2ccccc2c1Br 62a_200010089984_100000210776 [0,2,0,0,0,0|0,1,0]=3 15082 B18R2.7514 OCCCCSc1ccc2ccccc2c1F 62a_100000210776_100009832041 [0,2,0,0,0,0|0,1,0]=3 15083 B18R2.7514 OCCCCSc1ccc2ccccc2c1F 62a_100009832041_100000210776 [0,2,0,0,0,0|0,1,0]=3 15084 B18R2.7514 OCCCCSc1ccc2ccccc2c1O 62a_100000210776_100009996032 [0,2,0,0,0,0|0,1,0]=3 15085 B18R2.7514 OCCCCSc1ccc2cccnc2c1F 62a_100000210776_100010751467 [0,2,0,0,0,0|1,1,0]=4 15086 B18R2.7514 OCCCCSc1ccc2cccnc2c1F 62a_100010751467_100000210776 [0,2,0,0,0,0|1,1,0]=4 15087 B18R2.7514 OCCCCSc1ccc2cccnc2c1O 62a_100000210776_100009816563 [0,2,0,0,0,0|1,1,0]=4 15088 B18R2.7514 OCCCCSc1cnc2ccccc2c1Cl 62a_100000210776_100012352519 [0,2,0,0,0,0|1,1,0]=4 15089 B18R2.7514 OCCCNCc1ccc2ccccc2c1Br 207a_100000182051_100009813496 [0,2,0,0,0,0|2,0,0]=4 15090 B18R2.7514 OCCCNCc1ccc2ccccc2c1Br 270004a_100000182051_100009813496 [0,2,0,0,0,0|2,0,0]=4 15091 B18R2.7514 OCCCSCc1ccc2ccccc2c1Br 62a_100009813938_100011215043 [0,2,0,0,0,0|1,1,0]=4 15092 B18R2.7514 OCCCSCc1ccc2ccccc2c1Br 62a_100011215043_100009813938 [0,2,0,0,0,0|1,1,0]=4 15093 B18R2.7514 Oc1c(ccc2c1cccc2)NCCCCF 34a_100000007060_100000729493 [0,2,0,0,0,0|1,0,0]=3 15094 B18R2.7514 Oc1c(ccc2c1cccc2)SCCCCF 62a_100000729493_100009996032 [0,2,0,0,0,0|0,1,0]=3 15095 B18R2.7514 Oc1c(ccc2c1nccc2)SCCCCF 62a_100000729493_100009816563 [0,2,0,0,0,0|1,1,0]=4 15096 B18R2.15021 CCCCSc1c(c2ccccc2oc1=O)O 62a_100000210211_100009994742 [0,2,0,0,0,0|1,1,0]=4 15097 B18R2.15021 CCCCSc1c(cc2ncccc2c1F)F 62a_100000210211_100010163946 [0,2,0,0,0,0|1,1,0]=4 15098 B18R2.15021 CCCCSc1c(cc2ncccc2c1F)F 62a_100010163946_100000210210 [0,2,0,0,0,0|1,1,0]=4 15099 B18R2.15021 CCCCSc1c(nc2ccccc2c1C)O 62a_100000210211_100009820873 [0,2,0,0,0,0|1,1,0]=4 15100 B18R2.122269 C#CCCOc1ccc2cc(ccc2c1Br)Br 34a_100009812206_100000688953 [0,2,0,0,0,0|0,0,2]=4 15101 B18R2.122269 C#CCCOc1ccc2cc(ccc2c1Br)Br 7a_100009812206_100000688953 [0,2,0,0,0,0|0,0,2]=4 15102 B18R2.122269 C#CCCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000688953 [0,2,0,0,0,0|0,0,2]=4 15103 B18R2.122269 C#CCCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000688953 [0,2,0,0,0,0|0,0,2]=4 15104 B18R2.122269 C/C=C/COc1ccc2cc(ccc2c1F)Br 34a_100010730138_100102629194 [0,2,0,0,0,0|0,0,2]=4 15105 B18R2.122269 C/C=C/COc1ccc2cc(ccc2c1F)Br 7a_100010730138_100102629194 [0,2,0,0,0,0|0,0,2]=4 15106 B18R2.122269 C=CCCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000754431 [0,2,0,0,0,0|0,0,2]=4 15107 B18R2.122269 C=CCCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000754431 [0,2,0,0,0,0|0,0,2]=4 15108 B18R2.122269 CC#CCOc1ccc2cc(ccc2c1Br)Br 34a_100009812206_100000748600 [0,2,0,0,0,0|0,0,2]=4 15109 B18R2.122269 CC#CCOc1ccc2cc(ccc2c1Br)Br 7a_100009812206_100000748600 [0,2,0,0,0,0|0,0,2]=4 15110 B18R2.122269 CC#CCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000748600 [0,2,0,0,0,0|0,0,2]=4 15111 B18R2.122269 CC#CCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000748600 [0,2,0,0,0,0|0,0,2]=4 15112 B18R2.122269 CC=CCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000070051 [0,2,0,0,0,0|0,0,2]=4 15113 B18R2.122269 CC=CCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000070051 [0,2,0,0,0,0|0,0,2]=4 15114 B18R2.122269 CCCCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000210210 [0,2,0,0,0,0|0,0,0]=2 15115 B18R2.122269 CCCCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000210211 [0,2,0,0,0,0|0,0,0]=2 15116 B18R2.122269 CCCCOc1ccc2nc(ccc2c1Br)C 34a_100010269489_100000210210 [0,2,0,0,0,0|1,0,0]=3 15117 B18R2.122269 CCCCOc1ccc2nc(ccc2c1Br)C 7a_100010269489_100000210211 [0,2,0,0,0,0|1,0,0]=3 15118 B18R2.122269 COCCOc1ccc2cc(ccc2c1Br)Br 34a_100009812206_100011201679 [0,2,0,0,0,0|1,0,0]=3 15119 B18R2.122269 COCCOc1ccc2cc(ccc2c1Br)Br 7a_100009812206_100000233755 [0,2,0,0,0,0|1,0,0]=3 15120 B18R2.122269 COCCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100011201679 [0,2,0,0,0,0|1,0,0]=3 15121 B18R2.122269 COCCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000233755 [0,2,0,0,0,0|1,0,0]=3 15122 B18R2.122269 COCCOc1ccc2nc(ccc2c1Br)C 34a_100010269489_100011201679 [0,2,0,0,0,0|2,0,0]=4 15123 B18R2.122269 COCCOc1ccc2nc(ccc2c1Br)C 7a_100010269489_100000233755 [0,2,0,0,0,0|2,0,0]=4 15124 B18R2.122269 CSCCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000212216 [0,2,0,0,0,0|1,0,0]=3 15125 B18R2.122269 CSCCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000212216 [0,2,0,0,0,0|1,0,0]=3 15126 B18R2.122269 CSCCOc1ccc2nc(ccc2c1Br)C 34a_100010269489_100000212216 [0,2,0,0,0,0|2,0,0]=4 15127 B18R2.122269 CSCCOc1ccc2nc(ccc2c1Br)C 7a_100010269489_100000212216 [0,2,0,0,0,0|2,0,0]=4 15128 B18R2.122269 Cc1ccc2c(c(ccc2n1)OCCCF)Br 34a_100010269489_100011934791 [0,2,0,0,0,0|2,0,0]=4 15129 B18R2.122269 Cc1ccc2c(c(ccc2n1)OCCCF)Br 7a_100010269489_100011934791 [0,2,0,0,0,0|2,0,0]=4 15130 B18R2.122269 Cc1ccc2c(c(ccc2n1)OCCCO)Br 34a_100010269489_100000230001 [0,2,0,0,0,0|2,0,0]=4 15131 B18R2.122269 Cc1ccc2c(c(ccc2n1)OCCCO)Br 7a_100010269489_100011215043 [0,2,0,0,0,0|2,0,0]=4 15132 B18R2.122269 FCCCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100011934791 [0,2,0,0,0,0|1,0,0]=3 15133 B18R2.122269 FCCCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100011934791 [0,2,0,0,0,0|1,0,0]=3 15134 B18R2.122269 N#CCCOc1ccc2cc(ccc2c1Br)Br 7a_100009812206_100000184422 [0,2,0,0,0,0|1,0,1]=4 15135 B18R2.122269 N#CCCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100000184422 [0,2,0,0,0,0|1,0,1]=4 15136 B18R2.122269 OCCCOc1ccc2cc(ccc2c1Br)Br 34a_100009812206_100000230001 [0,2,0,0,0,0|1,0,0]=3 15137 B18R2.122269 OCCCOc1ccc2cc(ccc2c1Br)Br 7a_100009812206_100011215043 [0,2,0,0,0,0|1,0,0]=3 15138 B18R2.122269 OCCCOc1ccc2cc(ccc2c1F)Br 34a_100010730138_100000230001 [0,2,0,0,0,0|1,0,0]=3 15139 B18R2.122269 OCCCOc1ccc2cc(ccc2c1F)Br 7a_100010730138_100011215043 [0,2,0,0,0,0|1,0,0]=3 15140 B18R2.122302 C#CCCOc1ccc2ccccc2c1N=O 34a_100000212102_100000688953 [0,2,0,0,0,0|0,0,2]=4 15141 B18R2.122302 C#CCCOc1ccc2ccccc2c1N=O 7a_100000212102_100000688953 [0,2,0,0,0,0|0,0,2]=4 15142 B18R2.122302 C/C=C/COc1ccc2ccccc2c1N=O 34a_100000212102_100102629194 [0,2,0,0,0,0|0,0,2]=4 15143 B18R2.122302 C/C=C/COc1ccc2ccccc2c1N=O 7a_100000212102_100102629194 [0,2,0,0,0,0|0,0,2]=4 15144 B18R2.122302 C=CCCOc1ccc2ccccc2c1N=O 34a_100000212102_100000754431 [0,2,0,0,0,0|0,0,2]=4 15145 B18R2.122302 C=CCCOc1ccc2ccccc2c1N=O 7a_100000212102_100000754431 [0,2,0,0,0,0|0,0,2]=4 15146 B18R2.122302 CC#CCOc1ccc2ccccc2c1N=O 34a_100000212102_100000748600 [0,2,0,0,0,0|0,0,2]=4 15147 B18R2.122302 CC#CCOc1ccc2ccccc2c1N=O 7a_100000212102_100000748600 [0,2,0,0,0,0|0,0,2]=4 15148 B18R2.122302 CC=CCOc1ccc2ccccc2c1N=O 34a_100000212102_100000070051 [0,2,0,0,0,0|0,0,2]=4 15149 B18R2.122302 CC=CCOc1ccc2ccccc2c1N=O 7a_100000212102_100000070051 [0,2,0,0,0,0|0,0,2]=4 15150 B18R2.122302 CCCC=Cc1ccc2ccccc2c1C=O 271570a_100016258520_100010090029 [0,2,0,0,0,0|1,0,1]=4 15151 B18R2.122302 CCCC=Cc1ccc2ccccc2c1OC 271570a_100016258520_100010089960 [0,2,0,0,0,0|1,0,1]=4 15152 B18R2.122302 CCCCNc1ccc2ncccc2c1OC 34a_100009831023_100000210210 [0,2,0,0,0,0|2,0,0]=4 15153 B18R2.122302 CCCCOc1ccc2ccccc2c1N=O 34a_100000212102_100000210210 [0,2,0,0,0,0|0,0,0]=2 15154 B18R2.122302 CCCCOc1ccc2ccccc2c1N=O 7a_100000212102_100000210211 [0,2,0,0,0,0|0,0,0]=2 15155 B18R2.122302 CCCCOc1cnc2ccccc2c1C#N 7a_100009853984_100000210211 [0,2,0,0,0,0|1,0,0]=3 15156 B18R2.122302 CCCCSc1ccc2ccccc2c1C=O 62a_100010090029_100000210210 [0,2,0,0,0,0|0,1,0]=3 15157 B18R2.122302 CCCCSc1ccc2ccccc2c1OC 62a_100000210211_100010089960 [0,2,0,0,0,0|0,1,0]=3 15158 B18R2.122302 CCCCSc1ccc2cccnc2c1OC 62a_100000210211_100010256708 [0,2,0,0,0,0|1,1,0]=4 15159 B18R2.122302 CCCOCc1ccc2ccccc2c1OC 34a_200000067034_100000210303 [0,2,0,0,0,0|2,0,0]=4 15160 B18R2.122302 CCCOCc1ccc2ccccc2c1OC 7a_200000067034_100000210303 [0,2,0,0,0,0|2,0,0]=4 15161 B18R2.122302 CCOCSc1ccc2ccccc2c1C=O 62a_100010090029_100000739092 [0,2,0,0,0,0|1,1,0]=4 15162 B18R2.122302 CCOCSc1ccc2ccccc2c1OC 62a_100000739092_100010089960 [0,2,0,0,0,0|1,1,0]=4 15163 B18R2.122302 COCCOc1ccc2ccccc2c1N=O 34a_100000212102_100011201679 [0,2,0,0,0,0|1,0,0]=3 15164 B18R2.122302 COCCOc1ccc2ccccc2c1N=O 7a_100000212102_100000233755 [0,2,0,0,0,0|1,0,0]=3 15165 B18R2.122302 COCCOc1cnc2ccccc2c1C#N 7a_100009853984_100000233755 [0,2,0,0,0,0|2,0,0]=4 15166 B18R2.122302 COCCSc1ccc2ccccc2c1C=O 62a_100010090029_100000233755 [0,2,0,0,0,0|1,1,0]=4 15167 B18R2.122302 COCCSc1ccc2ccccc2c1OC 62a_100000233755_100010089960 [0,2,0,0,0,0|1,1,0]=4 15168 B18R2.122302 COc1c(ccc2c1cccc2)SCCCF 62a_100011934791_100010089960 [0,2,0,0,0,0|1,1,0]=4 15169 B18R2.122302 COc1c(ccc2c1cccc2)SCCCO 62a_100011215043_100010089960 [0,2,0,0,0,0|1,1,0]=4 15170 B18R2.122302 COc1c(ccc2c1cccc2)SCCSC 62a_100000212216_100010089960 [0,2,0,0,0,0|1,1,0]=4 15171 B18R2.122302 CSCCOc1ccc2ccccc2c1N=O 34a_100000212102_100000212216 [0,2,0,0,0,0|1,0,0]=3 15172 B18R2.122302 CSCCOc1ccc2ccccc2c1N=O 7a_100000212102_100000212216 [0,2,0,0,0,0|1,0,0]=3 15173 B18R2.122302 CSCCOc1cnc2ccccc2c1C#N 7a_100009853984_100000212216 [0,2,0,0,0,0|2,0,0]=4 15174 B18R2.122302 CSCCSc1ccc2ccccc2c1C=O 62a_100010090029_100000751147 [0,2,0,0,0,0|1,1,0]=4 15175 B18R2.122302 N#CCCOc1ccc2ccccc2c1N=O 7a_100000212102_100000184422 [0,2,0,0,0,0|1,0,1]=4 15176 B18R2.122302 N#Cc1c(cnc2c1cccc2)OCCCF 7a_100009853984_100011934791 [0,2,0,0,0,0|2,0,0]=4 15177 B18R2.122302 N#Cc1c(cnc2c1cccc2)OCCCO 7a_100009853984_100011215043 [0,2,0,0,0,0|2,0,0]=4 15178 B18R2.122302 O=Cc1c(ccc2c1cccc2)SCCCF 62a_100010090029_100011934791 [0,2,0,0,0,0|1,1,0]=4 15179 B18R2.122302 O=Cc1c(ccc2c1cccc2)SCCCO 62a_100010090029_100011215043 [0,2,0,0,0,0|1,1,0]=4 15180 B18R2.122302 O=Nc1c(ccc2c1cccc2)OCCCF 34a_100000212102_100011934791 [0,2,0,0,0,0|1,0,0]=3 15181 B18R2.122302 O=Nc1c(ccc2c1cccc2)OCCCF 7a_100000212102_100011934791 [0,2,0,0,0,0|1,0,0]=3 15182 B18R2.122302 O=Nc1c(ccc2c1cccc2)OCCCO 34a_100000212102_100000230001 [0,2,0,0,0,0|1,0,0]=3 15183 B18R2.122302 O=Nc1c(ccc2c1cccc2)OCCCO 7a_100000212102_100011215043 [0,2,0,0,0,0|1,0,0]=3 15184 B18R2.178083 CCCCSc1cc(c2cccnc2c1O)Cl 62a_100000210211_100000211503 [0,2,0,0,0,0|1,1,0]=4 15185 B18R2.178083 CCCCSc1cc(c2ncccc2c1F)F 62a_100000210211_200009817093 [0,2,0,0,0,0|1,1,0]=4 15186 B18R2.178083 CCCCSc1cc(c2ncccc2c1F)F 62a_200009817093_100000210210 [0,2,0,0,0,0|1,1,0]=4 15187 B18R2.178083 CCCNCc1cc(c2ccccc2c1F)Br 207a_100020643023_100010235050 [0,2,0,0,0,0|2,0,0]=4 15188 B18R2.178083 CCCNCc1cc(c2ccccc2c1F)Br 270004a_100020643023_100010235050 [0,2,0,0,0,0|2,0,0]=4 15189 B18R2.179704 CCCCSc1ccc2c(=O)cc[nH]c2c1F 62a_100000210211_100022010583 [0,2,0,0,0,0|1,1,0]=4 15190 B18R2.282514 C=C(C)CCNc1ccc2ccccc2c1Br 34a_100000705303_100000730704 [0,2,0,0,0,0|1,0,1]=4 15191 B18R2.282514 C=C(C)CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000730704 [0,2,0,0,0,0|1,0,1]=4 15192 B18R2.282514 C=C(C)CCNc1ccc2ccccc2c1O 34a_100000007060_100000730704 [0,2,0,0,0,0|1,0,1]=4 15193 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1Br 34a_100000183829_100000730704 [0,2,0,0,0,0|0,0,1]=3 15194 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1Br 7a_100000183829_100000730704 [0,2,0,0,0,0|0,0,1]=3 15195 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1C 34a_100009830054_100000730704 [0,2,0,0,0,0|0,0,1]=3 15196 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1C 7a_100009830054_100000730704 [0,2,0,0,0,0|0,0,1]=3 15197 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000730704 [0,2,0,0,0,0|0,0,1]=3 15198 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000730704 [0,2,0,0,0,0|0,0,1]=3 15199 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1I 34a_100000041551_100000730704 [0,2,0,0,0,0|0,0,1]=3 15200 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1I 7a_100000041551_100000730704 [0,2,0,0,0,0|0,0,1]=3 15201 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1N 34a_100000007056_100000730704 [0,2,0,0,0,0|0,0,1]=3 15202 B18R2.282514 C=C(C)CCOc1ccc2ccccc2c1N 7a_100000007056_100000730704 [0,2,0,0,0,0|0,0,1]=3 15203 B18R2.282514 C=C(C)CCOc1ccc2cccnc2c1Br 34a_100010173343_100000730704 [0,2,0,0,0,0|1,0,1]=4 15204 B18R2.282514 C=C(C)CCOc1ccc2cccnc2c1Br 7a_100010173343_100000730704 [0,2,0,0,0,0|1,0,1]=4 15205 B18R2.282514 C=C(C)CCOc1ccc2ccncc2c1Br 34a_200010115057_100000730704 [0,2,0,0,0,0|1,0,1]=4 15206 B18R2.282514 C=C(C)CCOc1ccc2ccncc2c1Br 7a_200010115057_100000730704 [0,2,0,0,0,0|1,0,1]=4 15207 B18R2.282514 C=C(C)CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000730704 [0,2,0,0,0,0|1,0,1]=4 15208 B18R2.282514 C=C(C)CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000730704 [0,2,0,0,0,0|1,0,1]=4 15209 B18R2.282514 C=C(C)CCSc1ccc2ccccc2c1N 62a_100009817101_100000730704 [0,2,0,0,0,0|0,1,1]=4 15210 B18R2.282514 C=C(C)CCSc1ccc2ccccc2c1O 62a_100000730704_100009996032 [0,2,0,0,0,0|0,1,1]=4 15211 B18R2.282514 CC(=CCOc1ccc2ccccc2c1Br)C 34a_100000183829_100000761012 [0,2,0,0,0,0|0,0,2]=4 15212 B18R2.282514 CC(=CCOc1ccc2ccccc2c1Br)C 7a_100000183829_100000761012 [0,2,0,0,0,0|0,0,2]=4 15213 B18R2.282514 CC(=CCOc1ccc2ccccc2c1C)C 34a_100009830054_100000761012 [0,2,0,0,0,0|0,0,2]=4 15214 B18R2.282514 CC(=CCOc1ccc2ccccc2c1C)C 7a_100009830054_100000761012 [0,2,0,0,0,0|0,0,2]=4 15215 B18R2.282514 CC(=CCOc1ccc2ccccc2c1Cl)C 34a_100000029778_100000761012 [0,2,0,0,0,0|0,0,2]=4 15216 B18R2.282514 CC(=CCOc1ccc2ccccc2c1Cl)C 7a_100000029778_100000761012 [0,2,0,0,0,0|0,0,2]=4 15217 B18R2.282514 CC(=CCOc1ccc2ccccc2c1I)C 34a_100000041551_100000761012 [0,2,0,0,0,0|0,0,2]=4 15218 B18R2.282514 CC(=CCOc1ccc2ccccc2c1I)C 7a_100000041551_100000761012 [0,2,0,0,0,0|0,0,2]=4 15219 B18R2.282514 CC(=CCOc1ccc2ccccc2c1N)C 34a_100000007056_100000761012 [0,2,0,0,0,0|0,0,2]=4 15220 B18R2.282514 CC(=CCOc1ccc2ccccc2c1N)C 7a_100000007056_100000761012 [0,2,0,0,0,0|0,0,2]=4 15221 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1Br 7a_100000183829_100000053229 [0,2,0,0,0,0|0,0,1]=3 15222 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1C 7a_100009830054_100000053229 [0,2,0,0,0,0|0,0,1]=3 15223 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000053229 [0,2,0,0,0,0|0,0,1]=3 15224 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1I 7a_100000041551_100000053229 [0,2,0,0,0,0|0,0,1]=3 15225 B18R2.282514 CC(=O)CCOc1ccc2ccccc2c1N 7a_100000007056_100000053229 [0,2,0,0,0,0|0,0,1]=3 15226 B18R2.282514 CC(=O)CCOc1ccc2cccnc2c1Br 7a_100010173343_100000053229 [0,2,0,0,0,0|1,0,1]=4 15227 B18R2.282514 CC(=O)CCOc1ccc2ccncc2c1Br 7a_200010115057_100000053229 [0,2,0,0,0,0|1,0,1]=4 15228 B18R2.282514 CC(=O)CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000053229 [0,2,0,0,0,0|1,0,1]=4 15229 B18R2.282514 CC(=O)CCSc1ccc2ccccc2c1Br 62a_100000053229_200010089984 [0,2,0,0,0,0|0,1,1]=4 15230 B18R2.282514 CC(=O)CCSc1ccc2ccccc2c1Br 62a_200010089984_100000053229 [0,2,0,0,0,0|0,1,1]=4 15231 B18R2.282514 CC(=O)CCSc1ccc2ccccc2c1C 62a_100000053229_100010221197 [0,2,0,0,0,0|0,1,1]=4 15232 B18R2.282514 CC(=O)CCSc1ccc2ccccc2c1C 62a_100010221197_100000053229 [0,2,0,0,0,0|0,1,1]=4 15233 B18R2.282514 CC(=O)CCSc1ccc2ccccc2c1F 62a_100000053229_100009832041 [0,2,0,0,0,0|0,1,1]=4 15234 B18R2.282514 CC(=O)CCSc1ccc2ccccc2c1F 62a_100009832041_100000053229 [0,2,0,0,0,0|0,1,1]=4 15235 B18R2.282514 CC(=O)CCSc1ccc2ccccc2c1N 62a_100009817101_100000053229 [0,2,0,0,0,0|0,1,1]=4 15236 B18R2.282514 CC(=O)CCSc1ccc2ccccc2c1O 62a_100000053229_100009996032 [0,2,0,0,0,0|0,1,1]=4 15237 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1Br 34a_100000183829_100009813279 [0,2,0,0,0,0|1,0,1]=4 15238 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1C 34a_100009830054_100009813279 [0,2,0,0,0,0|1,0,1]=4 15239 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1Cl 34a_100000029778_100009813279 [0,2,0,0,0,0|1,0,1]=4 15240 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1I 34a_100000041551_100009813279 [0,2,0,0,0,0|1,0,1]=4 15241 B18R2.282514 CC(=O)OCOc1ccc2ccccc2c1N 34a_100000007056_100009813279 [0,2,0,0,0,0|1,0,1]=4 15242 B18R2.282514 CC(Br)COCc1ccc2ccccc2c1Br 34a_100012180447_100009813938 [0,2,0,0,0,0|2,0,0]=4 15243 B18R2.282514 CC(C)CC=Cc1ccc2ccccc2c1N 271570a_100016259101_100009817101 [0,2,0,0,0,0|1,0,1]=4 15244 B18R2.282514 CC(C)CC=Cc1ccc2ccccc2c1O 271570a_100016259101_100009996032 [0,2,0,0,0,0|1,0,1]=4 15245 B18R2.282514 CC(C)CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210312 [0,2,0,0,0,0|1,0,0]=3 15246 B18R2.282514 CC(C)CCNc1ccc2ccccc2c1O 34a_100000007060_100000210312 [0,2,0,0,0,0|1,0,0]=3 15247 B18R2.282514 CC(C)CCNc1ccc2cnccc2c1Cl 34a_100009851981_100000210312 [0,2,0,0,0,0|2,0,0]=4 15248 B18R2.282514 CC(C)CCNc1ccc2ncccc2c1Br 34a_200009995563_100000210312 [0,2,0,0,0,0|2,0,0]=4 15249 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210312 [0,2,0,0,0,0|0,0,0]=2 15250 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210626 [0,2,0,0,0,0|0,0,0]=2 15251 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1I 34a_100000041551_100000210312 [0,2,0,0,0,0|0,0,0]=2 15252 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1I 7a_100000041551_100000210626 [0,2,0,0,0,0|0,0,0]=2 15253 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1N 34a_100000007056_100000210312 [0,2,0,0,0,0|0,0,0]=2 15254 B18R2.282514 CC(C)CCOc1ccc2ccccc2c1N 7a_100000007056_100000210626 [0,2,0,0,0,0|0,0,0]=2 15255 B18R2.282514 CC(C)CCOc1ccc2cccnc2c1Br 34a_100010173343_100000210312 [0,2,0,0,0,0|1,0,0]=3 15256 B18R2.282514 CC(C)CCOc1ccc2cccnc2c1Br 7a_100010173343_100000210626 [0,2,0,0,0,0|1,0,0]=3 15257 B18R2.282514 CC(C)CCOc1ccc2ccncc2c1Br 34a_200010115057_100000210312 [0,2,0,0,0,0|1,0,0]=3 15258 B18R2.282514 CC(C)CCOc1ccc2ccncc2c1Br 7a_200010115057_100000210626 [0,2,0,0,0,0|1,0,0]=3 15259 B18R2.282514 CC(C)CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210312 [0,2,0,0,0,0|1,0,0]=3 15260 B18R2.282514 CC(C)CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210626 [0,2,0,0,0,0|1,0,0]=3 15261 B18R2.282514 CC(C)CCSc1c[nH]c2ccccc2c1=O 62a_100000210312_100012348052 [0,2,0,0,0,0|1,1,0]=4 15262 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1N 62a_100009817101_100000210312 [0,2,0,0,0,0|0,1,0]=3 15263 B18R2.282514 CC(C)CCSc1ccc2ccccc2c1O 62a_100000210312_100009996032 [0,2,0,0,0,0|0,1,0]=3 15264 B18R2.282514 CC(C)CCSc1ccc2cccnc2c1F 62a_100000210312_100010751467 [0,2,0,0,0,0|1,1,0]=4 15265 B18R2.282514 CC(C)CCSc1ccc2cccnc2c1F 62a_100010751467_100000210312 [0,2,0,0,0,0|1,1,0]=4 15266 B18R2.282514 CC(C)CCSc1ccc2cccnc2c1O 62a_100000210312_100009816563 [0,2,0,0,0,0|1,1,0]=4 15267 B18R2.282514 CC(C)CCSc1ccc2cnccc2c1N 62a_100000210312_100010191621 [0,2,0,0,0,0|1,1,0]=4 15268 B18R2.282514 CC(C)CCSc1ccc2cnccc2c1N 62a_100010191621_100000210312 [0,2,0,0,0,0|1,1,0]=4 15269 B18R2.282514 CC(C)CCSc1ccc2ncccc2c1N 62a_200010235790_100000210312 [0,2,0,0,0,0|1,1,0]=4 15270 B18R2.282514 CC(C)CCSc1cnc2ccccc2c1N 62a_100000210312_100009995562 [0,2,0,0,0,0|1,1,0]=4 15271 B18R2.282514 CC(C)CCSc1cnc2ccccc2c1N 62a_100009995562_100000210312 [0,2,0,0,0,0|1,1,0]=4 15272 B18R2.282514 CC(C)CCSc1coc2ccccc2c1=O 62a_100000210312_100009813851 [0,2,0,0,0,0|1,1,0]=4 15273 B18R2.282514 CC(C)CCSc1ncc2ccccc2c1N 62a_100000210312_100000087573 [0,2,0,0,0,0|1,1,0]=4 15274 B18R2.282514 CC(C)CCSc1ncc2ccccc2c1N 62a_100009995564_100000210312 [0,2,0,0,0,0|1,1,0]=4 15275 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 207a_100000210953_100009813496 [0,2,0,0,0,0|2,0,0]=4 15276 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 2230a_100000210953_100009813938 [0,2,0,0,0,0|2,0,0]=4 15277 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 26a_100000210953_100000183829 [0,2,0,0,0,0|2,0,0]=4 15278 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 270004a_100000210953_100009813496 [0,2,0,0,0,0|2,0,0]=4 15279 B18R2.282514 CC(C)CNCc1ccc2ccccc2c1Br 34a_100000210953_100009813938 [0,2,0,0,0,0|2,0,0]=4 15280 B18R2.282514 CC(C)COCc1ccc2ccccc2c1Br 34a_100000210257_100009813938 [0,2,0,0,0,0|2,0,0]=4 15281 B18R2.282514 CC(C)OCNc1ccc2ccccc2c1Br 34a_100000705303_100000709892 [0,2,0,0,0,0|2,0,0]=4 15282 B18R2.282514 CC(C)OCNc1ccc2ccccc2c1Cl 34a_100000075557_100000709892 [0,2,0,0,0,0|2,0,0]=4 15283 B18R2.282514 CC(C)OCNc1ccc2ccccc2c1O 34a_100000007060_100000709892 [0,2,0,0,0,0|2,0,0]=4 15284 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1Br 34a_100000183829_100000709892 [0,2,0,0,0,0|1,0,0]=3 15285 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1Cl 34a_100000029778_100000709892 [0,2,0,0,0,0|1,0,0]=3 15286 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1I 34a_100000041551_100000709892 [0,2,0,0,0,0|1,0,0]=3 15287 B18R2.282514 CC(C)OCOc1ccc2ccccc2c1N 34a_100000007056_100000709892 [0,2,0,0,0,0|1,0,0]=3 15288 B18R2.282514 CC(C)OCOc1ccc2cccnc2c1Br 34a_100010173343_100000709892 [0,2,0,0,0,0|2,0,0]=4 15289 B18R2.282514 CC(C)OCOc1ccc2ccncc2c1Br 34a_200010115057_100000709892 [0,2,0,0,0,0|2,0,0]=4 15290 B18R2.282514 CC(C)OCOc1ccc2cnccc2c1Cl 34a_100009824633_100000709892 [0,2,0,0,0,0|2,0,0]=4 15291 B18R2.282514 CC(C)OCSc1ccc2ccccc2c1F 62a_100000709892_100009832041 [0,2,0,0,0,0|1,1,0]=4 15292 B18R2.282514 CC(C)OCSc1ccc2ccccc2c1F 62a_100009832041_100000709892 [0,2,0,0,0,0|1,1,0]=4 15293 B18R2.282514 CC(C)OCSc1ccc2ccccc2c1N 62a_100009817101_100000709892 [0,2,0,0,0,0|1,1,0]=4 15294 B18R2.282514 CC(C)OCSc1ccc2ccccc2c1O 62a_100000709892_100009996032 [0,2,0,0,0,0|1,1,0]=4 15295 B18R2.282514 CC(F)COCc1ccc2ccccc2c1Br 34a_100015925927_100009813938 [0,2,0,0,0,0|2,0,0]=4 15296 B18R2.282514 CC(O)CCNc1ccc2ccccc2c1Br 34a_100000705303_100012276601 [0,2,0,0,0,0|1,0,0]=3 15297 B18R2.282514 CC(O)CCNc1ccc2ccccc2c1Cl 34a_100000075557_100012276601 [0,2,0,0,0,0|1,0,0]=3 15298 B18R2.282514 CC(O)CCNc1ccc2ccccc2c1O 34a_100000007060_100012276601 [0,2,0,0,0,0|1,0,0]=3 15299 B18R2.282514 CC(O)CCNc1ccc2cnccc2c1Cl 34a_100009851981_100012276601 [0,2,0,0,0,0|2,0,0]=4 15300 B18R2.282514 CC(O)CCNc1ccc2ncccc2c1Br 34a_200009995563_100012276601 [0,2,0,0,0,0|2,0,0]=4 15301 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Br 34a_100000183829_100012276601 [0,2,0,0,0,0|0,0,0]=2 15302 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Br 7a_100000183829_100012276601 [0,2,0,0,0,0|0,0,0]=2 15303 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Cl 34a_100000029778_100012276601 [0,2,0,0,0,0|0,0,0]=2 15304 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100012276601 [0,2,0,0,0,0|0,0,0]=2 15305 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1I 34a_100000041551_100012276601 [0,2,0,0,0,0|0,0,0]=2 15306 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1I 7a_100000041551_100012276601 [0,2,0,0,0,0|0,0,0]=2 15307 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1N 34a_100000007056_100012276601 [0,2,0,0,0,0|0,0,0]=2 15308 B18R2.282514 CC(O)CCOc1ccc2ccccc2c1N 7a_100000007056_100012276601 [0,2,0,0,0,0|0,0,0]=2 15309 B18R2.282514 CC(O)CCOc1ccc2cccnc2c1Br 34a_100010173343_100012276601 [0,2,0,0,0,0|1,0,0]=3 15310 B18R2.282514 CC(O)CCOc1ccc2cccnc2c1Br 7a_100010173343_100012276601 [0,2,0,0,0,0|1,0,0]=3 15311 B18R2.282514 CC(O)CCOc1ccc2ccncc2c1Br 34a_200010115057_100012276601 [0,2,0,0,0,0|1,0,0]=3 15312 B18R2.282514 CC(O)CCOc1ccc2ccncc2c1Br 7a_200010115057_100012276601 [0,2,0,0,0,0|1,0,0]=3 15313 B18R2.282514 CC(O)CCOc1ccc2cnccc2c1Cl 34a_100009824633_100012276601 [0,2,0,0,0,0|1,0,0]=3 15314 B18R2.282514 CC(O)CCOc1ccc2cnccc2c1Cl 7a_100009824633_100012276601 [0,2,0,0,0,0|1,0,0]=3 15315 B18R2.282514 CC(O)CCSc1c[nH]c2ccccc2c1=O 62a_100012276601_100012348052 [0,2,0,0,0,0|1,1,0]=4 15316 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1Br 62a_100012276601_200010089984 [0,2,0,0,0,0|0,1,0]=3 15317 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1Br 62a_200010089984_100012276601 [0,2,0,0,0,0|0,1,0]=3 15318 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1F 62a_100009832041_100012276601 [0,2,0,0,0,0|0,1,0]=3 15319 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1F 62a_100012276601_100009832041 [0,2,0,0,0,0|0,1,0]=3 15320 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1N 62a_100009817101_100012276601 [0,2,0,0,0,0|0,1,0]=3 15321 B18R2.282514 CC(O)CCSc1ccc2ccccc2c1O 62a_100012276601_100009996032 [0,2,0,0,0,0|0,1,0]=3 15322 B18R2.282514 CC(O)CCSc1ccc2cccnc2c1F 62a_100010751467_100012276601 [0,2,0,0,0,0|1,1,0]=4 15323 B18R2.282514 CC(O)CCSc1ccc2cccnc2c1F 62a_100012276601_100010751467 [0,2,0,0,0,0|1,1,0]=4 15324 B18R2.282514 CC(O)CCSc1ccc2cccnc2c1O 62a_100012276601_100009816563 [0,2,0,0,0,0|1,1,0]=4 15325 B18R2.282514 CC(O)CCSc1ccc2cnccc2c1N 62a_100010191621_100012276601 [0,2,0,0,0,0|1,1,0]=4 15326 B18R2.282514 CC(O)CCSc1ccc2cnccc2c1N 62a_100012276601_100010191621 [0,2,0,0,0,0|1,1,0]=4 15327 B18R2.282514 CC(O)CCSc1ccc2ncccc2c1N 62a_200010235790_100012276601 [0,2,0,0,0,0|1,1,0]=4 15328 B18R2.282514 CC(O)CCSc1cnc2ccccc2c1Cl 62a_100012276601_100012352519 [0,2,0,0,0,0|1,1,0]=4 15329 B18R2.282514 CC(O)CCSc1cnc2ccccc2c1N 62a_100009995562_100012276601 [0,2,0,0,0,0|1,1,0]=4 15330 B18R2.282514 CC(O)CCSc1cnc2ccccc2c1N 62a_100012276601_100009995562 [0,2,0,0,0,0|1,1,0]=4 15331 B18R2.282514 CC(O)CCSc1coc2ccccc2c1=O 62a_100012276601_100009813851 [0,2,0,0,0,0|1,1,0]=4 15332 B18R2.282514 CC(O)CCSc1ncc2ccccc2c1N 62a_100009995564_100012276601 [0,2,0,0,0,0|1,1,0]=4 15333 B18R2.282514 CC(O)CCSc1ncc2ccccc2c1N 62a_100012276601_100000087573 [0,2,0,0,0,0|1,1,0]=4 15334 B18R2.282514 CC(O)CNCc1ccc2ccccc2c1Br 207a_100000210904_100009813496 [0,2,0,0,0,0|2,0,0]=4 15335 B18R2.282514 CC(O)CNCc1ccc2ccccc2c1Br 2230a_100000210904_100009813938 [0,2,0,0,0,0|2,0,0]=4 15336 B18R2.282514 CC(O)CNCc1ccc2ccccc2c1Br 270004a_100000210904_100009813496 [0,2,0,0,0,0|2,0,0]=4 15337 B18R2.282514 CC(O)CNCc1ccc2ccccc2c1Br 34a_100000210904_100009813938 [0,2,0,0,0,0|2,0,0]=4 15338 B18R2.282514 CC(O)CSCc1ccc2ccccc2c1Br 62a_100009813938_100011218427 [0,2,0,0,0,0|2,0,0]=4 15339 B18R2.282514 CC(O)CSCc1ccc2ccccc2c1Br 62a_100011218427_100009813938 [0,2,0,0,0,0|2,0,0]=4 15340 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1Br 7a_100000183829_100000755713 [0,2,0,0,0,0|1,0,0]=3 15341 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000755713 [0,2,0,0,0,0|1,0,0]=3 15342 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1I 7a_100000041551_100000755713 [0,2,0,0,0,0|1,0,0]=3 15343 B18R2.282514 CN(C)CCOc1ccc2ccccc2c1N 7a_100000007056_100000755713 [0,2,0,0,0,0|1,0,0]=3 15344 B18R2.282514 CN(C)CCOc1ccc2cccnc2c1Br 7a_100010173343_100000755713 [0,2,0,0,0,0|2,0,0]=4 15345 B18R2.282514 CN(C)CCOc1ccc2ccncc2c1Br 7a_200010115057_100000755713 [0,2,0,0,0,0|2,0,0]=4 15346 B18R2.282514 CN(C)CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000755713 [0,2,0,0,0,0|2,0,0]=4 15347 B18R2.282514 CN(C)CCSc1ccc2ccccc2c1Br 62a_200010089984_100000755713 [0,2,0,0,0,0|1,1,0]=4 15348 B18R2.282514 CN(C)CCSc1ccc2ccccc2c1F 62a_100009832041_100000755713 [0,2,0,0,0,0|1,1,0]=4 15349 B18R2.282514 CN(C)CCSc1ccc2ccccc2c1N 62a_100009817101_100000755713 [0,2,0,0,0,0|1,1,0]=4 15350 B18R2.282514 C[C@@H](Cl)COCc1ccc2ccccc2c1Br 34a_100016084084_100009813938 [0,2,0,0,0,0|2,0,0]=4 15351 B18R2.282514 C[C@@H](N)COCc1ccc2ccccc2c1Br 34a_100000737577_100009813938 [0,2,0,0,0,0|2,0,0]=4 15352 B18R2.282514 C[C@@H](O)CSCc1ccc2ccccc2c1Br 62a_100009813938_100009817552 [0,2,0,0,0,0|2,0,0]=4 15353 B18R2.282514 C[C@@H](O)CSCc1ccc2ccccc2c1Br 62a_100009817552_100009813938 [0,2,0,0,0,0|2,0,0]=4 15354 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(=O)N 34a_100009830054_100000731001 [0,2,0,0,0,0|1,0,1]=4 15355 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(=O)N 7a_100009830054_100000744528 [0,2,0,0,0,0|1,0,1]=4 15356 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)C 34a_100009830054_100000210312 [0,2,0,0,0,0|0,0,0]=2 15357 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)C 7a_100009830054_100000210626 [0,2,0,0,0,0|0,0,0]=2 15358 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)O 34a_100009830054_100012276601 [0,2,0,0,0,0|0,0,0]=2 15359 B18R2.282514 Cc1c(ccc2c1cccc2)OCCC(C)O 7a_100009830054_100012276601 [0,2,0,0,0,0|0,0,0]=2 15360 B18R2.282514 Cc1c(ccc2c1cccc2)OCCN(C)C 7a_100009830054_100000755713 [0,2,0,0,0,0|1,0,0]=3 15361 B18R2.282514 Cc1c(ccc2c1cccc2)OCOC(C)C 34a_100009830054_100000709892 [0,2,0,0,0,0|1,0,0]=3 15362 B18R2.282514 Cc1c(ccc2c1cccc2)SCCC(C)O 62a_100010221197_100012276601 [0,2,0,0,0,0|0,1,0]=3 15363 B18R2.282514 Cc1c(ccc2c1cccc2)SCCC(C)O 62a_100012276601_100010221197 [0,2,0,0,0,0|0,1,0]=3 15364 B18R2.282514 Cc1c(ccc2c1cccc2)SCCN(C)C 62a_100010221197_100000755713 [0,2,0,0,0,0|1,1,0]=4 15365 B18R2.282514 Cc1c(ccc2c1cccc2)SCOC(C)C 62a_100000709892_100010221197 [0,2,0,0,0,0|1,1,0]=4 15366 B18R2.282514 Cc1c(ccc2c1cccc2)SCOC(C)C 62a_100010221197_100000709892 [0,2,0,0,0,0|1,1,0]=4 15367 B18R2.282514 Cc1c(ccc2c1cccn2)SCCC(C)C 62a_100000210312_200010137439 [0,2,0,0,0,0|1,1,0]=4 15368 B18R2.282514 Cc1c(ccc2c1cccn2)SCCC(C)C 62a_200010137439_100000210312 [0,2,0,0,0,0|1,1,0]=4 15369 B18R2.282514 Cc1c(ccc2c1cccn2)SCCC(C)O 62a_100012276601_200010137439 [0,2,0,0,0,0|1,1,0]=4 15370 B18R2.282514 Cc1c(ccc2c1cccn2)SCCC(C)O 62a_200010137439_100012276601 [0,2,0,0,0,0|1,1,0]=4 15371 B18R2.282514 Cc1c(ccc2c1nccc2)SCCC(C)C 62a_100000210312_100010214467 [0,2,0,0,0,0|1,1,0]=4 15372 B18R2.282514 Cc1c(ccc2c1nccc2)SCCC(C)O 62a_100012276601_100010214467 [0,2,0,0,0,0|1,1,0]=4 15373 B18R2.282514 NC(=O)CCOc1ccc2ccccc2c1Br 34a_100000183829_100000731001 [0,2,0,0,0,0|1,0,1]=4 15374 B18R2.282514 NC(=O)CCOc1ccc2ccccc2c1Br 7a_100000183829_100000744528 [0,2,0,0,0,0|1,0,1]=4 15375 B18R2.282514 NC(=O)CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000731001 [0,2,0,0,0,0|1,0,1]=4 15376 B18R2.282514 NC(=O)CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000744528 [0,2,0,0,0,0|1,0,1]=4 15377 B18R2.282514 NC(=O)CCOc1ccc2ccccc2c1I 34a_100000041551_100000731001 [0,2,0,0,0,0|1,0,1]=4 15378 B18R2.282514 NC(=O)CCOc1ccc2ccccc2c1I 7a_100000041551_100000744528 [0,2,0,0,0,0|1,0,1]=4 15379 B18R2.282514 NC(=O)CCOc1ccc2ccccc2c1N 34a_100000007056_100000731001 [0,2,0,0,0,0|1,0,1]=4 15380 B18R2.282514 NC(=O)CCOc1ccc2ccccc2c1N 7a_100000007056_100000744528 [0,2,0,0,0,0|1,0,1]=4 15381 B18R2.6153 C=C(C)CCNc1cc2ccccc2cc1Br 34a_100009991566_100000730704 [0,2,0,0,0,0|1,0,1]=4 15382 B18R2.6153 C=C(C)CCNc1cc2ccccc2cc1Br 7a_100009991566_100000730704 [0,2,0,0,0,0|1,0,1]=4 15383 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1Br 34a_100009817189_100000730704 [0,2,0,0,0,0|0,0,1]=3 15384 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1Br 7a_100009817189_100000730704 [0,2,0,0,0,0|0,0,1]=3 15385 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1C 34a_100000091601_100000730704 [0,2,0,0,0,0|0,0,1]=3 15386 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1C 7a_100000091601_100000730704 [0,2,0,0,0,0|0,0,1]=3 15387 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1N 34a_106744474703_100000730704 [0,2,0,0,0,0|0,0,1]=3 15388 B18R2.6153 C=C(C)CCOc1cc2ccccc2cc1N 7a_106744474703_100000730704 [0,2,0,0,0,0|0,0,1]=3 15389 B18R2.6153 C=C(C)CCOc1cc2ccccc2nc1C 34a_200000079175_100000730704 [0,2,0,0,0,0|1,0,1]=4 15390 B18R2.6153 C=C(C)CCOc1cc2ccccc2nc1C 7a_200000079175_100000730704 [0,2,0,0,0,0|1,0,1]=4 15391 B18R2.6153 C=C(C)CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000730704 [0,2,0,0,0,0|1,0,1]=4 15392 B18R2.6153 C=C(C)CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000730704 [0,2,0,0,0,0|1,0,1]=4 15393 B18R2.6153 C=C(C)CCOc1cc2ccccc2oc1=O 7a_100000061252_100000730704 [0,2,0,0,0,0|1,0,1]=4 15394 B18R2.6153 C=C(C)CCOc1cc2cccnc2cc1Br 34a_200010153759_100000730704 [0,2,0,0,0,0|1,0,1]=4 15395 B18R2.6153 C=C(C)CCOc1cc2cccnc2cc1Br 7a_200010153759_100000730704 [0,2,0,0,0,0|1,0,1]=4 15396 B18R2.6153 C=C(C)CCSc1cc2ccccc2cc1N 62a_100000730704_100009991566 [0,2,0,0,0,0|0,1,1]=4 15397 B18R2.6153 C=C(C)CCSc1cc2ccccc2cc1N 62a_100009991566_100000730704 [0,2,0,0,0,0|0,1,1]=4 15398 B18R2.6153 C=C(C)CCSc1cc2ccccc2cc1O 62a_100000730704_100009817189 [0,2,0,0,0,0|0,1,1]=4 15399 B18R2.6153 CC(=CCOc1cc2ccccc2cc1Br)C 34a_100009817189_100000761012 [0,2,0,0,0,0|0,0,2]=4 15400 B18R2.6153 CC(=CCOc1cc2ccccc2cc1Br)C 7a_100009817189_100000761012 [0,2,0,0,0,0|0,0,2]=4 15401 B18R2.6153 CC(=CCOc1cc2ccccc2cc1C)C 34a_100000091601_100000761012 [0,2,0,0,0,0|0,0,2]=4 15402 B18R2.6153 CC(=CCOc1cc2ccccc2cc1C)C 7a_100000091601_100000761012 [0,2,0,0,0,0|0,0,2]=4 15403 B18R2.6153 CC(=CCOc1cc2ccccc2cc1N)C 34a_106744474703_100000761012 [0,2,0,0,0,0|0,0,2]=4 15404 B18R2.6153 CC(=CCOc1cc2ccccc2cc1N)C 7a_106744474703_100000761012 [0,2,0,0,0,0|0,0,2]=4 15405 B18R2.6153 CC(=O)CCNc1cc2ccccc2cc1Br 7a_100009991566_100000053229 [0,2,0,0,0,0|1,0,1]=4 15406 B18R2.6153 CC(=O)CCOc1cc2ccccc2cc1Br 7a_100009817189_100000053229 [0,2,0,0,0,0|0,0,1]=3 15407 B18R2.6153 CC(=O)CCOc1cc2ccccc2cc1C 7a_100000091601_100000053229 [0,2,0,0,0,0|0,0,1]=3 15408 B18R2.6153 CC(=O)CCOc1cc2ccccc2cc1N 7a_106744474703_100000053229 [0,2,0,0,0,0|0,0,1]=3 15409 B18R2.6153 CC(=O)CCOc1cc2ccccc2nc1C 7a_200000079175_100000053229 [0,2,0,0,0,0|1,0,1]=4 15410 B18R2.6153 CC(=O)CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000053229 [0,2,0,0,0,0|1,0,1]=4 15411 B18R2.6153 CC(=O)CCOc1cc2ccccc2oc1=O 7a_100000061252_100000053229 [0,2,0,0,0,0|1,0,1]=4 15412 B18R2.6153 CC(=O)CCOc1cc2cccnc2cc1Br 7a_200010153759_100000053229 [0,2,0,0,0,0|1,0,1]=4 15413 B18R2.6153 CC(=O)CCSc1cc2ccccc2cc1Br 62a_100000053229_200010169544 [0,2,0,0,0,0|0,1,1]=4 15414 B18R2.6153 CC(=O)CCSc1cc2ccccc2cc1Br 62a_200010169544_100000053229 [0,2,0,0,0,0|0,1,1]=4 15415 B18R2.6153 CC(=O)CCSc1cc2ccccc2cc1Cl 62a_100000053229_100010152806 [0,2,0,0,0,0|0,1,1]=4 15416 B18R2.6153 CC(=O)CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000053229 [0,2,0,0,0,0|0,1,1]=4 15417 B18R2.6153 CC(=O)CCSc1cc2ccccc2cc1N 62a_100000053229_100009991566 [0,2,0,0,0,0|0,1,1]=4 15418 B18R2.6153 CC(=O)CCSc1cc2ccccc2cc1N 62a_100009991566_100000053229 [0,2,0,0,0,0|0,1,1]=4 15419 B18R2.6153 CC(=O)CCSc1cc2ccccc2cc1O 62a_100000053229_100009817189 [0,2,0,0,0,0|0,1,1]=4 15420 B18R2.6153 CC(=O)OCOc1cc2ccccc2cc1Br 34a_100009817189_100009813279 [0,2,0,0,0,0|1,0,1]=4 15421 B18R2.6153 CC(=O)OCOc1cc2ccccc2cc1C 34a_100000091601_100009813279 [0,2,0,0,0,0|1,0,1]=4 15422 B18R2.6153 CC(=O)OCOc1cc2ccccc2cc1N 34a_106744474703_100009813279 [0,2,0,0,0,0|1,0,1]=4 15423 B18R2.6153 CC(C)CC=Cc1cc2ccccc2cc1N 271570a_100016259101_100009991566 [0,2,0,0,0,0|1,0,1]=4 15424 B18R2.6153 CC(C)CC=Cc1cc2ccccc2cc1O 271570a_100016259101_100009817189 [0,2,0,0,0,0|1,0,1]=4 15425 B18R2.6153 CC(C)CCOc1cc2ccccc2cc1N 34a_106744474703_100000210312 [0,2,0,0,0,0|0,0,0]=2 15426 B18R2.6153 CC(C)CCOc1cc2ccccc2cc1N 7a_106744474703_100000210626 [0,2,0,0,0,0|0,0,0]=2 15427 B18R2.6153 CC(C)CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210312 [0,2,0,0,0,0|1,0,0]=3 15428 B18R2.6153 CC(C)CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210626 [0,2,0,0,0,0|1,0,0]=3 15429 B18R2.6153 CC(C)CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210626 [0,2,0,0,0,0|1,0,0]=3 15430 B18R2.6153 CC(C)CCOc1cc2cccnc2cc1Br 34a_200010153759_100000210312 [0,2,0,0,0,0|1,0,0]=3 15431 B18R2.6153 CC(C)CCOc1cc2cccnc2cc1Br 7a_200010153759_100000210626 [0,2,0,0,0,0|1,0,0]=3 15432 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1N 62a_100000210312_100009991566 [0,2,0,0,0,0|0,1,0]=3 15433 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1N 62a_100009991566_100000210312 [0,2,0,0,0,0|0,1,0]=3 15434 B18R2.6153 CC(C)CCSc1cc2ccccc2cc1O 62a_100000210312_100009817189 [0,2,0,0,0,0|0,1,0]=3 15435 B18R2.6153 CC(C)CCSc1cc2ccccc2nc1F 62a_100000210312_100011158909 [0,2,0,0,0,0|1,1,0]=4 15436 B18R2.6153 CC(C)CCSc1cc2ccccc2nc1F 62a_100011158909_100000210312 [0,2,0,0,0,0|1,1,0]=4 15437 B18R2.6153 CC(C)CCSc1cc2ccccc2nc1N 62a_100010135404_100000210312 [0,2,0,0,0,0|1,1,0]=4 15438 B18R2.6153 CC(C)CCSc1cc2ccccc2nc1O 62a_100000210312_200009820883 [0,2,0,0,0,0|1,1,0]=4 15439 B18R2.6153 CC(C)CCSc1cc2ccccc2oc1=O 62a_100000210312_200000187772 [0,2,0,0,0,0|1,1,0]=4 15440 B18R2.6153 CC(C)CCSc1cc2cccnc2cc1F 62a_100000210312_100009854028 [0,2,0,0,0,0|1,1,0]=4 15441 B18R2.6153 CC(C)CCSc1cc2cccnc2cc1F 62a_100009854028_100000210312 [0,2,0,0,0,0|1,1,0]=4 15442 B18R2.6153 CC(C)CCSc1cc2ccncc2cc1F 62a_100000210312_100011105921 [0,2,0,0,0,0|1,1,0]=4 15443 B18R2.6153 CC(C)CCSc1cc2ccncc2cc1F 62a_100011105921_100000210312 [0,2,0,0,0,0|1,1,0]=4 15444 B18R2.6153 CC(C)CCSc1cc2cnccc2cc1F 62a_100000210312_100010244713 [0,2,0,0,0,0|1,1,0]=4 15445 B18R2.6153 CC(C)CCSc1cc2cnccc2cc1F 62a_100010244713_100000210312 [0,2,0,0,0,0|1,1,0]=4 15446 B18R2.6153 CC(C)CCSc1cc2ncccc2cc1O 62a_100000210312_200010153759 [0,2,0,0,0,0|1,1,0]=4 15447 B18R2.6153 CC(C)CCSc1nc2ccccc2cc1O 62a_100000210312_200000100762 [0,2,0,0,0,0|1,1,0]=4 15448 B18R2.6153 CC(C)CNCc1cc2ccccc2cc1Br 26a_100000210953_100009817189 [0,2,0,0,0,0|2,0,0]=4 15449 B18R2.6153 CC(C)OCNc1cc2ccccc2cc1Br 34a_100009991566_100000709892 [0,2,0,0,0,0|2,0,0]=4 15450 B18R2.6153 CC(C)OCOc1cc2ccccc2cc1Br 34a_100009817189_100000709892 [0,2,0,0,0,0|1,0,0]=3 15451 B18R2.6153 CC(C)OCOc1cc2ccccc2cc1N 34a_106744474703_100000709892 [0,2,0,0,0,0|1,0,0]=3 15452 B18R2.6153 CC(C)OCOc1cc2ccccc2nc1Cl 34a_200000100762_100000709892 [0,2,0,0,0,0|2,0,0]=4 15453 B18R2.6153 CC(C)OCOc1cc2cccnc2cc1Br 34a_200010153759_100000709892 [0,2,0,0,0,0|2,0,0]=4 15454 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1Cl 62a_100000709892_100010152806 [0,2,0,0,0,0|1,1,0]=4 15455 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1Cl 62a_100010152806_100000709892 [0,2,0,0,0,0|1,1,0]=4 15456 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1N 62a_100000709892_100009991566 [0,2,0,0,0,0|1,1,0]=4 15457 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1N 62a_100009991566_100000709892 [0,2,0,0,0,0|1,1,0]=4 15458 B18R2.6153 CC(C)OCSc1cc2ccccc2cc1O 62a_100000709892_100009817189 [0,2,0,0,0,0|1,1,0]=4 15459 B18R2.6153 CC(O)CCNc1cc2ccccc2cc1Br 34a_100009991566_100012276601 [0,2,0,0,0,0|1,0,0]=3 15460 B18R2.6153 CC(O)CCNc1cc2ccccc2cc1Br 7a_100009991566_100012276601 [0,2,0,0,0,0|1,0,0]=3 15461 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1Br 34a_100009817189_100012276601 [0,2,0,0,0,0|0,0,0]=2 15462 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1Br 7a_100009817189_100012276601 [0,2,0,0,0,0|0,0,0]=2 15463 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1N 34a_106744474703_100012276601 [0,2,0,0,0,0|0,0,0]=2 15464 B18R2.6153 CC(O)CCOc1cc2ccccc2cc1N 7a_106744474703_100012276601 [0,2,0,0,0,0|0,0,0]=2 15465 B18R2.6153 CC(O)CCOc1cc2ccccc2nc1Cl 34a_200000100762_100012276601 [0,2,0,0,0,0|1,0,0]=3 15466 B18R2.6153 CC(O)CCOc1cc2ccccc2nc1Cl 7a_200000100762_100012276601 [0,2,0,0,0,0|1,0,0]=3 15467 B18R2.6153 CC(O)CCOc1cc2ccccc2oc1=O 7a_100000061252_100012276601 [0,2,0,0,0,0|1,0,0]=3 15468 B18R2.6153 CC(O)CCOc1cc2cccnc2cc1Br 34a_200010153759_100012276601 [0,2,0,0,0,0|1,0,0]=3 15469 B18R2.6153 CC(O)CCOc1cc2cccnc2cc1Br 7a_200010153759_100012276601 [0,2,0,0,0,0|1,0,0]=3 15470 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1Br 62a_100012276601_200010169544 [0,2,0,0,0,0|0,1,0]=3 15471 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1Br 62a_200010169544_100012276601 [0,2,0,0,0,0|0,1,0]=3 15472 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1Cl 62a_100010152806_100012276601 [0,2,0,0,0,0|0,1,0]=3 15473 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1Cl 62a_100012276601_100010152806 [0,2,0,0,0,0|0,1,0]=3 15474 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1N 62a_100009991566_100012276601 [0,2,0,0,0,0|0,1,0]=3 15475 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1N 62a_100012276601_100009991566 [0,2,0,0,0,0|0,1,0]=3 15476 B18R2.6153 CC(O)CCSc1cc2ccccc2cc1O 62a_100012276601_100009817189 [0,2,0,0,0,0|0,1,0]=3 15477 B18R2.6153 CC(O)CCSc1cc2ccccc2nc1Cl 62a_100012276601_100010220712 [0,2,0,0,0,0|1,1,0]=4 15478 B18R2.6153 CC(O)CCSc1cc2ccccc2nc1F 62a_100011158909_100012276601 [0,2,0,0,0,0|1,1,0]=4 15479 B18R2.6153 CC(O)CCSc1cc2ccccc2nc1F 62a_100012276601_100011158909 [0,2,0,0,0,0|1,1,0]=4 15480 B18R2.6153 CC(O)CCSc1cc2ccccc2nc1N 62a_100010135404_100012276601 [0,2,0,0,0,0|1,1,0]=4 15481 B18R2.6153 CC(O)CCSc1cc2ccccc2nc1O 62a_100012276601_200009820883 [0,2,0,0,0,0|1,1,0]=4 15482 B18R2.6153 CC(O)CCSc1cc2ccccc2oc1=O 62a_100012276601_200000187772 [0,2,0,0,0,0|1,1,0]=4 15483 B18R2.6153 CC(O)CCSc1cc2cccnc2cc1F 62a_100009854028_100012276601 [0,2,0,0,0,0|1,1,0]=4 15484 B18R2.6153 CC(O)CCSc1cc2cccnc2cc1F 62a_100012276601_100009854028 [0,2,0,0,0,0|1,1,0]=4 15485 B18R2.6153 CC(O)CCSc1cc2ccncc2cc1F 62a_100011105921_100012276601 [0,2,0,0,0,0|1,1,0]=4 15486 B18R2.6153 CC(O)CCSc1cc2ccncc2cc1F 62a_100012276601_100011105921 [0,2,0,0,0,0|1,1,0]=4 15487 B18R2.6153 CC(O)CCSc1cc2cnccc2cc1F 62a_100010244713_100012276601 [0,2,0,0,0,0|1,1,0]=4 15488 B18R2.6153 CC(O)CCSc1cc2cnccc2cc1F 62a_100012276601_100010244713 [0,2,0,0,0,0|1,1,0]=4 15489 B18R2.6153 CC(O)CCSc1cc2ncccc2cc1O 62a_100012276601_200010153759 [0,2,0,0,0,0|1,1,0]=4 15490 B18R2.6153 CC(O)CCSc1nc2ccccc2cc1Br 62a_100010072790_100012276601 [0,2,0,0,0,0|1,1,0]=4 15491 B18R2.6153 CC(O)CCSc1nc2ccccc2cc1Br 62a_100012276601_100010072790 [0,2,0,0,0,0|1,1,0]=4 15492 B18R2.6153 CC(O)CCSc1nc2ccccc2cc1O 62a_100012276601_200000100762 [0,2,0,0,0,0|1,1,0]=4 15493 B18R2.6153 CN(C)CCNc1cc2ccccc2cc1Br 7a_100009991566_100000755713 [0,2,0,0,0,0|2,0,0]=4 15494 B18R2.6153 CN(C)CCOc1cc2ccccc2cc1Br 7a_100009817189_100000755713 [0,2,0,0,0,0|1,0,0]=3 15495 B18R2.6153 CN(C)CCOc1cc2ccccc2cc1N 7a_106744474703_100000755713 [0,2,0,0,0,0|1,0,0]=3 15496 B18R2.6153 CN(C)CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000755713 [0,2,0,0,0,0|2,0,0]=4 15497 B18R2.6153 CN(C)CCOc1cc2ccccc2oc1=O 7a_100000061252_100000755713 [0,2,0,0,0,0|2,0,0]=4 15498 B18R2.6153 CN(C)CCOc1cc2cccnc2cc1Br 7a_200010153759_100000755713 [0,2,0,0,0,0|2,0,0]=4 15499 B18R2.6153 CN(C)CCSc1cc2ccccc2cc1Br 62a_200010169544_100000755713 [0,2,0,0,0,0|1,1,0]=4 15500 B18R2.6153 CN(C)CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000755713 [0,2,0,0,0,0|1,1,0]=4 15501 B18R2.6153 CN(C)CCSc1cc2ccccc2cc1N 62a_100009991566_100000755713 [0,2,0,0,0,0|1,1,0]=4 15502 B18R2.6153 Cc1cc2ccccc2cc1OCCC(=O)N 34a_100000091601_100000731001 [0,2,0,0,0,0|1,0,1]=4 15503 B18R2.6153 Cc1cc2ccccc2cc1OCCC(=O)N 7a_100000091601_100000744528 [0,2,0,0,0,0|1,0,1]=4 15504 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)C 34a_100000091601_100000210312 [0,2,0,0,0,0|0,0,0]=2 15505 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)C 7a_100000091601_100000210626 [0,2,0,0,0,0|0,0,0]=2 15506 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)O 34a_100000091601_100012276601 [0,2,0,0,0,0|0,0,0]=2 15507 B18R2.6153 Cc1cc2ccccc2cc1OCCC(C)O 7a_100000091601_100012276601 [0,2,0,0,0,0|0,0,0]=2 15508 B18R2.6153 Cc1cc2ccccc2cc1OCCN(C)C 7a_100000091601_100000755713 [0,2,0,0,0,0|1,0,0]=3 15509 B18R2.6153 Cc1cc2ccccc2cc1OCOC(C)C 34a_100000091601_100000709892 [0,2,0,0,0,0|1,0,0]=3 15510 B18R2.6153 Cc1cc2ccccc2nc1NCCC(C)C 27a_100000210545_100000751756 [0,2,0,0,0,0|2,0,0]=4 15511 B18R2.6153 Cc1cc2ccccc2nc1NCCC(C)O 27a_200000755665_100000751756 [0,2,0,0,0,0|2,0,0]=4 15512 B18R2.6153 Cc1cc2ccccc2nc1SCCC(C)C 62a_100000210312_100000751756 [0,2,0,0,0,0|1,1,0]=4 15513 B18R2.6153 Cc1cc2ccccc2nc1SCCC(C)O 62a_100012276601_100000751756 [0,2,0,0,0,0|1,1,0]=4 15514 B18R2.6153 Cc1cc2ncccc2cc1SCCC(C)C 62a_100000210312_100010137429 [0,2,0,0,0,0|1,1,0]=4 15515 B18R2.6153 Cc1cc2ncccc2cc1SCCC(C)C 62a_100010137429_100000210312 [0,2,0,0,0,0|1,1,0]=4 15516 B18R2.6153 Cc1cc2ncccc2cc1SCCC(C)O 62a_100010137429_100012276601 [0,2,0,0,0,0|1,1,0]=4 15517 B18R2.6153 Cc1cc2ncccc2cc1SCCC(C)O 62a_100012276601_100010137429 [0,2,0,0,0,0|1,1,0]=4 15518 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)C 34a_200000079175_100000210312 [0,2,0,0,0,0|1,0,0]=3 15519 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)C 7a_200000079175_100000210626 [0,2,0,0,0,0|1,0,0]=3 15520 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)O 34a_200000079175_100012276601 [0,2,0,0,0,0|1,0,0]=3 15521 B18R2.6153 Cc1nc2ccccc2cc1OCCC(C)O 7a_200000079175_100012276601 [0,2,0,0,0,0|1,0,0]=3 15522 B18R2.6153 Cc1nc2ccccc2cc1OCCN(C)C 7a_200000079175_100000755713 [0,2,0,0,0,0|2,0,0]=4 15523 B18R2.6153 Cc1nc2ccccc2cc1OCOC(C)C 34a_200000079175_100000709892 [0,2,0,0,0,0|2,0,0]=4 15524 B18R2.6153 NC(=O)CCOc1cc2ccccc2cc1Br 34a_100009817189_100000731001 [0,2,0,0,0,0|1,0,1]=4 15525 B18R2.6153 NC(=O)CCOc1cc2ccccc2cc1Br 7a_100009817189_100000744528 [0,2,0,0,0,0|1,0,1]=4 15526 B18R2.6153 NC(=O)CCOc1cc2ccccc2cc1N 34a_106744474703_100000731001 [0,2,0,0,0,0|1,0,1]=4 15527 B18R2.6153 NC(=O)CCOc1cc2ccccc2cc1N 7a_106744474703_100000744528 [0,2,0,0,0,0|1,0,1]=4 15528 B18R2.9469 C#CC(C)NCCc1ccc2ccccc2c1 34a_100000746582_200000035995 [0,2,0,0,0,0|2,0,0]=4 15529 B18R2.9469 C#CC(C)OCCc1ccc2ccccc2c1 34a_100000755654_200000035995 [0,2,0,0,0,0|2,0,0]=4 15530 B18R2.9469 C=CC(C)COCc1ccc2ccccc2c1 34a_100011215527_100011216711 [0,2,0,0,0,0|0,0,2]=4 15531 B18R2.9469 C=CC(C)COCc1ccc2ccccc2c1 7a_100011215527_100011216711 [0,2,0,0,0,0|0,0,2]=4 15532 B18R2.9469 C=CC(O)COCc1ccc2ccccc2c1 34a_100011215330_100000730141 [0,2,0,0,0,0|0,0,2]=4 15533 B18R2.9469 C=CC(O)COCc1ccc2ccccc2c1 7a_100011215330_100000730141 [0,2,0,0,0,0|0,0,2]=4 15534 B18R2.9469 C=C[C@H](N)COCc1ccc2ccccc2c1 34a_100016989147_100011216711 [0,2,0,0,0,0|0,0,2]=4 15535 B18R2.9469 CC(C#N)NCCc1ccc2ccccc2c1 2230a_100000746582_100000184139 [0,2,0,0,0,0|2,0,0]=4 15536 B18R2.9469 CC(C#N)OCCc1ccc2ccccc2c1 7a_100000755654_100000703298 [0,2,0,0,0,0|2,0,0]=4 15537 B18R2.9469 CC(CN)COCc1cc2ccccc2cn1 34a_100000744482_100009869231 [0,2,0,0,0,0|2,0,0]=4 15538 B18R2.9469 CC(CN)COCc1ccc2ccccc2c1 34a_100000744482_100011216711 [0,2,0,0,0,0|1,0,0]=3 15539 B18R2.9469 CC(CN)COCc1ccc2ccccc2n1 34a_100000744482_100000737579 [0,2,0,0,0,0|2,0,0]=4 15540 B18R2.9469 CC(CN)COCc1ccc2cnccc2c1 34a_100000744482_100020605334 [0,2,0,0,0,0|2,0,0]=4 15541 B18R2.9469 CC(CN)COCc1ccc2ncccc2c1 34a_100000744482_100000703657 [0,2,0,0,0,0|2,0,0]=4 15542 B18R2.9469 CC(CO)CCNc1ccc2ccccc2n1 27a_106354213184_100011291633 [0,2,0,0,0,0|2,0,0]=4 15543 B18R2.9469 CC(CO)CNCc1ccc2ccccc2c1 207a_100000744482_100000211584 [0,2,0,0,0,0|2,0,0]=4 15544 B18R2.9469 CC(CO)CNCc1ccc2ccccc2c1 34a_100000744482_100011216711 [0,2,0,0,0,0|2,0,0]=4 15545 B18R2.9469 CC(CO)NCCc1ccc2ccccc2c1 2230a_100000746582_100012180447 [0,2,0,0,0,0|2,0,0]=4 15546 B18R2.9469 CC(CO)NCCc1ccc2ccccc2c1 34a_100000746582_100012180447 [0,2,0,0,0,0|2,0,0]=4 15547 B18R2.9469 CC(CO)OCCc1ccc2ccccc2c1 34a_100000755654_100012180447 [0,2,0,0,0,0|2,0,0]=4 15548 B18R2.9469 CC(CO)OCCc1ccc2ccccc2c1 7a_100000755654_100012180447 [0,2,0,0,0,0|2,0,0]=4 15549 B18R2.9469 CCC(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_100000210202 [0,2,0,0,0,0|1,0,0]=3 15550 B18R2.9469 CCC(=O)CCSc1ccc2ccccc2c1 1458a_200000208815_100000210202 [0,2,0,0,0,0|0,1,0]=3 15551 B18R2.9469 CCC(=O)COCc1cc2ccccc2cn1 34a_100000725409_100009869231 [0,2,0,0,0,0|1,0,1]=4 15552 B18R2.9469 CCC(=O)COCc1ccc2ccccc2c1 34a_100000725409_100011216711 [0,2,0,0,0,0|0,0,1]=3 15553 B18R2.9469 CCC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000747405 [0,2,0,0,0,0|0,0,1]=3 15554 B18R2.9469 CCC(=O)COCc1ccc2ccccc2n1 34a_100000725409_100000737579 [0,2,0,0,0,0|1,0,1]=4 15555 B18R2.9469 CCC(=O)COCc1ccc2cnccc2c1 34a_100000725409_100020605334 [0,2,0,0,0,0|1,0,1]=4 15556 B18R2.9469 CCC(=O)COCc1ccc2ncccc2c1 34a_100000725409_100000703657 [0,2,0,0,0,0|1,0,1]=4 15557 B18R2.9469 CCC(=O)CSCc1ccc2ccccc2c1 62a_100000747405_100011216711 [0,2,0,0,0,0|0,1,1]=4 15558 B18R2.9469 CCC(=O)CSCc1ccc2ccccc2c1 62a_100011216711_100000747405 [0,2,0,0,0,0|0,1,1]=4 15559 B18R2.9469 CCC(=O)NCCc1ccc2ccccc2c1 11a_100000746582_100000210414 [0,2,0,0,0,0|1,0,1]=4 15560 B18R2.9469 CCC(=O)NCCc1ccc2ccccc2c1 1626a_100000746582_100000210414 [0,2,0,0,0,0|1,0,1]=4 15561 B18R2.9469 CCC(=O)NCCc1ccc2ccccc2c1 240690a_100000746582_100000210414 [0,2,0,0,0,0|1,0,1]=4 15562 B18R2.9469 CCC(=O)NCCc1ccc2ccccc2c1 527a_100000746582_100000210414 [0,2,0,0,0,0|1,0,1]=4 15563 B18R2.9469 CCC(C)C=NNc1ccc2ccccc2c1 4a_100016987534_100000243153 [0,2,0,0,0,0|1,0,1]=4 15564 B18R2.9469 CCC(C)CCNc1ccc2ccccc2n1 27a_100020591266_100011291633 [0,2,0,0,0,0|2,0,0]=4 15565 B18R2.9469 CCC(C)CNCc1cc2ccccc2cn1 207a_100020588543_100000059776 [0,2,0,0,0,0|2,0,0]=4 15566 B18R2.9469 CCC(C)CNCc1cc2ccccc2cn1 2230a_100020588543_100009869231 [0,2,0,0,0,0|2,0,0]=4 15567 B18R2.9469 CCC(C)CNCc1cc2ccccc2cn1 270004a_100020588543_100000059776 [0,2,0,0,0,0|2,0,0]=4 15568 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 207a_100020588543_100000211584 [0,2,0,0,0,0|1,0,0]=3 15569 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 2230a_100000739491_100000748023 [0,2,0,0,0,0|1,0,0]=3 15570 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 2230a_100020588543_100011216711 [0,2,0,0,0,0|1,0,0]=3 15571 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 270004a_100000739491_100000243153 [0,2,0,0,0,0|1,0,0]=3 15572 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 270004a_100020588543_100000211584 [0,2,0,0,0,0|1,0,0]=3 15573 B18R2.9469 CCC(C)CNCc1ccc2ccccc2c1 34a_100000739491_100000748023 [0,2,0,0,0,0|1,0,0]=3 15574 B18R2.9469 CCC(C)CNCc1ccc2ccccc2n1 207a_100020588543_100000759686 [0,2,0,0,0,0|2,0,0]=4 15575 B18R2.9469 CCC(C)CNCc1ccc2ccccc2n1 2230a_100020588543_100000737579 [0,2,0,0,0,0|2,0,0]=4 15576 B18R2.9469 CCC(C)CNCc1ccc2ccccc2n1 270004a_100020588543_100000759686 [0,2,0,0,0,0|2,0,0]=4 15577 B18R2.9469 CCC(C)CNCc1ccc2cccnc2c1 207a_100020588543_100011784159 [0,2,0,0,0,0|2,0,0]=4 15578 B18R2.9469 CCC(C)CNCc1ccc2cccnc2c1 270004a_100020588543_100011784159 [0,2,0,0,0,0|2,0,0]=4 15579 B18R2.9469 CCC(C)CNCc1ccc2cnccc2c1 207a_100020588543_100000068276 [0,2,0,0,0,0|2,0,0]=4 15580 B18R2.9469 CCC(C)CNCc1ccc2cnccc2c1 2230a_100020588543_100020605334 [0,2,0,0,0,0|2,0,0]=4 15581 B18R2.9469 CCC(C)CNCc1ccc2cnccc2c1 270004a_100020588543_100000068276 [0,2,0,0,0,0|2,0,0]=4 15582 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 207a_100020588543_100000211315 [0,2,0,0,0,0|2,0,0]=4 15583 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 2230a_100020588543_100000703657 [0,2,0,0,0,0|2,0,0]=4 15584 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 270004a_100000238500_100000243153 [0,2,0,0,0,0|2,0,0]=4 15585 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 270004a_100020588543_100000211315 [0,2,0,0,0,0|2,0,0]=4 15586 B18R2.9469 CCC(C)CNCc1ccc2ncccc2c1 34a_100000238500_100000748023 [0,2,0,0,0,0|2,0,0]=4 15587 B18R2.9469 CCC(C)CNCc1cnc2ccccc2c1 207a_100020588543_100000750898 [0,2,0,0,0,0|2,0,0]=4 15588 B18R2.9469 CCC(C)CNCc1cnc2ccccc2c1 270004a_100000742225_100000243153 [0,2,0,0,0,0|2,0,0]=4 15589 B18R2.9469 CCC(C)CNCc1cnc2ccccc2c1 270004a_100020588543_100000750898 [0,2,0,0,0,0|2,0,0]=4 15590 B18R2.9469 CCC(C)CNCc1cnc2ccccc2c1 34a_100000742225_100000748023 [0,2,0,0,0,0|2,0,0]=4 15591 B18R2.9469 CCC(C)COCc1ccc2ccccc2c1 34a_100011215330_100000748023 [0,2,0,0,0,0|0,0,0]=2 15592 B18R2.9469 CCC(C)COCc1ccc2ccccc2c1 7a_100011215330_100000748023 [0,2,0,0,0,0|0,0,0]=2 15593 B18R2.9469 CCC(C)COCc1ccc2ncccc2c1 34a_100011315636_100000748023 [0,2,0,0,0,0|1,0,0]=3 15594 B18R2.9469 CCC(C)COCc1cnc2ccccc2c1 34a_100011258773_100000748023 [0,2,0,0,0,0|1,0,0]=3 15595 B18R2.9469 CCC(C)CSCc1cc2ccccc2cn1 62a_100000748023_100009869231 [0,2,0,0,0,0|1,1,0]=4 15596 B18R2.9469 CCC(C)CSCc1cc2ccccc2cn1 62a_100009869231_100000748023 [0,2,0,0,0,0|1,1,0]=4 15597 B18R2.9469 CCC(C)CSCc1ccc2ccccc2n1 62a_100000737579_100000748023 [0,2,0,0,0,0|1,1,0]=4 15598 B18R2.9469 CCC(C)CSCc1ccc2ccccc2n1 62a_100000748023_100000737579 [0,2,0,0,0,0|1,1,0]=4 15599 B18R2.9469 CCC(C)CSCc1ccc2cnccc2c1 62a_100000748023_100020605334 [0,2,0,0,0,0|1,1,0]=4 15600 B18R2.9469 CCC(C)CSCc1ccc2cnccc2c1 62a_100020605334_100000748023 [0,2,0,0,0,0|1,1,0]=4 15601 B18R2.9469 CCC(C)CSCc1ccc2ncccc2c1 62a_100000703657_100000748023 [0,2,0,0,0,0|1,1,0]=4 15602 B18R2.9469 CCC(C)CSCc1ccc2ncccc2c1 62a_100000748023_100000703657 [0,2,0,0,0,0|1,1,0]=4 15603 B18R2.9469 CCC(C)NCCc1ccc2ccccc2c1 2230a_100000746582_100000758301 [0,2,0,0,0,0|1,0,0]=3 15604 B18R2.9469 CCC(C)NCCc1ccc2ccccc2c1 34a_100000746582_100011215416 [0,2,0,0,0,0|1,0,0]=3 15605 B18R2.9469 CCC(C)NN=Cc1ccc2ccccc2c1 4a_100000718999_100000211584 [0,2,0,0,0,0|2,0,0]=4 15606 B18R2.9469 CCC(C)OCCc1ccc2ccccc2c1 34a_100000755654_100011215416 [0,2,0,0,0,0|1,0,0]=3 15607 B18R2.9469 CCC(C)OCCc1ccc2ccccc2c1 7a_100000755654_100000758301 [0,2,0,0,0,0|1,0,0]=3 15608 B18R2.9469 CCC(C)OCCc1ccc2ccccc2n1 34a_100011996444_100011215416 [0,2,0,0,0,0|2,0,0]=4 15609 B18R2.9469 CCC(O)CNCc1cc2ccccc2cn1 207a_100011218483_100000059776 [0,2,0,0,0,0|2,0,0]=4 15610 B18R2.9469 CCC(O)CNCc1cc2ccccc2cn1 2230a_100011218483_100009869231 [0,2,0,0,0,0|2,0,0]=4 15611 B18R2.9469 CCC(O)CNCc1cc2ccccc2cn1 270004a_100011218483_100000059776 [0,2,0,0,0,0|2,0,0]=4 15612 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 207a_100011218483_100000211584 [0,2,0,0,0,0|1,0,0]=3 15613 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 2230a_100000739491_100011218378 [0,2,0,0,0,0|1,0,0]=3 15614 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 2230a_100011218483_100011216711 [0,2,0,0,0,0|1,0,0]=3 15615 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 270004a_100011218483_100000211584 [0,2,0,0,0,0|1,0,0]=3 15616 B18R2.9469 CCC(O)CNCc1ccc2ccccc2c1 34a_100000739491_100011218378 [0,2,0,0,0,0|1,0,0]=3 15617 B18R2.9469 CCC(O)CNCc1ccc2ccccc2n1 207a_100011218483_100000759686 [0,2,0,0,0,0|2,0,0]=4 15618 B18R2.9469 CCC(O)CNCc1ccc2ccccc2n1 2230a_100011218483_100000737579 [0,2,0,0,0,0|2,0,0]=4 15619 B18R2.9469 CCC(O)CNCc1ccc2ccccc2n1 270004a_100011218483_100000759686 [0,2,0,0,0,0|2,0,0]=4 15620 B18R2.9469 CCC(O)CNCc1ccc2cccnc2c1 207a_100011218483_100011784159 [0,2,0,0,0,0|2,0,0]=4 15621 B18R2.9469 CCC(O)CNCc1ccc2cccnc2c1 270004a_100011218483_100011784159 [0,2,0,0,0,0|2,0,0]=4 15622 B18R2.9469 CCC(O)CNCc1ccc2cnccc2c1 207a_100011218483_100000068276 [0,2,0,0,0,0|2,0,0]=4 15623 B18R2.9469 CCC(O)CNCc1ccc2cnccc2c1 2230a_100011218483_100020605334 [0,2,0,0,0,0|2,0,0]=4 15624 B18R2.9469 CCC(O)CNCc1ccc2cnccc2c1 270004a_100011218483_100000068276 [0,2,0,0,0,0|2,0,0]=4 15625 B18R2.9469 CCC(O)CNCc1ccc2ncccc2c1 207a_100011218483_100000211315 [0,2,0,0,0,0|2,0,0]=4 15626 B18R2.9469 CCC(O)CNCc1ccc2ncccc2c1 2230a_100011218483_100000703657 [0,2,0,0,0,0|2,0,0]=4 15627 B18R2.9469 CCC(O)CNCc1ccc2ncccc2c1 270004a_100011218483_100000211315 [0,2,0,0,0,0|2,0,0]=4 15628 B18R2.9469 CCC(O)CNCc1ccc2ncccc2c1 34a_100000238500_100011218378 [0,2,0,0,0,0|2,0,0]=4 15629 B18R2.9469 CCC(O)CNCc1cnc2ccccc2c1 207a_100011218483_100000750898 [0,2,0,0,0,0|2,0,0]=4 15630 B18R2.9469 CCC(O)CNCc1cnc2ccccc2c1 270004a_100011218483_100000750898 [0,2,0,0,0,0|2,0,0]=4 15631 B18R2.9469 CCC(O)CNCc1cnc2ccccc2c1 34a_100000742225_100011218378 [0,2,0,0,0,0|2,0,0]=4 15632 B18R2.9469 CCC(O)COCc1ccc2ccccc2c1 34a_100011215330_100011218378 [0,2,0,0,0,0|0,0,0]=2 15633 B18R2.9469 CCC(O)COCc1ccc2ccccc2c1 7a_100011215330_100011218378 [0,2,0,0,0,0|0,0,0]=2 15634 B18R2.9469 CCC(O)COCc1ccc2ncccc2c1 34a_100011315636_100011218378 [0,2,0,0,0,0|1,0,0]=3 15635 B18R2.9469 CCC(O)COCc1cnc2ccccc2c1 34a_100011258773_100011218378 [0,2,0,0,0,0|1,0,0]=3 15636 B18R2.9469 CCC(O)CSCc1cc2ccccc2cn1 62a_100009869231_100011218378 [0,2,0,0,0,0|1,1,0]=4 15637 B18R2.9469 CCC(O)CSCc1cc2ccccc2cn1 62a_100011218378_100009869231 [0,2,0,0,0,0|1,1,0]=4 15638 B18R2.9469 CCC(O)CSCc1ccc2ccccc2c1 62a_100011216711_100011218378 [0,2,0,0,0,0|0,1,0]=3 15639 B18R2.9469 CCC(O)CSCc1ccc2ccccc2c1 62a_100011218378_100011216711 [0,2,0,0,0,0|0,1,0]=3 15640 B18R2.9469 CCC(O)CSCc1ccc2ccccc2n1 62a_100000737579_100011218378 [0,2,0,0,0,0|1,1,0]=4 15641 B18R2.9469 CCC(O)CSCc1ccc2ccccc2n1 62a_100011218378_100000737579 [0,2,0,0,0,0|1,1,0]=4 15642 B18R2.9469 CCC(O)CSCc1ccc2cnccc2c1 62a_100011218378_100020605334 [0,2,0,0,0,0|1,1,0]=4 15643 B18R2.9469 CCC(O)CSCc1ccc2cnccc2c1 62a_100020605334_100011218378 [0,2,0,0,0,0|1,1,0]=4 15644 B18R2.9469 CCC(O)CSCc1ccc2ncccc2c1 62a_100000703657_100011218378 [0,2,0,0,0,0|1,1,0]=4 15645 B18R2.9469 CCC(O)CSCc1ccc2ncccc2c1 62a_100011218378_100000703657 [0,2,0,0,0,0|1,1,0]=4 15646 B18R2.9469 CC[C@H](C)CNCc1ccc2ccccc2c1 2230a_100000739491_100009816398 [0,2,0,0,0,0|1,0,0]=3 15647 B18R2.9469 CC[C@H](C)CNCc1ccc2ccccc2c1 34a_100000739491_100009816398 [0,2,0,0,0,0|1,0,0]=3 15648 B18R2.9469 CC[C@H](C)CNCc1ccc2ncccc2c1 34a_100000238500_100009816398 [0,2,0,0,0,0|2,0,0]=4 15649 B18R2.9469 CC[C@H](C)CNCc1cnc2ccccc2c1 34a_100000742225_100009816398 [0,2,0,0,0,0|2,0,0]=4 15650 B18R2.9469 CC[C@H](C)COCc1cc2ccccc2cn1 7a_100009816381_100009869231 [0,2,0,0,0,0|1,0,0]=3 15651 B18R2.9469 CC[C@H](C)COCc1ccc2ccccc2c1 34a_100011215330_100009816398 [0,2,0,0,0,0|0,0,0]=2 15652 B18R2.9469 CC[C@H](C)COCc1ccc2ccccc2c1 7a_100009816381_100011216711 [0,2,0,0,0,0|0,0,0]=2 15653 B18R2.9469 CC[C@H](C)COCc1ccc2ccccc2c1 7a_100011215330_100009816398 [0,2,0,0,0,0|0,0,0]=2 15654 B18R2.9469 CC[C@H](C)COCc1ccc2ccccc2n1 7a_100009816381_100000737579 [0,2,0,0,0,0|1,0,0]=3 15655 B18R2.9469 CC[C@H](C)COCc1ccc2cnccc2c1 7a_100009816381_100020605334 [0,2,0,0,0,0|1,0,0]=3 15656 B18R2.9469 CC[C@H](C)COCc1ccc2ncccc2c1 34a_100011315636_100009816398 [0,2,0,0,0,0|1,0,0]=3 15657 B18R2.9469 CC[C@H](C)COCc1ccc2ncccc2c1 7a_100009816381_100000703657 [0,2,0,0,0,0|1,0,0]=3 15658 B18R2.9469 CC[C@H](C)COCc1ccc2nccnc2c1 7a_100009816381_200011762199 [0,2,0,0,0,0|2,0,0]=4 15659 B18R2.9469 CC[C@H](C)COCc1cnc2ccccc2c1 34a_100011258773_100009816398 [0,2,0,0,0,0|1,0,0]=3 15660 B18R2.9469 CC[C@H](C)COCc1cnc2ccccc2n1 7a_100009816381_200000751123 [0,2,0,0,0,0|2,0,0]=4 15661 B18R2.9469 CC[C@H](C)COCc1ncc2ccccc2n1 7a_100009816381_100009868571 [0,2,0,0,0,0|2,0,0]=4 15662 B18R2.9469 CC[C@H](C)CSCc1cc2ccccc2cn1 62a_100009816398_100009869231 [0,2,0,0,0,0|1,1,0]=4 15663 B18R2.9469 CC[C@H](C)CSCc1cc2ccccc2cn1 62a_100009869231_100009816398 [0,2,0,0,0,0|1,1,0]=4 15664 B18R2.9469 CC[C@H](C)CSCc1ccc2ccccc2n1 62a_100000737579_100009816398 [0,2,0,0,0,0|1,1,0]=4 15665 B18R2.9469 CC[C@H](C)CSCc1ccc2ccccc2n1 62a_100009816398_100000737579 [0,2,0,0,0,0|1,1,0]=4 15666 B18R2.9469 CC[C@H](C)CSCc1ccc2cnccc2c1 62a_100009816398_100020605334 [0,2,0,0,0,0|1,1,0]=4 15667 B18R2.9469 CC[C@H](C)CSCc1ccc2cnccc2c1 62a_100020605334_100009816398 [0,2,0,0,0,0|1,1,0]=4 15668 B18R2.9469 CC[C@H](C)CSCc1ccc2ncccc2c1 62a_100000703657_100009816398 [0,2,0,0,0,0|1,1,0]=4 15669 B18R2.9469 CC[C@H](C)CSCc1ccc2ncccc2c1 62a_100009816398_100000703657 [0,2,0,0,0,0|1,1,0]=4 15670 B18R2.9469 CNC(=O)CCCc1ccc2ccccc2c1 11a_106832991635_100000697136 [0,2,0,0,0,0|1,0,1]=4 15671 B18R2.9469 CNC(=O)CCCc1ccc2ccccc2c1 1626a_100102657272_100000697136 [0,2,0,0,0,0|1,0,1]=4 15672 B18R2.9469 CNC(=O)CCCc1ccc2ccccc2c1 240690a_100102657272_100000697136 [0,2,0,0,0,0|1,0,1]=4 15673 B18R2.9469 CNC(=O)CCCc1ccc2ccccc2c1 527a_100102657272_100000697136 [0,2,0,0,0,0|1,0,1]=4 15674 B18R2.9469 CNC(=O)CCNc1ccc2ccccc2c1 34a_100000211940_100012179268 [0,2,0,0,0,0|1,0,1]=4 15675 B18R2.9469 CNC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000737683 [0,2,0,0,0,0|1,0,1]=4 15676 B18R2.9469 CNC(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100012179268 [0,2,0,0,0,0|0,0,1]=3 15677 B18R2.9469 CNC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000737683 [0,2,0,0,0,0|0,0,1]=3 15678 B18R2.9469 CNC(=O)CCOc1ccc2cccnc2c1 34a_100011216045_100012179268 [0,2,0,0,0,0|1,0,1]=4 15679 B18R2.9469 CNC(=O)CCOc1ccc2ccncc2c1 7a_100000752006_100000737683 [0,2,0,0,0,0|1,0,1]=4 15680 B18R2.9469 CNC(=O)CCOc1ccc2cnccc2c1 34a_100000046372_100012179268 [0,2,0,0,0,0|1,0,1]=4 15681 B18R2.9469 CNC(=O)CCOc1ccc2cnccc2c1 7a_100000046372_100000737683 [0,2,0,0,0,0|1,0,1]=4 15682 B18R2.9469 CNC(=O)CCOc1ccc2ncccc2c1 34a_100011215586_100012179268 [0,2,0,0,0,0|1,0,1]=4 15683 B18R2.9469 CNC(=O)CCOc1ccc2ncccc2c1 7a_100011215586_100000737683 [0,2,0,0,0,0|1,0,1]=4 15684 B18R2.9469 CNC(=O)CCOc1cnc2ccccc2c1 34a_100011934006_100012179268 [0,2,0,0,0,0|1,0,1]=4 15685 B18R2.9469 CNC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000737683 [0,2,0,0,0,0|1,0,1]=4 15686 B18R2.9469 CNC(=O)CCSc1ccc2ccccc2c1 11a_106832991635_200000208815 [0,2,0,0,0,0|0,1,1]=4 15687 B18R2.9469 CNC(=O)CCSc1ccc2ccccc2c1 1626a_100102657272_200000208815 [0,2,0,0,0,0|0,1,1]=4 15688 B18R2.9469 CNC(=O)CCSc1ccc2ccccc2c1 240690a_100102657272_200000208815 [0,2,0,0,0,0|0,1,1]=4 15689 B18R2.9469 CNC(=O)CCSc1ccc2ccccc2c1 62a_100000737683_100000233703 [0,2,0,0,0,0|0,1,1]=4 15690 B18R2.9469 CNC(=O)COCc1ccc2ccccc2c1 34a_100000750040_100011216711 [0,2,0,0,0,0|1,0,1]=4 15691 B18R2.9469 CNC(=O)COCc1ccc2ccccc2c1 34a_100011215330_100000183359 [0,2,0,0,0,0|1,0,1]=4 15692 B18R2.9469 CNC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000183359 [0,2,0,0,0,0|1,0,1]=4 15693 B18R2.9469 COC(=O)CCNc1ccc2ccccc2c1 34a_100000211940_100000742370 [0,2,0,0,0,0|1,0,1]=4 15694 B18R2.9469 COC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000204255 [0,2,0,0,0,0|1,0,1]=4 15695 B18R2.9469 COC(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100000742370 [0,2,0,0,0,0|0,0,1]=3 15696 B18R2.9469 COC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000204255 [0,2,0,0,0,0|0,0,1]=3 15697 B18R2.9469 COC(=O)CCOc1ccc2cccnc2c1 34a_100011216045_100000742370 [0,2,0,0,0,0|1,0,1]=4 15698 B18R2.9469 COC(=O)CCOc1ccc2ccncc2c1 7a_100000752006_100000204255 [0,2,0,0,0,0|1,0,1]=4 15699 B18R2.9469 COC(=O)CCOc1ccc2cnccc2c1 34a_100000046372_100000742370 [0,2,0,0,0,0|1,0,1]=4 15700 B18R2.9469 COC(=O)CCOc1ccc2cnccc2c1 7a_100000046372_100000204255 [0,2,0,0,0,0|1,0,1]=4 15701 B18R2.9469 COC(=O)CCOc1ccc2ncccc2c1 34a_100011215586_100000742370 [0,2,0,0,0,0|1,0,1]=4 15702 B18R2.9469 COC(=O)CCOc1ccc2ncccc2c1 7a_100011215586_100000204255 [0,2,0,0,0,0|1,0,1]=4 15703 B18R2.9469 COC(=O)CCOc1cnc2ccccc2c1 34a_100011934006_100000742370 [0,2,0,0,0,0|1,0,1]=4 15704 B18R2.9469 COC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000204255 [0,2,0,0,0,0|1,0,1]=4 15705 B18R2.9469 COC(=O)CCSc1ccc2ccccc2c1 62a_100000204255_100000233703 [0,2,0,0,0,0|0,1,1]=4 15706 B18R2.9469 COC(=O)COCc1ccc2ccccc2c1 34a_100011215330_100000747449 [0,2,0,0,0,0|1,0,1]=4 15707 B18R2.9469 COC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000747449 [0,2,0,0,0,0|1,0,1]=4 15708 B18R2.9469 COC(C)COCc1cc2ccccc2cn1 34a_100000690652_100009869231 [0,2,0,0,0,0|2,0,0]=4 15709 B18R2.9469 COC(C)COCc1ccc2ccccc2c1 34a_100000690652_100011216711 [0,2,0,0,0,0|1,0,0]=3 15710 B18R2.9469 COC(C)COCc1ccc2ccccc2n1 34a_100000690652_100000737579 [0,2,0,0,0,0|2,0,0]=4 15711 B18R2.9469 COC(C)COCc1ccc2cnccc2c1 34a_100000690652_100020605334 [0,2,0,0,0,0|2,0,0]=4 15712 B18R2.9469 COC(C)COCc1ccc2ncccc2c1 34a_100000690652_100000703657 [0,2,0,0,0,0|2,0,0]=4 15713 B18R2.9469 CO[C@H](C)CNCc1ccc2ccccc2c1 207a_100020591295_100000211584 [0,2,0,0,0,0|2,0,0]=4 15714 B18R2.9469 CO[C@H](C)CNCc1ccc2ccccc2c1 2230a_100020591295_100011216711 [0,2,0,0,0,0|2,0,0]=4 15715 B18R2.9469 CO[C@H](C)CNCc1ccc2ccccc2c1 270004a_100020591295_100000211584 [0,2,0,0,0,0|2,0,0]=4 15716 B18R2.9469 C[C@@H](CO)CNCc1ccc2ccccc2c1 2230a_100000739491_100000059175 [0,2,0,0,0,0|2,0,0]=4 15717 B18R2.9469 C[C@@H](CO)CNCc1ccc2ccccc2c1 34a_100000739491_100000059175 [0,2,0,0,0,0|2,0,0]=4 15718 B18R2.9469 C[C@@H](CO)COCc1ccc2ccccc2c1 34a_100011215330_100000059175 [0,2,0,0,0,0|1,0,0]=3 15719 B18R2.9469 C[C@@H](CO)COCc1ccc2ccccc2c1 7a_100011215330_100000059175 [0,2,0,0,0,0|1,0,0]=3 15720 B18R2.9469 C[C@@H](CO)COCc1ccc2ncccc2c1 34a_100011315636_100000059175 [0,2,0,0,0,0|2,0,0]=4 15721 B18R2.9469 C[C@@H](CO)COCc1cnc2ccccc2c1 34a_100011258773_100000059175 [0,2,0,0,0,0|2,0,0]=4 15722 B18R2.9469 C[C@@H](CO)CSCc1ccc2ccccc2c1 62a_100000059175_100011216711 [0,2,0,0,0,0|1,1,0]=4 15723 B18R2.9469 C[C@@H](CO)CSCc1ccc2ccccc2c1 62a_100011216711_100000059175 [0,2,0,0,0,0|1,1,0]=4 15724 B18R2.9469 ClCC(Cl)COCc1cc2ccccc2cn1 34a_100000033668_100009869231 [0,2,0,0,0,0|2,0,0]=4 15725 B18R2.9469 ClCC(Cl)COCc1ccc2ccccc2c1 34a_100000033668_100011216711 [0,2,0,0,0,0|1,0,0]=3 15726 B18R2.9469 ClCC(Cl)COCc1ccc2ccccc2n1 34a_100000033668_100000737579 [0,2,0,0,0,0|2,0,0]=4 15727 B18R2.9469 ClCC(Cl)COCc1ccc2cnccc2c1 34a_100000033668_100020605334 [0,2,0,0,0,0|2,0,0]=4 15728 B18R2.9469 ClCC(Cl)COCc1ccc2ncccc2c1 34a_100000033668_100000703657 [0,2,0,0,0,0|2,0,0]=4 15729 B18R2.9469 NC[C@@H](F)COCc1cc2ccccc2cn1 34a_100015665980_100009869231 [0,2,0,0,0,0|2,0,0]=4 15730 B18R2.9469 NC[C@@H](F)COCc1ccc2ccccc2c1 34a_100015665980_100011216711 [0,2,0,0,0,0|1,0,0]=3 15731 B18R2.9469 NC[C@@H](F)COCc1ccc2ccccc2n1 34a_100015665980_100000737579 [0,2,0,0,0,0|2,0,0]=4 15732 B18R2.9469 NC[C@@H](F)COCc1ccc2cnccc2c1 34a_100015665980_100020605334 [0,2,0,0,0,0|2,0,0]=4 15733 B18R2.9469 NC[C@@H](F)COCc1ccc2ncccc2c1 34a_100015665980_100000703657 [0,2,0,0,0,0|2,0,0]=4 15734 B18R2.9469 O=C(CF)CCCc1ccc2ccccc2c1 1458a_100000697136_100015361967 [0,2,0,0,0,0|1,0,1]=4 15735 B18R2.9469 O=C(CF)CCSc1ccc2ccccc2c1 1458a_200000208815_100015361967 [0,2,0,0,0,0|0,1,1]=4 15736 B18R2.9469 OCC(O)CNCc1ccc2ccccc2c1 2230a_100000739491_100011219619 [0,2,0,0,0,0|2,0,0]=4 15737 B18R2.9469 OCC(O)CNCc1ccc2ccccc2c1 34a_100000739491_100011219619 [0,2,0,0,0,0|2,0,0]=4 15738 B18R2.9469 OCC(O)COCc1ccc2ccccc2c1 34a_100011215330_100011219619 [0,2,0,0,0,0|1,0,0]=3 15739 B18R2.9469 OCC(O)COCc1ccc2ccccc2c1 7a_100011215330_100011219619 [0,2,0,0,0,0|1,0,0]=3 15740 B18R2.9469 OCC(O)COCc1ccc2ncccc2c1 34a_100011315636_100011219619 [0,2,0,0,0,0|2,0,0]=4 15741 B18R2.9469 OCC(O)COCc1cnc2ccccc2c1 34a_100011258773_100011219619 [0,2,0,0,0,0|2,0,0]=4 15742 B18R2.9469 OCC(O)CSCc1ccc2ccccc2c1 62a_100011216711_100011219619 [0,2,0,0,0,0|1,1,0]=4 15743 B18R2.9469 OCC(O)CSCc1ccc2ccccc2c1 62a_100011219619_100011216711 [0,2,0,0,0,0|1,1,0]=4 15744 B18R2.9469 OC[C@@H](O)CNCc1ccc2ccccc2c1 207a_100020644852_100000211584 [0,2,0,0,0,0|2,0,0]=4 15745 B18R2.9469 OC[C@@H](O)CNCc1ccc2ccccc2c1 2230a_100020644852_100011216711 [0,2,0,0,0,0|2,0,0]=4 15746 B18R2.9469 OC[C@H](F)CNCc1ccc2ccccc2c1 207a_100015665980_100000211584 [0,2,0,0,0,0|2,0,0]=4 15747 B18R2.9469 OC[C@H](F)CNCc1ccc2ccccc2c1 270004a_100015665980_100000211584 [0,2,0,0,0,0|2,0,0]=4 15748 B18R2.9469 OC[C@H](F)CNCc1ccc2ccccc2c1 34a_100015665980_100011216711 [0,2,0,0,0,0|2,0,0]=4 15749 B18R2.9469 OC[C@H](O)CNCc1ccc2ccccc2c1 2230a_100000739491_100009815848 [0,2,0,0,0,0|2,0,0]=4 15750 B18R2.9469 OC[C@H](O)CNCc1ccc2ccccc2c1 34a_100000739491_100009815848 [0,2,0,0,0,0|2,0,0]=4 15751 B18R2.9469 OC[C@H](O)COCc1ccc2ccccc2c1 34a_100011215330_100009815848 [0,2,0,0,0,0|1,0,0]=3 15752 B18R2.9469 OC[C@H](O)COCc1ccc2ccccc2c1 7a_100011215330_100009815848 [0,2,0,0,0,0|1,0,0]=3 15753 B18R2.9469 OC[C@H](O)COCc1ccc2ncccc2c1 34a_100011315636_100009815848 [0,2,0,0,0,0|2,0,0]=4 15754 B18R2.9469 OC[C@H](O)COCc1cnc2ccccc2c1 34a_100011258773_100009815848 [0,2,0,0,0,0|2,0,0]=4 15755 B18R2.9469 OC[C@H](O)CSCc1ccc2ccccc2c1 62a_100009815848_100011216711 [0,2,0,0,0,0|1,1,0]=4 15756 B18R2.9469 OC[C@H](O)CSCc1ccc2ccccc2c1 62a_100011216711_100009815848 [0,2,0,0,0,0|1,1,0]=4 15757 B18R2.9469 O[C@@H](CF)CNCc1ccc2ccccc2c1 2230a_100000739491_100015614560 [0,2,0,0,0,0|2,0,0]=4 15758 B18R2.9469 O[C@@H](CF)CNCc1ccc2ccccc2c1 34a_100000739491_100015614560 [0,2,0,0,0,0|2,0,0]=4 15759 B18R2.9469 O[C@@H](CF)COCc1ccc2ccccc2c1 34a_100011215330_100015614560 [0,2,0,0,0,0|1,0,0]=3 15760 B18R2.9469 O[C@@H](CF)COCc1ccc2ccccc2c1 7a_100011215330_100015614560 [0,2,0,0,0,0|1,0,0]=3 15761 B18R2.9469 O[C@@H](CF)COCc1ccc2ncccc2c1 34a_100011315636_100015614560 [0,2,0,0,0,0|2,0,0]=4 15762 B18R2.9469 O[C@@H](CF)COCc1cnc2ccccc2c1 34a_100011258773_100015614560 [0,2,0,0,0,0|2,0,0]=4 15763 B18R2.9469 O[C@@H](CF)CSCc1ccc2ccccc2c1 62a_100011216711_100015614560 [0,2,0,0,0,0|1,1,0]=4 15764 B18R2.9469 O[C@@H](CF)CSCc1ccc2ccccc2c1 62a_100015614560_100011216711 [0,2,0,0,0,0|1,1,0]=4 15765 B18R2.14560 CC(C)(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000755188 [0,2,0,0,0,0|1,0,0]=3 15766 B18R2.14560 CC(C)(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000755188 [0,2,0,0,0,0|1,0,0]=3 15767 B18R2.14560 CC(C)(C)CCNc1ccc2ccccc2n1 27a_100000738805_100011291633 [0,2,0,0,0,0|2,0,0]=4 15768 B18R2.14560 CC(C)(C)CCNc1ccc2cccnc2c1 34a_100102887122_100000755188 [0,2,0,0,0,0|2,0,0]=4 15769 B18R2.14560 CC(C)(C)CCNc1ccc2cnccc2c1 34a_100000039641_100000755188 [0,2,0,0,0,0|2,0,0]=4 15770 B18R2.14560 CC(C)(C)CCNc1ccc2ncccc2c1 34a_100011198106_100000755188 [0,2,0,0,0,0|2,0,0]=4 15771 B18R2.14560 CC(C)(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000755188 [0,2,0,0,0,0|0,0,0]=2 15772 B18R2.14560 CC(C)(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000755188 [0,2,0,0,0,0|0,0,0]=2 15773 B18R2.14560 CC(C)(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000755188 [0,2,0,0,0,0|1,0,0]=3 15774 B18R2.14560 CC(C)(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000755188 [0,2,0,0,0,0|1,0,0]=3 15775 B18R2.14560 CC(C)(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000755188 [0,2,0,0,0,0|1,0,0]=3 15776 B18R2.14560 CC(C)(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000755188 [0,2,0,0,0,0|1,0,0]=3 15777 B18R2.14560 CC(C)(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000755188 [0,2,0,0,0,0|1,0,0]=3 15778 B18R2.14560 CC(C)(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000755188 [0,2,0,0,0,0|1,0,0]=3 15779 B18R2.14560 CC(C)(C)CCOc1ccc2nccnc2c1 34a_100000694412_100000755188 [0,2,0,0,0,0|2,0,0]=4 15780 B18R2.14560 CC(C)(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000755188 [0,2,0,0,0,0|1,0,0]=3 15781 B18R2.14560 CC(C)(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000755188 [0,2,0,0,0,0|1,0,0]=3 15782 B18R2.14560 CC(C)(C)CCSc1cc2ccccc2cn1 62a_100000755188_100000047361 [0,2,0,0,0,0|1,1,0]=4 15783 B18R2.14560 CC(C)(C)CCSc1cc2ccccc2cn1 62a_100009816522_100000755188 [0,2,0,0,0,0|1,1,0]=4 15784 B18R2.14560 CC(C)(C)CCSc1ccc2ccccc2n1 62a_100000755188_100011291633 [0,2,0,0,0,0|1,1,0]=4 15785 B18R2.14560 CC(C)(C)CCSc1ccc2ccccc2n1 62a_100011291633_100000755188 [0,2,0,0,0,0|1,1,0]=4 15786 B18R2.14560 CC(C)(C)CCSc1ccc2cccnc2c1 62a_100000755188_100009816655 [0,2,0,0,0,0|1,1,0]=4 15787 B18R2.14560 CC(C)(C)CCSc1ccc2ccncc2c1 62a_100000686496_100000755188 [0,2,0,0,0,0|1,1,0]=4 15788 B18R2.14560 CC(C)(C)CCSc1ccc2ccncc2c1 62a_100000755188_100000686496 [0,2,0,0,0,0|1,1,0]=4 15789 B18R2.14560 CC(C)(C)CCSc1ccc2cnccc2c1 62a_100000755188_100009816743 [0,2,0,0,0,0|1,1,0]=4 15790 B18R2.14560 CC(C)(C)CCSc1ccc2cnccc2c1 62a_100009816743_100000755188 [0,2,0,0,0,0|1,1,0]=4 15791 B18R2.14560 CC(C)(C)CCSc1ccc2ncccc2c1 62a_100000755188_100011215947 [0,2,0,0,0,0|1,1,0]=4 15792 B18R2.14560 CC(C)(C)CCSc1ccc2ncccc2c1 62a_100011215947_100000755188 [0,2,0,0,0,0|1,1,0]=4 15793 B18R2.14560 CC(C)(C)CCSc1cnc2ccccc2c1 62a_100000755188_100000737414 [0,2,0,0,0,0|1,1,0]=4 15794 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 207a_100000743828_100000211584 [0,2,0,0,0,0|2,0,0]=4 15795 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 2230a_100000743828_100011216711 [0,2,0,0,0,0|2,0,0]=4 15796 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 270004a_100000739491_100011204126 [0,2,0,0,0,0|2,0,0]=4 15797 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 270004a_100000743828_100000211584 [0,2,0,0,0,0|2,0,0]=4 15798 B18R2.14560 CC(C)(C)CNCc1ccc2ccccc2c1 34a_100000739491_100011219605 [0,2,0,0,0,0|2,0,0]=4 15799 B18R2.14560 CC(C)(C)COCc1ccc2ccccc2c1 34a_100011215330_100011219605 [0,2,0,0,0,0|2,0,0]=4 15800 B18R2.14560 CC(C)(C)NCCc1ccc2ccccc2c1 34a_100000746582_100000210625 [0,2,0,0,0,0|2,0,0]=4 15801 B18R2.14560 CC(C)(C)OCCc1ccc2ccccc2c1 34a_100000755654_100000210625 [0,2,0,0,0,0|2,0,0]=4 15802 B18R2.14560 CC(C)(F)CCNc1ccc2ccccc2n1 27a_100016253952_100011291633 [0,2,0,0,0,0|2,0,0]=4 15803 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2c1 207a_100020643315_100000211584 [0,2,0,0,0,0|2,0,0]=4 15804 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2c1 2230a_100020643315_100011216711 [0,2,0,0,0,0|2,0,0]=4 15805 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2c1 270004a_100020643315_100000211584 [0,2,0,0,0,0|2,0,0]=4 15806 B18R2.14560 CC(C)(F)CNCc1ccc2ccccc2c1 34a_100000739491_100011997219 [0,2,0,0,0,0|2,0,0]=4 15807 B18R2.14560 CC(C)(F)COCc1ccc2ccccc2c1 34a_100000716592_100011216711 [0,2,0,0,0,0|2,0,0]=4 15808 B18R2.14560 CC(C)(F)COCc1ccc2ccccc2c1 34a_100011215330_100011997219 [0,2,0,0,0,0|2,0,0]=4 15809 B18R2.14560 CC(C)(F)CSCc1ccc2ccccc2c1 62a_100011216711_100011997219 [0,2,0,0,0,0|2,0,0]=4 15810 B18R2.14560 CC(C)(F)CSCc1ccc2ccccc2c1 62a_100011997219_100011216711 [0,2,0,0,0,0|2,0,0]=4 15811 B18R2.14560 CC(C)(O)CCNc1ccc2ccccc2c1 34a_100000211940_100000702414 [0,2,0,0,0,0|1,0,0]=3 15812 B18R2.14560 CC(C)(O)CCNc1ccc2ccccc2c1 7a_100000211940_100000702414 [0,2,0,0,0,0|1,0,0]=3 15813 B18R2.14560 CC(C)(O)CCNc1ccc2ccccc2n1 27a_100000707701_100011291633 [0,2,0,0,0,0|2,0,0]=4 15814 B18R2.14560 CC(C)(O)CCNc1ccc2cccnc2c1 34a_100102887122_100000702414 [0,2,0,0,0,0|2,0,0]=4 15815 B18R2.14560 CC(C)(O)CCNc1ccc2cnccc2c1 34a_100000039641_100000702414 [0,2,0,0,0,0|2,0,0]=4 15816 B18R2.14560 CC(C)(O)CCNc1ccc2ncccc2c1 34a_100011198106_100000702414 [0,2,0,0,0,0|2,0,0]=4 15817 B18R2.14560 CC(C)(O)CCOc1ccc2ccccc2c1 34a_100000185828_100000702414 [0,2,0,0,0,0|0,0,0]=2 15818 B18R2.14560 CC(C)(O)CCOc1ccc2ccccc2c1 7a_100000185828_100000702414 [0,2,0,0,0,0|0,0,0]=2 15819 B18R2.14560 CC(C)(O)CCOc1ccc2cccnc2c1 34a_100011216045_100000702414 [0,2,0,0,0,0|1,0,0]=3 15820 B18R2.14560 CC(C)(O)CCOc1ccc2ccncc2c1 7a_100000752006_100000702414 [0,2,0,0,0,0|1,0,0]=3 15821 B18R2.14560 CC(C)(O)CCOc1ccc2cnccc2c1 34a_100000046372_100000702414 [0,2,0,0,0,0|1,0,0]=3 15822 B18R2.14560 CC(C)(O)CCOc1ccc2cnccc2c1 7a_100000046372_100000702414 [0,2,0,0,0,0|1,0,0]=3 15823 B18R2.14560 CC(C)(O)CCOc1ccc2ncccc2c1 34a_100011215586_100000702414 [0,2,0,0,0,0|1,0,0]=3 15824 B18R2.14560 CC(C)(O)CCOc1ccc2ncccc2c1 7a_100011215586_100000702414 [0,2,0,0,0,0|1,0,0]=3 15825 B18R2.14560 CC(C)(O)CCOc1ccc2nccnc2c1 34a_100000694412_100000702414 [0,2,0,0,0,0|2,0,0]=4 15826 B18R2.14560 CC(C)(O)CCOc1cnc2ccccc2c1 34a_100011934006_100000702414 [0,2,0,0,0,0|1,0,0]=3 15827 B18R2.14560 CC(C)(O)CCOc1cnc2ccccc2c1 7a_100011934006_100000702414 [0,2,0,0,0,0|1,0,0]=3 15828 B18R2.14560 CC(C)(O)CCSc1cc2ccccc2cn1 62a_100000702414_100000047361 [0,2,0,0,0,0|1,1,0]=4 15829 B18R2.14560 CC(C)(O)CCSc1cc2ccccc2cn1 62a_100009816522_100000702414 [0,2,0,0,0,0|1,1,0]=4 15830 B18R2.14560 CC(C)(O)CCSc1ccc2ccccc2c1 62a_100000702414_100000233703 [0,2,0,0,0,0|0,1,0]=3 15831 B18R2.14560 CC(C)(O)CCSc1ccc2ccccc2n1 62a_100000702414_100011291633 [0,2,0,0,0,0|1,1,0]=4 15832 B18R2.14560 CC(C)(O)CCSc1ccc2ccccc2n1 62a_100011291633_100000702414 [0,2,0,0,0,0|1,1,0]=4 15833 B18R2.14560 CC(C)(O)CCSc1ccc2cccnc2c1 62a_100000702414_100009816655 [0,2,0,0,0,0|1,1,0]=4 15834 B18R2.14560 CC(C)(O)CCSc1ccc2ccncc2c1 62a_100000686496_100000702414 [0,2,0,0,0,0|1,1,0]=4 15835 B18R2.14560 CC(C)(O)CCSc1ccc2ccncc2c1 62a_100000702414_100000686496 [0,2,0,0,0,0|1,1,0]=4 15836 B18R2.14560 CC(C)(O)CCSc1ccc2cnccc2c1 62a_100000702414_100009816743 [0,2,0,0,0,0|1,1,0]=4 15837 B18R2.14560 CC(C)(O)CCSc1ccc2cnccc2c1 62a_100009816743_100000702414 [0,2,0,0,0,0|1,1,0]=4 15838 B18R2.14560 CC(C)(O)CCSc1ccc2ncccc2c1 62a_100000702414_100011215947 [0,2,0,0,0,0|1,1,0]=4 15839 B18R2.14560 CC(C)(O)CCSc1ccc2ncccc2c1 62a_100011215947_100000702414 [0,2,0,0,0,0|1,1,0]=4 15840 B18R2.14560 CC(C)(O)CCSc1cnc2ccccc2c1 62a_100000702414_100000737414 [0,2,0,0,0,0|1,1,0]=4 15841 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2c1 207a_100000751335_100000211584 [0,2,0,0,0,0|2,0,0]=4 15842 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2c1 2230a_100000751335_100011216711 [0,2,0,0,0,0|2,0,0]=4 15843 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2c1 270004a_100000751335_100000211584 [0,2,0,0,0,0|2,0,0]=4 15844 B18R2.14560 CC(C)(O)CNCc1ccc2ccccc2c1 34a_100000739491_100000764493 [0,2,0,0,0,0|2,0,0]=4 15845 B18R2.14560 CC(C)(O)COCc1ccc2ccccc2c1 34a_100011215330_100000764493 [0,2,0,0,0,0|2,0,0]=4 15846 B18R2.14560 CC(C)(O)COCc1ccc2ccccc2c1 7a_100011215330_100000764493 [0,2,0,0,0,0|2,0,0]=4 15847 B18R2.14560 CC(C)(O)CSCc1ccc2ccccc2c1 62a_100000764493_100011216711 [0,2,0,0,0,0|2,0,0]=4 15848 B18R2.14560 CC(C)(O)CSCc1ccc2ccccc2c1 62a_100011216711_100000764493 [0,2,0,0,0,0|2,0,0]=4 15849 B18R2.14560 CC(F)(F)CNCc1ccc2ccccc2c1 207a_100000731000_100000211584 [0,2,0,0,0,0|2,0,0]=4 15850 B18R2.14560 CC(F)(F)CNCc1ccc2ccccc2c1 270004a_100000731000_100000211584 [0,2,0,0,0,0|2,0,0]=4 15851 B18R2.14560 CC(F)(F)COCc1ccc2ccccc2c1 34a_100000068830_100011216711 [0,2,0,0,0,0|2,0,0]=4 15852 B18R2.14560 CS(=O)(=O)CCNc1ccc2ccccc2c1 34a_100000211940_100000731031 [0,2,0,0,0,0|2,0,0]=4 15853 B18R2.14560 CS(=O)(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000230027 [0,2,0,0,0,0|2,0,0]=4 15854 B18R2.14560 CS(=O)(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100000731031 [0,2,0,0,0,0|1,0,0]=3 15855 B18R2.14560 CS(=O)(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000230027 [0,2,0,0,0,0|1,0,0]=3 15856 B18R2.14560 CS(=O)(=O)CCOc1ccc2cccnc2c1 34a_100011216045_100000731031 [0,2,0,0,0,0|2,0,0]=4 15857 B18R2.14560 CS(=O)(=O)CCOc1ccc2ccncc2c1 7a_100000752006_100000230027 [0,2,0,0,0,0|2,0,0]=4 15858 B18R2.14560 CS(=O)(=O)CCOc1ccc2cnccc2c1 34a_100000046372_100000731031 [0,2,0,0,0,0|2,0,0]=4 15859 B18R2.14560 CS(=O)(=O)CCOc1ccc2cnccc2c1 7a_100000046372_100000230027 [0,2,0,0,0,0|2,0,0]=4 15860 B18R2.14560 CS(=O)(=O)CCOc1ccc2ncccc2c1 34a_100011215586_100000731031 [0,2,0,0,0,0|2,0,0]=4 15861 B18R2.14560 CS(=O)(=O)CCOc1ccc2ncccc2c1 7a_100011215586_100000230027 [0,2,0,0,0,0|2,0,0]=4 15862 B18R2.14560 CS(=O)(=O)CCOc1cnc2ccccc2c1 34a_100011934006_100000731031 [0,2,0,0,0,0|2,0,0]=4 15863 B18R2.14560 CS(=O)(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000230027 [0,2,0,0,0,0|2,0,0]=4 15864 B18R2.14560 CS(=O)(=O)CCSc1ccc2ccccc2c1 62a_100000731031_100000233703 [0,2,0,0,0,0|1,1,0]=4 15865 B18R2.14560 C[N+](C)(C)CCNc1ccc2ccccc2c1 34a_100000211940_100000085578 [0,2,0,0,0,0|2,0,0]=4 15866 B18R2.14560 C[N+](C)(C)CCNc1ccc2ccccc2c1 7a_100000211940_100000085578 [0,2,0,0,0,0|2,0,0]=4 15867 B18R2.14560 C[N+](C)(C)CCOc1ccc2ccccc2c1 34a_100000185828_100000085578 [0,2,0,0,0,0|1,0,0]=3 15868 B18R2.14560 C[N+](C)(C)CCOc1ccc2ccccc2c1 7a_100000185828_100000085578 [0,2,0,0,0,0|1,0,0]=3 15869 B18R2.14560 C[N+](C)(C)CCOc1ccc2cccnc2c1 34a_100011216045_100000085578 [0,2,0,0,0,0|2,0,0]=4 15870 B18R2.14560 C[N+](C)(C)CCOc1ccc2ccncc2c1 7a_100000752006_100000085578 [0,2,0,0,0,0|2,0,0]=4 15871 B18R2.14560 C[N+](C)(C)CCOc1ccc2cnccc2c1 34a_100000046372_100000085578 [0,2,0,0,0,0|2,0,0]=4 15872 B18R2.14560 C[N+](C)(C)CCOc1ccc2cnccc2c1 7a_100000046372_100000085578 [0,2,0,0,0,0|2,0,0]=4 15873 B18R2.14560 C[N+](C)(C)CCOc1ccc2ncccc2c1 34a_100011215586_100000085578 [0,2,0,0,0,0|2,0,0]=4 15874 B18R2.14560 C[N+](C)(C)CCOc1ccc2ncccc2c1 7a_100011215586_100000085578 [0,2,0,0,0,0|2,0,0]=4 15875 B18R2.14560 C[N+](C)(C)CCOc1cnc2ccccc2c1 34a_100011934006_100000085578 [0,2,0,0,0,0|2,0,0]=4 15876 B18R2.14560 C[N+](C)(C)CCOc1cnc2ccccc2c1 7a_100011934006_100000085578 [0,2,0,0,0,0|2,0,0]=4 15877 B18R2.14560 C[N+](C)(C)CCSc1ccc2ccccc2c1 62a_100000085578_100000233703 [0,2,0,0,0,0|1,1,0]=4 15878 B18R2.14560 C[Si](C)(C)CCNc1ccc2ccccc2c1 34a_100000211940_200000733723 [0,2,0,0,0,0|1,1,0]=4 15879 B18R2.14560 C[Si](C)(C)CCNc1ccc2ccccc2c1 7a_100000211940_200000733723 [0,2,0,0,0,0|1,1,0]=4 15880 B18R2.14560 C[Si](C)(C)CCOc1ccc2ccccc2c1 34a_100000185828_200000733723 [0,2,0,0,0,0|0,1,0]=3 15881 B18R2.14560 C[Si](C)(C)CCOc1ccc2ccccc2c1 7a_100000185828_200000733723 [0,2,0,0,0,0|0,1,0]=3 15882 B18R2.14560 C[Si](C)(C)CCOc1ccc2cccnc2c1 34a_100011216045_200000733723 [0,2,0,0,0,0|1,1,0]=4 15883 B18R2.14560 C[Si](C)(C)CCOc1ccc2ccncc2c1 7a_100000752006_200000733723 [0,2,0,0,0,0|1,1,0]=4 15884 B18R2.14560 C[Si](C)(C)CCOc1ccc2cnccc2c1 34a_100000046372_200000733723 [0,2,0,0,0,0|1,1,0]=4 15885 B18R2.14560 C[Si](C)(C)CCOc1ccc2cnccc2c1 7a_100000046372_200000733723 [0,2,0,0,0,0|1,1,0]=4 15886 B18R2.14560 C[Si](C)(C)CCOc1ccc2ncccc2c1 34a_100011215586_200000733723 [0,2,0,0,0,0|1,1,0]=4 15887 B18R2.14560 C[Si](C)(C)CCOc1ccc2ncccc2c1 7a_100011215586_200000733723 [0,2,0,0,0,0|1,1,0]=4 15888 B18R2.14560 C[Si](C)(C)CCOc1cnc2ccccc2c1 34a_100011934006_200000733723 [0,2,0,0,0,0|1,1,0]=4 15889 B18R2.14560 C[Si](C)(C)CCOc1cnc2ccccc2c1 7a_100011934006_200000733723 [0,2,0,0,0,0|1,1,0]=4 15890 B18R2.14560 FC(F)(F)CCNc1ccc2ccccc2c1 34a_100000211940_100011219754 [0,2,0,0,0,0|2,0,0]=4 15891 B18R2.14560 FC(F)(F)CCNc1ccc2ccccc2c1 7a_100000211940_100011219754 [0,2,0,0,0,0|2,0,0]=4 15892 B18R2.14560 FC(F)(F)CCOc1ccc2ccccc2c1 34a_100000185828_100011219754 [0,2,0,0,0,0|1,0,0]=3 15893 B18R2.14560 FC(F)(F)CCOc1ccc2ccccc2c1 7a_100000185828_100011219754 [0,2,0,0,0,0|1,0,0]=3 15894 B18R2.14560 FC(F)(F)CCOc1ccc2cccnc2c1 34a_100011216045_100011219754 [0,2,0,0,0,0|2,0,0]=4 15895 B18R2.14560 FC(F)(F)CCOc1ccc2ccncc2c1 7a_100000752006_100011219754 [0,2,0,0,0,0|2,0,0]=4 15896 B18R2.14560 FC(F)(F)CCOc1ccc2cnccc2c1 34a_100000046372_100011219754 [0,2,0,0,0,0|2,0,0]=4 15897 B18R2.14560 FC(F)(F)CCOc1ccc2cnccc2c1 7a_100000046372_100011219754 [0,2,0,0,0,0|2,0,0]=4 15898 B18R2.14560 FC(F)(F)CCOc1ccc2ncccc2c1 34a_100011215586_100011219754 [0,2,0,0,0,0|2,0,0]=4 15899 B18R2.14560 FC(F)(F)CCOc1ccc2ncccc2c1 7a_100011215586_100011219754 [0,2,0,0,0,0|2,0,0]=4 15900 B18R2.14560 FC(F)(F)CCOc1cnc2ccccc2c1 34a_100011934006_100011219754 [0,2,0,0,0,0|2,0,0]=4 15901 B18R2.14560 FC(F)(F)CCOc1cnc2ccccc2c1 7a_100011934006_100011219754 [0,2,0,0,0,0|2,0,0]=4 15902 B18R2.14560 FC(F)(F)CCSc1ccc2ccccc2c1 62a_100011219754_100000233703 [0,2,0,0,0,0|1,1,0]=4 15903 B18R2.14560 O=S(=O)([O-])CCOc1ccc2ccccc2c1 34a_100000185828_100000762736 [0,2,0,0,0,0|2,0,0]=4 15904 B18R2.59535 C=C(C)CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000730704 [0,2,0,0,0,0|1,0,1]=4 15905 B18R2.59535 C=C(C)CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000730704 [0,2,0,0,0,0|1,0,1]=4 15906 B18R2.59535 C=C(C)CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000730704 [0,2,0,0,0,0|1,0,1]=4 15907 B18R2.59535 C=C(C)CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000730704 [0,2,0,0,0,0|1,0,1]=4 15908 B18R2.59535 C=C(C)CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000730704 [0,2,0,0,0,0|1,0,1]=4 15909 B18R2.59535 C=C(C)CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000730704 [0,2,0,0,0,0|1,0,1]=4 15910 B18R2.59535 C=C(C)CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000730704 [0,2,0,0,0,0|0,0,1]=3 15911 B18R2.59535 C=C(C)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000730704 [0,2,0,0,0,0|0,0,1]=3 15912 B18R2.59535 C=C(C)CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000730704 [0,2,0,0,0,0|1,0,1]=4 15913 B18R2.59535 C=C(C)CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000730704 [0,2,0,0,0,0|1,0,1]=4 15914 B18R2.59535 C=C(C)CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000730704 [0,2,0,0,0,0|1,0,1]=4 15915 B18R2.59535 C=C(C)CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000730704 [0,2,0,0,0,0|1,0,1]=4 15916 B18R2.59535 C=C(C)CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000730704 [0,2,0,0,0,0|1,0,1]=4 15917 B18R2.59535 C=C(C)CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000730704 [0,2,0,0,0,0|1,0,1]=4 15918 B18R2.59535 C=C(C)CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000730704 [0,2,0,0,0,0|1,0,1]=4 15919 B18R2.59535 C=C(C)CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000730704 [0,2,0,0,0,0|1,0,1]=4 15920 B18R2.59535 C=C(C)CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000730704 [0,2,0,0,0,0|1,0,1]=4 15921 B18R2.59535 C=C(C)CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000730704 [0,2,0,0,0,0|1,0,1]=4 15922 B18R2.59535 C=C(C)CCSc1ccc2c(cccc2c1)N 62a_100000730704_100010090037 [0,2,0,0,0,0|0,1,1]=4 15923 B18R2.59535 C=C(C)CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000730704 [0,2,0,0,0,0|0,1,1]=4 15924 B18R2.59535 C=C(C)CCSc1ccc2c(cccc2c1)O 62a_100000730704_100010202202 [0,2,0,0,0,0|0,1,1]=4 15925 B18R2.59535 CC(=CCOc1ccc2c(cccc2c1)N)C 34a_100000034668_100000761012 [0,2,0,0,0,0|0,0,2]=4 15926 B18R2.59535 CC(=CCOc1ccc2c(cccc2c1)N)C 7a_100000034668_100000761012 [0,2,0,0,0,0|0,0,2]=4 15927 B18R2.59535 CC(=O)CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000053229 [0,2,0,0,0,0|1,0,1]=4 15928 B18R2.59535 CC(=O)CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000053229 [0,2,0,0,0,0|1,0,1]=4 15929 B18R2.59535 CC(=O)CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000053229 [0,2,0,0,0,0|1,0,1]=4 15930 B18R2.59535 CC(=O)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000053229 [0,2,0,0,0,0|0,0,1]=3 15931 B18R2.59535 CC(=O)CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000053229 [0,2,0,0,0,0|1,0,1]=4 15932 B18R2.59535 CC(=O)CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000053229 [0,2,0,0,0,0|1,0,1]=4 15933 B18R2.59535 CC(=O)CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000053229 [0,2,0,0,0,0|1,0,1]=4 15934 B18R2.59535 CC(=O)CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000053229 [0,2,0,0,0,0|1,0,1]=4 15935 B18R2.59535 CC(=O)CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000053229 [0,2,0,0,0,0|1,0,1]=4 15936 B18R2.59535 CC(=O)CCSc1ccc2c(cccc2c1)N 62a_100000053229_100010090037 [0,2,0,0,0,0|0,1,1]=4 15937 B18R2.59535 CC(=O)CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000053229 [0,2,0,0,0,0|0,1,1]=4 15938 B18R2.59535 CC(=O)CCSc1ccc2c(cccc2c1)O 62a_100000053229_100010202202 [0,2,0,0,0,0|0,1,1]=4 15939 B18R2.59535 CC(=O)OCOc1ccc2c(cccc2c1)N 34a_100000034668_100009813279 [0,2,0,0,0,0|1,0,1]=4 15940 B18R2.59535 CC(C)CC=Cc1ccc2c(cccc2c1)N 271570a_100016259101_100010090037 [0,2,0,0,0,0|1,0,1]=4 15941 B18R2.59535 CC(C)CC=Cc1ccc2c(cccc2c1)O 271570a_100016259101_100010202202 [0,2,0,0,0,0|1,0,1]=4 15942 B18R2.59535 CC(C)CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210312 [0,2,0,0,0,0|1,0,0]=3 15943 B18R2.59535 CC(C)CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210626 [0,2,0,0,0,0|1,0,0]=3 15944 B18R2.59535 CC(C)CCNc1ccc2c(ccnc2c1)Cl 27a_100000210545_100009996786 [0,2,0,0,0,0|2,0,0]=4 15945 B18R2.59535 CC(C)CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210312 [0,2,0,0,0,0|1,0,0]=3 15946 B18R2.59535 CC(C)CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210626 [0,2,0,0,0,0|1,0,0]=3 15947 B18R2.59535 CC(C)CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210312 [0,2,0,0,0,0|1,0,0]=3 15948 B18R2.59535 CC(C)CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210626 [0,2,0,0,0,0|1,0,0]=3 15949 B18R2.59535 CC(C)CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210312 [0,2,0,0,0,0|0,0,0]=2 15950 B18R2.59535 CC(C)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210626 [0,2,0,0,0,0|0,0,0]=2 15951 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210312 [0,2,0,0,0,0|1,0,0]=3 15952 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210626 [0,2,0,0,0,0|1,0,0]=3 15953 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210312 [0,2,0,0,0,0|1,0,0]=3 15954 B18R2.59535 CC(C)CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210626 [0,2,0,0,0,0|1,0,0]=3 15955 B18R2.59535 CC(C)CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210312 [0,2,0,0,0,0|1,0,0]=3 15956 B18R2.59535 CC(C)CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210626 [0,2,0,0,0,0|1,0,0]=3 15957 B18R2.59535 CC(C)CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210312 [0,2,0,0,0,0|1,0,0]=3 15958 B18R2.59535 CC(C)CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210626 [0,2,0,0,0,0|1,0,0]=3 15959 B18R2.59535 CC(C)CCSc1ccc2c(=O)ccoc2c1 62a_100000210312_100010062221 [0,2,0,0,0,0|1,1,0]=4 15960 B18R2.59535 CC(C)CCSc1ccc2c(cccc2c1)N 62a_100000210312_100010090037 [0,2,0,0,0,0|0,1,0]=3 15961 B18R2.59535 CC(C)CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210312 [0,2,0,0,0,0|0,1,0]=3 15962 B18R2.59535 CC(C)CCSc1ccc2c(cccc2c1)O 62a_100000210312_100010202202 [0,2,0,0,0,0|0,1,0]=3 15963 B18R2.59535 CC(C)CCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000210312 [0,2,0,0,0,0|1,1,0]=4 15964 B18R2.59535 CC(C)CCSc1ccc2c(ccnc2c1)O 62a_100000210312_100000756855 [0,2,0,0,0,0|1,1,0]=4 15965 B18R2.59535 CC(C)CCSc1ccc2c(nccc2c1)N 62a_100000210312_100000732483 [0,2,0,0,0,0|1,1,0]=4 15966 B18R2.59535 CC(C)CCSc1ccc2c(nccc2c1)N 62a_100000732483_100000210312 [0,2,0,0,0,0|1,1,0]=4 15967 B18R2.59535 CC(C)CCSc1ccc2c(nccc2c1)O 62a_100000210312_100000760485 [0,2,0,0,0,0|1,1,0]=4 15968 B18R2.59535 CC(C)CCSc1cnc2c(cccc2c1)F 62a_100000049890_100000210312 [0,2,0,0,0,0|1,1,0]=4 15969 B18R2.59535 CC(C)CCSc1cnc2c(cccc2c1)F 62a_100000210312_100000049890 [0,2,0,0,0,0|1,1,0]=4 15970 B18R2.59535 CC(C)CCSc1cnc2c(cccc2c1)N 62a_100000210312_100000702407 [0,2,0,0,0,0|1,1,0]=4 15971 B18R2.59535 CC(C)OCNc1ccc2c(cccc2c1)O 34a_100000035793_100000709892 [0,2,0,0,0,0|2,0,0]=4 15972 B18R2.59535 CC(C)OCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000709892 [0,2,0,0,0,0|2,0,0]=4 15973 B18R2.59535 CC(C)OCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000709892 [0,2,0,0,0,0|2,0,0]=4 15974 B18R2.59535 CC(C)OCOc1ccc2c(cccc2c1)N 34a_100000034668_100000709892 [0,2,0,0,0,0|1,0,0]=3 15975 B18R2.59535 CC(C)OCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000709892 [0,2,0,0,0,0|2,0,0]=4 15976 B18R2.59535 CC(C)OCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000709892 [0,2,0,0,0,0|2,0,0]=4 15977 B18R2.59535 CC(C)OCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000709892 [0,2,0,0,0,0|2,0,0]=4 15978 B18R2.59535 CC(C)OCOc1cnc2c(cccc2c1)F 34a_100012184956_100000709892 [0,2,0,0,0,0|2,0,0]=4 15979 B18R2.59535 CC(C)OCSc1ccc2c(cccc2c1)N 62a_100000709892_100010090037 [0,2,0,0,0,0|1,1,0]=4 15980 B18R2.59535 CC(C)OCSc1ccc2c(cccc2c1)N 62a_100010090037_100000709892 [0,2,0,0,0,0|1,1,0]=4 15981 B18R2.59535 CC(C)OCSc1ccc2c(cccc2c1)O 62a_100000709892_100010202202 [0,2,0,0,0,0|1,1,0]=4 15982 B18R2.59535 CC(O)CCNc1ccc2c(cccc2c1)O 34a_100000035793_100012276601 [0,2,0,0,0,0|1,0,0]=3 15983 B18R2.59535 CC(O)CCNc1ccc2c(cccc2c1)O 7a_100000035793_100012276601 [0,2,0,0,0,0|1,0,0]=3 15984 B18R2.59535 CC(O)CCNc1ccc2c(ccnc2c1)Cl 27a_200000755665_100009996786 [0,2,0,0,0,0|2,0,0]=4 15985 B18R2.59535 CC(O)CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100012276601 [0,2,0,0,0,0|1,0,0]=3 15986 B18R2.59535 CC(O)CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100012276601 [0,2,0,0,0,0|1,0,0]=3 15987 B18R2.59535 CC(O)CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100012276601 [0,2,0,0,0,0|1,0,0]=3 15988 B18R2.59535 CC(O)CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100012276601 [0,2,0,0,0,0|1,0,0]=3 15989 B18R2.59535 CC(O)CCOc1ccc2c(cccc2c1)N 34a_100000034668_100012276601 [0,2,0,0,0,0|0,0,0]=2 15990 B18R2.59535 CC(O)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100012276601 [0,2,0,0,0,0|0,0,0]=2 15991 B18R2.59535 CC(O)CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100012276601 [0,2,0,0,0,0|1,0,0]=3 15992 B18R2.59535 CC(O)CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100012276601 [0,2,0,0,0,0|1,0,0]=3 15993 B18R2.59535 CC(O)CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100012276601 [0,2,0,0,0,0|1,0,0]=3 15994 B18R2.59535 CC(O)CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100012276601 [0,2,0,0,0,0|1,0,0]=3 15995 B18R2.59535 CC(O)CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100012276601 [0,2,0,0,0,0|1,0,0]=3 15996 B18R2.59535 CC(O)CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100012276601 [0,2,0,0,0,0|1,0,0]=3 15997 B18R2.59535 CC(O)CCOc1cnc2c(cccc2c1)F 34a_100012184956_100012276601 [0,2,0,0,0,0|1,0,0]=3 15998 B18R2.59535 CC(O)CCOc1cnc2c(cccc2c1)F 7a_100012184956_100012276601 [0,2,0,0,0,0|1,0,0]=3 15999 B18R2.59535 CC(O)CCSc1ccc2c(=O)ccoc2c1 62a_100012276601_100010062221 [0,2,0,0,0,0|1,1,0]=4 16000 B18R2.59535 CC(O)CCSc1ccc2c(cccc2c1)N 62a_100010090037_100012276601 [0,2,0,0,0,0|0,1,0]=3 16001 B18R2.59535 CC(O)CCSc1ccc2c(cccc2c1)N 62a_100012276601_100010090037 [0,2,0,0,0,0|0,1,0]=3 16002 B18R2.59535 CC(O)CCSc1ccc2c(cccc2c1)O 62a_100012276601_100010202202 [0,2,0,0,0,0|0,1,0]=3 16003 B18R2.59535 CC(O)CCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100012276601 [0,2,0,0,0,0|1,1,0]=4 16004 B18R2.59535 CC(O)CCSc1ccc2c(ccnc2c1)Cl 62a_100012276601_100009996786 [0,2,0,0,0,0|1,1,0]=4 16005 B18R2.59535 CC(O)CCSc1ccc2c(ccnc2c1)N 62a_200009816820_100012276601 [0,2,0,0,0,0|1,1,0]=4 16006 B18R2.59535 CC(O)CCSc1ccc2c(ccnc2c1)O 62a_100012276601_100000756855 [0,2,0,0,0,0|1,1,0]=4 16007 B18R2.59535 CC(O)CCSc1ccc2c(nccc2c1)N 62a_100000732483_100012276601 [0,2,0,0,0,0|1,1,0]=4 16008 B18R2.59535 CC(O)CCSc1ccc2c(nccc2c1)N 62a_100012276601_100000732483 [0,2,0,0,0,0|1,1,0]=4 16009 B18R2.59535 CC(O)CCSc1ccc2c(nccc2c1)O 62a_100012276601_100000760485 [0,2,0,0,0,0|1,1,0]=4 16010 B18R2.59535 CC(O)CCSc1cnc2c(cccc2c1)Br 62a_100010204298_100012276601 [0,2,0,0,0,0|1,1,0]=4 16011 B18R2.59535 CC(O)CCSc1cnc2c(cccc2c1)Br 62a_100012276601_100010204298 [0,2,0,0,0,0|1,1,0]=4 16012 B18R2.59535 CC(O)CCSc1cnc2c(cccc2c1)Cl 62a_100012276601_100000759377 [0,2,0,0,0,0|1,1,0]=4 16013 B18R2.59535 CC(O)CCSc1cnc2c(cccc2c1)F 62a_100000049890_100012276601 [0,2,0,0,0,0|1,1,0]=4 16014 B18R2.59535 CC(O)CCSc1cnc2c(cccc2c1)F 62a_100012276601_100000049890 [0,2,0,0,0,0|1,1,0]=4 16015 B18R2.59535 CC(O)CCSc1cnc2c(cccc2c1)N 62a_100012276601_100000702407 [0,2,0,0,0,0|1,1,0]=4 16016 B18R2.59535 CN(C)CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000755713 [0,2,0,0,0,0|2,0,0]=4 16017 B18R2.59535 CN(C)CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000755713 [0,2,0,0,0,0|2,0,0]=4 16018 B18R2.59535 CN(C)CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000755713 [0,2,0,0,0,0|2,0,0]=4 16019 B18R2.59535 CN(C)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000755713 [0,2,0,0,0,0|1,0,0]=3 16020 B18R2.59535 CN(C)CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000755713 [0,2,0,0,0,0|2,0,0]=4 16021 B18R2.59535 CN(C)CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000755713 [0,2,0,0,0,0|2,0,0]=4 16022 B18R2.59535 CN(C)CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000755713 [0,2,0,0,0,0|2,0,0]=4 16023 B18R2.59535 CN(C)CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000755713 [0,2,0,0,0,0|2,0,0]=4 16024 B18R2.59535 CN(C)CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000755713 [0,2,0,0,0,0|1,1,0]=4 16025 B18R2.59535 Cc1cccc2c1ncc(c2)SCCC(C)C 62a_100000210312_100009829671 [0,2,0,0,0,0|1,1,0]=4 16026 B18R2.59535 Cc1cccc2c1ncc(c2)SCCC(C)O 62a_100012276601_100009829671 [0,2,0,0,0,0|1,1,0]=4 16027 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)C 34a_200009854145_100000210312 [0,2,0,0,0,0|1,0,0]=3 16028 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)C 7a_200009854145_100000210626 [0,2,0,0,0,0|1,0,0]=3 16029 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)O 34a_200009854145_100012276601 [0,2,0,0,0,0|1,0,0]=3 16030 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCC(C)O 7a_200009854145_100012276601 [0,2,0,0,0,0|1,0,0]=3 16031 B18R2.59535 Cc1ccnc2c1ccc(c2)OCCN(C)C 7a_200009854145_100000755713 [0,2,0,0,0,0|2,0,0]=4 16032 B18R2.59535 Cc1ccnc2c1ccc(c2)OCOC(C)C 34a_200009854145_100000709892 [0,2,0,0,0,0|2,0,0]=4 16033 B18R2.59535 Cc1ccnc2c1ccc(c2)SCCC(C)C 62a_100000210312_100010132309 [0,2,0,0,0,0|1,1,0]=4 16034 B18R2.59535 Cc1ccnc2c1ccc(c2)SCCC(C)C 62a_100010132309_100000210312 [0,2,0,0,0,0|1,1,0]=4 16035 B18R2.59535 Cc1ccnc2c1ccc(c2)SCCC(C)O 62a_100010132309_100012276601 [0,2,0,0,0,0|1,1,0]=4 16036 B18R2.59535 Cc1ccnc2c1ccc(c2)SCCC(C)O 62a_100012276601_100010132309 [0,2,0,0,0,0|1,1,0]=4 16037 B18R2.59535 NC(=O)CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000731001 [0,2,0,0,0,0|1,0,1]=4 16038 B18R2.59535 NC(=O)CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000744528 [0,2,0,0,0,0|1,0,1]=4 16039 B18R2.63530 C=C(C)CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000730704 [0,2,0,0,0,0|1,0,1]=4 16040 B18R2.63530 C=C(C)CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000730704 [0,2,0,0,0,0|1,0,1]=4 16041 B18R2.63530 C=C(C)CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000730704 [0,2,0,0,0,0|0,0,1]=3 16042 B18R2.63530 C=C(C)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000730704 [0,2,0,0,0,0|0,0,1]=3 16043 B18R2.63530 C=C(C)CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000730704 [0,2,0,0,0,0|1,0,1]=4 16044 B18R2.63530 C=C(C)CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000730704 [0,2,0,0,0,0|1,0,1]=4 16045 B18R2.63530 C=C(C)CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000730704 [0,2,0,0,0,0|1,0,1]=4 16046 B18R2.63530 C=C(C)CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000730704 [0,2,0,0,0,0|1,0,1]=4 16047 B18R2.63530 C=C(C)CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000730704 [0,2,0,0,0,0|1,0,1]=4 16048 B18R2.63530 C=C(C)CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000730704 [0,2,0,0,0,0|1,0,1]=4 16049 B18R2.63530 C=C(C)CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000730704 [0,2,0,0,0,0|1,0,1]=4 16050 B18R2.63530 C=C(C)CCSc1cc(c2ccccc2c1)N 62a_100000730704_100010171453 [0,2,0,0,0,0|0,1,1]=4 16051 B18R2.63530 C=C(C)CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000730704 [0,2,0,0,0,0|0,1,1]=4 16052 B18R2.63530 C=C(C)CCSc1cc(c2ccccc2c1)O 62a_100000730704_100010089979 [0,2,0,0,0,0|0,1,1]=4 16053 B18R2.63530 CC(=CCOc1cc(c2ccccc2c1)Br)C 34a_100010001680_100000761012 [0,2,0,0,0,0|0,0,2]=4 16054 B18R2.63530 CC(=CCOc1cc(c2ccccc2c1)Br)C 7a_100010001680_100000761012 [0,2,0,0,0,0|0,0,2]=4 16055 B18R2.63530 CC(=O)CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000053229 [0,2,0,0,0,0|1,0,1]=4 16056 B18R2.63530 CC(=O)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000053229 [0,2,0,0,0,0|0,0,1]=3 16057 B18R2.63530 CC(=O)CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000053229 [0,2,0,0,0,0|1,0,1]=4 16058 B18R2.63530 CC(=O)CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000053229 [0,2,0,0,0,0|1,0,1]=4 16059 B18R2.63530 CC(=O)CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000053229 [0,2,0,0,0,0|1,0,1]=4 16060 B18R2.63530 CC(=O)CCSc1cc(c2ccccc2c1)N 62a_100000053229_100010171453 [0,2,0,0,0,0|0,1,1]=4 16061 B18R2.63530 CC(=O)CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000053229 [0,2,0,0,0,0|0,1,1]=4 16062 B18R2.63530 CC(=O)CCSc1cc(c2ccccc2c1)O 62a_100000053229_100010089979 [0,2,0,0,0,0|0,1,1]=4 16063 B18R2.63530 CC(=O)OCOc1cc(c2ccccc2c1)Br 34a_100010001680_100009813279 [0,2,0,0,0,0|1,0,1]=4 16064 B18R2.63530 CC(C)CC=Cc1cc(c2ccccc2c1)N 271570a_100016259101_100010171453 [0,2,0,0,0,0|1,0,1]=4 16065 B18R2.63530 CC(C)CC=Cc1cc(c2ccccc2c1)O 271570a_100016259101_100010089979 [0,2,0,0,0,0|1,0,1]=4 16066 B18R2.63530 CC(C)CCNc1cc(c2cnccc2c1)F 27a_100000210545_100011068762 [0,2,0,0,0,0|2,0,0]=4 16067 B18R2.63530 CC(C)CCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210312 [0,2,0,0,0,0|2,0,0]=4 16068 B18R2.63530 CC(C)CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210312 [0,2,0,0,0,0|2,0,0]=4 16069 B18R2.63530 CC(C)CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210312 [0,2,0,0,0,0|1,0,0]=3 16070 B18R2.63530 CC(C)CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210626 [0,2,0,0,0,0|1,0,0]=3 16071 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210312 [0,2,0,0,0,0|1,0,0]=3 16072 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210626 [0,2,0,0,0,0|1,0,0]=3 16073 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210312 [0,2,0,0,0,0|1,0,0]=3 16074 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210626 [0,2,0,0,0,0|1,0,0]=3 16075 B18R2.63530 CC(C)CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210312 [0,2,0,0,0,0|1,0,0]=3 16076 B18R2.63530 CC(C)CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210312_100000090176 [0,2,0,0,0,0|1,1,0]=4 16077 B18R2.63530 CC(C)CCSc1cc(c2ccccc2c1)N 62a_100000210312_100010171453 [0,2,0,0,0,0|0,1,0]=3 16078 B18R2.63530 CC(C)CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210312 [0,2,0,0,0,0|0,1,0]=3 16079 B18R2.63530 CC(C)CCSc1cc(c2ccccc2c1)O 62a_100000210312_100010089979 [0,2,0,0,0,0|0,1,0]=3 16080 B18R2.63530 CC(C)CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210312 [0,2,0,0,0,0|1,1,0]=4 16081 B18R2.63530 CC(C)CCSc1cc(c2cccnc2c1)N 62a_100000210312_200010263263 [0,2,0,0,0,0|1,1,0]=4 16082 B18R2.63530 CC(C)CCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210312 [0,2,0,0,0,0|1,1,0]=4 16083 B18R2.63530 CC(C)CCSc1cc(c2cnccc2c1)F 62a_100000210312_100011068762 [0,2,0,0,0,0|1,1,0]=4 16084 B18R2.63530 CC(C)CCSc1cc(c2cnccc2c1)F 62a_100011068762_100000210312 [0,2,0,0,0,0|1,1,0]=4 16085 B18R2.63530 CC(C)CCSc1cc(c2ncccc2c1)F 62a_100000210312_100010234705 [0,2,0,0,0,0|1,1,0]=4 16086 B18R2.63530 CC(C)CCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210312 [0,2,0,0,0,0|1,1,0]=4 16087 B18R2.63530 CC(C)CCSc1cc(c2ncccc2c1)N 62a_100000210312_100009814519 [0,2,0,0,0,0|1,1,0]=4 16088 B18R2.63530 CC(C)CCSc1cc(c2ncccc2c1)O 62a_100000210312_100010248853 [0,2,0,0,0,0|1,1,0]=4 16089 B18R2.63530 CC(C)CCSc1cc2ccccc2c(=O)[nH]1 62a_100000210312_200015811170 [0,2,0,0,0,0|1,1,0]=4 16090 B18R2.63530 CC(C)CCSc1cc2ccccc2c(n1)N 62a_100000210312_100009957331 [0,2,0,0,0,0|1,1,0]=4 16091 B18R2.63530 CC(C)CCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210312 [0,2,0,0,0,0|1,1,0]=4 16092 B18R2.63530 CC(C)CNCc1cc(c2ccccc2c1)Br 26a_100000210953_100010001680 [0,2,0,0,0,0|2,0,0]=4 16093 B18R2.63530 CC(C)OCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000709892 [0,2,0,0,0,0|2,0,0]=4 16094 B18R2.63530 CC(C)OCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000709892 [0,2,0,0,0,0|1,0,0]=3 16095 B18R2.63530 CC(C)OCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000709892 [0,2,0,0,0,0|2,0,0]=4 16096 B18R2.63530 CC(C)OCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000709892 [0,2,0,0,0,0|2,0,0]=4 16097 B18R2.63530 CC(C)OCOc1cc(c2ncccc2c1)F 34a_100009888031_100000709892 [0,2,0,0,0,0|2,0,0]=4 16098 B18R2.63530 CC(C)OCOc1cc(c2ncccc2c1)N 34a_100000083691_100000709892 [0,2,0,0,0,0|2,0,0]=4 16099 B18R2.63530 CC(C)OCSc1cc(c2ccccc2c1)N 62a_100000709892_100010171453 [0,2,0,0,0,0|1,1,0]=4 16100 B18R2.63530 CC(C)OCSc1cc(c2ccccc2c1)N 62a_100010171453_100000709892 [0,2,0,0,0,0|1,1,0]=4 16101 B18R2.63530 CC(C)OCSc1cc(c2ccccc2c1)O 62a_100000709892_100010089979 [0,2,0,0,0,0|1,1,0]=4 16102 B18R2.63530 CC(O)CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100012276601 [0,2,0,0,0,0|1,0,0]=3 16103 B18R2.63530 CC(O)CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100012276601 [0,2,0,0,0,0|1,0,0]=3 16104 B18R2.63530 CC(O)CCNc1cc(c2cnccc2c1)F 27a_200000755665_100011068762 [0,2,0,0,0,0|2,0,0]=4 16105 B18R2.63530 CC(O)CCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100012276601 [0,2,0,0,0,0|2,0,0]=4 16106 B18R2.63530 CC(O)CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100012276601 [0,2,0,0,0,0|2,0,0]=4 16107 B18R2.63530 CC(O)CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100012276601 [0,2,0,0,0,0|0,0,0]=2 16108 B18R2.63530 CC(O)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100012276601 [0,2,0,0,0,0|0,0,0]=2 16109 B18R2.63530 CC(O)CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100012276601 [0,2,0,0,0,0|1,0,0]=3 16110 B18R2.63530 CC(O)CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100012276601 [0,2,0,0,0,0|1,0,0]=3 16111 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100012276601 [0,2,0,0,0,0|1,0,0]=3 16112 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100012276601 [0,2,0,0,0,0|1,0,0]=3 16113 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)F 34a_100009888031_100012276601 [0,2,0,0,0,0|1,0,0]=3 16114 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)F 7a_100009888031_100012276601 [0,2,0,0,0,0|1,0,0]=3 16115 B18R2.63530 CC(O)CCOc1cc(c2ncccc2c1)N 34a_100000083691_100012276601 [0,2,0,0,0,0|1,0,0]=3 16116 B18R2.63530 CC(O)CCSc1cc(=O)c2ccccc2[nH]1 62a_100012276601_100000090176 [0,2,0,0,0,0|1,1,0]=4 16117 B18R2.63530 CC(O)CCSc1cc(c2ccccc2c1)N 62a_100010171453_100012276601 [0,2,0,0,0,0|0,1,0]=3 16118 B18R2.63530 CC(O)CCSc1cc(c2ccccc2c1)N 62a_100012276601_100010171453 [0,2,0,0,0,0|0,1,0]=3 16119 B18R2.63530 CC(O)CCSc1cc(c2ccccc2c1)O 62a_100012276601_100010089979 [0,2,0,0,0,0|0,1,0]=3 16120 B18R2.63530 CC(O)CCSc1cc(c2ccccc2n1)N 62a_100010197925_100012276601 [0,2,0,0,0,0|1,1,0]=4 16121 B18R2.63530 CC(O)CCSc1cc(c2cccnc2c1)N 62a_100012276601_200010263263 [0,2,0,0,0,0|1,1,0]=4 16122 B18R2.63530 CC(O)CCSc1cc(c2cccnc2c1)N 62a_200010263263_100012276601 [0,2,0,0,0,0|1,1,0]=4 16123 B18R2.63530 CC(O)CCSc1cc(c2cnccc2c1)F 62a_100011068762_100012276601 [0,2,0,0,0,0|1,1,0]=4 16124 B18R2.63530 CC(O)CCSc1cc(c2cnccc2c1)F 62a_100012276601_100011068762 [0,2,0,0,0,0|1,1,0]=4 16125 B18R2.63530 CC(O)CCSc1cc(c2ncccc2c1)Cl 62a_100012276601_200010369337 [0,2,0,0,0,0|1,1,0]=4 16126 B18R2.63530 CC(O)CCSc1cc(c2ncccc2c1)F 62a_100010234705_100012276601 [0,2,0,0,0,0|1,1,0]=4 16127 B18R2.63530 CC(O)CCSc1cc(c2ncccc2c1)F 62a_100012276601_100010234705 [0,2,0,0,0,0|1,1,0]=4 16128 B18R2.63530 CC(O)CCSc1cc(c2ncccc2c1)N 62a_100012276601_100009814519 [0,2,0,0,0,0|1,1,0]=4 16129 B18R2.63530 CC(O)CCSc1cc(c2ncccc2c1)O 62a_100012276601_100010248853 [0,2,0,0,0,0|1,1,0]=4 16130 B18R2.63530 CC(O)CCSc1cc2ccccc2c(=O)[nH]1 62a_100012276601_200015811170 [0,2,0,0,0,0|1,1,0]=4 16131 B18R2.63530 CC(O)CCSc1cc2ccccc2c(n1)N 62a_100009957331_100012276601 [0,2,0,0,0,0|1,1,0]=4 16132 B18R2.63530 CC(O)CCSc1cc2ccccc2c(n1)N 62a_100012276601_100009957331 [0,2,0,0,0,0|1,1,0]=4 16133 B18R2.63530 CN(C)CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000755713 [0,2,0,0,0,0|2,0,0]=4 16134 B18R2.63530 CN(C)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000755713 [0,2,0,0,0,0|1,0,0]=3 16135 B18R2.63530 CN(C)CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000755713 [0,2,0,0,0,0|2,0,0]=4 16136 B18R2.63530 CN(C)CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000755713 [0,2,0,0,0,0|2,0,0]=4 16137 B18R2.63530 CN(C)CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000755713 [0,2,0,0,0,0|2,0,0]=4 16138 B18R2.63530 CN(C)CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000755713 [0,2,0,0,0,0|1,1,0]=4 16139 B18R2.63530 Cc1cc(cc2c1nccc2)SCCC(C)C 62a_100000210312_100010130319 [0,2,0,0,0,0|1,1,0]=4 16140 B18R2.63530 Cc1cc(cc2c1nccc2)SCCC(C)O 62a_100012276601_100010130319 [0,2,0,0,0,0|1,1,0]=4 16141 B18R2.63530 Cc1cc(nc2c1cccc2)NCCC(C)C 27a_100000210545_100000184993 [0,2,0,0,0,0|2,0,0]=4 16142 B18R2.63530 Cc1cc(nc2c1cccc2)NCCC(C)O 27a_200000755665_100000184993 [0,2,0,0,0,0|2,0,0]=4 16143 B18R2.63530 Cc1cc(nc2c1cccc2)SCCC(C)C 62a_100000210312_100000184993 [0,2,0,0,0,0|1,1,0]=4 16144 B18R2.63530 Cc1cc(nc2c1cccc2)SCCC(C)C 62a_100012354972_100000210312 [0,2,0,0,0,0|1,1,0]=4 16145 B18R2.63530 Cc1cc(nc2c1cccc2)SCCC(C)O 62a_100012276601_100000184993 [0,2,0,0,0,0|1,1,0]=4 16146 B18R2.63530 Cc1cc(nc2c1cccc2)SCCC(C)O 62a_100012354972_100012276601 [0,2,0,0,0,0|1,1,0]=4 16147 B18R2.63530 NC(=O)CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000731001 [0,2,0,0,0,0|1,0,1]=4 16148 B18R2.63530 NC(=O)CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000744528 [0,2,0,0,0,0|1,0,1]=4 16149 B18R2.273536 C=C(C)CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000730704 [0,2,0,0,0,0|1,0,1]=4 16150 B18R2.273536 C=C(C)CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000730704 [0,2,0,0,0,0|1,0,1]=4 16151 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000730704 [0,2,0,0,0,0|0,0,1]=3 16152 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000730704 [0,2,0,0,0,0|0,0,1]=3 16153 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000730704 [0,2,0,0,0,0|0,0,1]=3 16154 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000730704 [0,2,0,0,0,0|0,0,1]=3 16155 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000730704 [0,2,0,0,0,0|0,0,1]=3 16156 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000730704 [0,2,0,0,0,0|0,0,1]=3 16157 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000730704 [0,2,0,0,0,0|0,0,1]=3 16158 B18R2.273536 C=C(C)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000730704 [0,2,0,0,0,0|0,0,1]=3 16159 B18R2.273536 C=C(C)CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000730704 [0,2,0,0,0,0|1,0,1]=4 16160 B18R2.273536 C=C(C)CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000730704 [0,2,0,0,0,0|1,0,1]=4 16161 B18R2.273536 C=C(C)CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000730704 [0,2,0,0,0,0|1,0,1]=4 16162 B18R2.273536 C=C(C)CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000730704 [0,2,0,0,0,0|1,0,1]=4 16163 B18R2.273536 C=C(C)CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000730704 [0,2,0,0,0,0|1,0,1]=4 16164 B18R2.273536 C=C(C)CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000730704 [0,2,0,0,0,0|1,0,1]=4 16165 B18R2.273536 C=C(C)CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000730704 [0,2,0,0,0,0|1,0,1]=4 16166 B18R2.273536 C=C(C)CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000730704 [0,2,0,0,0,0|1,0,1]=4 16167 B18R2.273536 C=C(C)CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000730704 [0,2,0,0,0,0|1,0,1]=4 16168 B18R2.273536 C=C(C)CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000730704 [0,2,0,0,0,0|1,0,1]=4 16169 B18R2.273536 C=C(C)CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000730704 [0,2,0,0,0,0|0,1,1]=4 16170 B18R2.273536 C=C(C)CCSc1ccc2cc(ccc2c1)N 62a_100000730704_100000185457 [0,2,0,0,0,0|0,1,1]=4 16171 B18R2.273536 C=C(C)CCSc1ccc2cc(ccc2c1)O 62a_100000730704_100000185455 [0,2,0,0,0,0|0,1,1]=4 16172 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)Br)C 34a_100000185455_100000761012 [0,2,0,0,0,0|0,0,2]=4 16173 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)Br)C 7a_100000185455_100000761012 [0,2,0,0,0,0|0,0,2]=4 16174 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)C)C 34a_100000074090_100000761012 [0,2,0,0,0,0|0,0,2]=4 16175 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)C)C 7a_100000074090_100000761012 [0,2,0,0,0,0|0,0,2]=4 16176 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)Cl)C 34a_100000074905_100000761012 [0,2,0,0,0,0|0,0,2]=4 16177 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)Cl)C 7a_100000074905_100000761012 [0,2,0,0,0,0|0,0,2]=4 16178 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)F)C 34a_100009847029_100000761012 [0,2,0,0,0,0|0,0,2]=4 16179 B18R2.273536 CC(=CCOc1ccc2cc(ccc2c1)F)C 7a_100009847029_100000761012 [0,2,0,0,0,0|0,0,2]=4 16180 B18R2.273536 CC(=O)CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000053229 [0,2,0,0,0,0|1,0,1]=4 16181 B18R2.273536 CC(=O)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000053229 [0,2,0,0,0,0|0,0,1]=3 16182 B18R2.273536 CC(=O)CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000053229 [0,2,0,0,0,0|0,0,1]=3 16183 B18R2.273536 CC(=O)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000053229 [0,2,0,0,0,0|0,0,1]=3 16184 B18R2.273536 CC(=O)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000053229 [0,2,0,0,0,0|0,0,1]=3 16185 B18R2.273536 CC(=O)CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000053229 [0,2,0,0,0,0|1,0,1]=4 16186 B18R2.273536 CC(=O)CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000053229 [0,2,0,0,0,0|1,0,1]=4 16187 B18R2.273536 CC(=O)CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000053229 [0,2,0,0,0,0|1,0,1]=4 16188 B18R2.273536 CC(=O)CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000053229 [0,2,0,0,0,0|1,0,1]=4 16189 B18R2.273536 CC(=O)CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000053229 [0,2,0,0,0,0|1,0,1]=4 16190 B18R2.273536 CC(=O)CCSc1ccc2cc(ccc2c1)Br 62a_100000053229_100012344972 [0,2,0,0,0,0|0,1,1]=4 16191 B18R2.273536 CC(=O)CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000053229 [0,2,0,0,0,0|0,1,1]=4 16192 B18R2.273536 CC(=O)CCSc1ccc2cc(ccc2c1)F 62a_100000053229_100009817052 [0,2,0,0,0,0|0,1,1]=4 16193 B18R2.273536 CC(=O)CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000053229 [0,2,0,0,0,0|0,1,1]=4 16194 B18R2.273536 CC(=O)CCSc1ccc2cc(ccc2c1)N 62a_100000053229_100000185457 [0,2,0,0,0,0|0,1,1]=4 16195 B18R2.273536 CC(=O)CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000053229 [0,2,0,0,0,0|0,1,1]=4 16196 B18R2.273536 CC(=O)CCSc1ccc2cc(ccc2c1)O 62a_100000053229_100000185455 [0,2,0,0,0,0|0,1,1]=4 16197 B18R2.273536 CC(=O)OCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100009813279 [0,2,0,0,0,0|1,0,1]=4 16198 B18R2.273536 CC(=O)OCOc1ccc2cc(ccc2c1)C 34a_100000074090_100009813279 [0,2,0,0,0,0|1,0,1]=4 16199 B18R2.273536 CC(=O)OCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009813279 [0,2,0,0,0,0|1,0,1]=4 16200 B18R2.273536 CC(=O)OCOc1ccc2cc(ccc2c1)F 34a_100009847029_100009813279 [0,2,0,0,0,0|1,0,1]=4 16201 B18R2.273536 CC(Br)COCc1ccc2cc(ccc2c1)Br 34a_100012180447_100012356510 [0,2,0,0,0,0|2,0,0]=4 16202 B18R2.273536 CC(C)CC=Cc1ccc2cc(ccc2c1)N 271570a_100016259101_100000185457 [0,2,0,0,0,0|1,0,1]=4 16203 B18R2.273536 CC(C)CC=Cc1ccc2cc(ccc2c1)O 271570a_100016259101_100000185455 [0,2,0,0,0,0|1,0,1]=4 16204 B18R2.273536 CC(C)CCNc1ccc2cc(ccc2n1)F 27a_100000210545_100011998705 [0,2,0,0,0,0|2,0,0]=4 16205 B18R2.273536 CC(C)CCNc1ccc2cc(cnc2c1)Br 27a_100000210545_200015509644 [0,2,0,0,0,0|2,0,0]=4 16206 B18R2.273536 CC(C)CCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210312 [0,2,0,0,0,0|2,0,0]=4 16207 B18R2.273536 CC(C)CCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210626 [0,2,0,0,0,0|2,0,0]=4 16208 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210312 [0,2,0,0,0,0|0,0,0]=2 16209 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210626 [0,2,0,0,0,0|0,0,0]=2 16210 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210312 [0,2,0,0,0,0|0,0,0]=2 16211 B18R2.273536 CC(C)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210626 [0,2,0,0,0,0|0,0,0]=2 16212 B18R2.273536 CC(C)CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210312 [0,2,0,0,0,0|1,0,0]=3 16213 B18R2.273536 CC(C)CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210626 [0,2,0,0,0,0|1,0,0]=3 16214 B18R2.273536 CC(C)CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210312 [0,2,0,0,0,0|1,0,0]=3 16215 B18R2.273536 CC(C)CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210626 [0,2,0,0,0,0|1,0,0]=3 16216 B18R2.273536 CC(C)CCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210312 [0,2,0,0,0,0|2,0,0]=4 16217 B18R2.273536 CC(C)CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210312 [0,2,0,0,0,0|1,0,0]=3 16218 B18R2.273536 CC(C)CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210626 [0,2,0,0,0,0|1,0,0]=3 16219 B18R2.273536 CC(C)CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210312 [0,2,0,0,0,0|1,0,0]=3 16220 B18R2.273536 CC(C)CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210626 [0,2,0,0,0,0|1,0,0]=3 16221 B18R2.273536 CC(C)CCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210312_100011934725 [0,2,0,0,0,0|1,1,0]=4 16222 B18R2.273536 CC(C)CCSc1ccc2c[n+](ccc2c1)C 62a_100000210312_100015191232 [0,2,0,0,0,0|1,1,0]=4 16223 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210312 [0,2,0,0,0,0|0,1,0]=3 16224 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)N 62a_100000210312_100000185457 [0,2,0,0,0,0|0,1,0]=3 16225 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2c1)O 62a_100000210312_100000185455 [0,2,0,0,0,0|0,1,0]=3 16226 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2n1)F 62a_100000210312_100011998705 [0,2,0,0,0,0|1,1,0]=4 16227 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210312 [0,2,0,0,0,0|1,1,0]=4 16228 B18R2.273536 CC(C)CCSc1ccc2cc(ccc2n1)O 62a_100000210312_100009849208 [0,2,0,0,0,0|1,1,0]=4 16229 B18R2.273536 CC(C)CCSc1ccc2cc(cnc2c1)F 62a_100000210312_100010751466 [0,2,0,0,0,0|1,1,0]=4 16230 B18R2.273536 CC(C)CCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210312 [0,2,0,0,0,0|1,1,0]=4 16231 B18R2.273536 CC(C)CCSc1ccc2cc(cnc2c1)N 62a_100000210312_100010142226 [0,2,0,0,0,0|1,1,0]=4 16232 B18R2.273536 CC(C)CCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000210312 [0,2,0,0,0,0|1,1,0]=4 16233 B18R2.273536 CC(C)CCSc1ccc2cc(ncc2c1)N 62a_100000210312_100010232990 [0,2,0,0,0,0|1,1,0]=4 16234 B18R2.273536 CC(C)CCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000210312 [0,2,0,0,0,0|1,1,0]=4 16235 B18R2.273536 CC(C)CCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210312 [0,2,0,0,0,0|1,1,0]=4 16236 B18R2.273536 CC(C)CCSc1ccc2oc(=O)ccc2c1 62a_100000210312_100009999946 [0,2,0,0,0,0|1,1,0]=4 16237 B18R2.273536 CC(C)CCSc1cnc2cc(ccc2c1)N 62a_100000210312_200010264087 [0,2,0,0,0,0|1,1,0]=4 16238 B18R2.273536 CC(C)CCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000210312 [0,2,0,0,0,0|1,1,0]=4 16239 B18R2.273536 CC(C)CCSc1cnc2cc(ccc2c1)O 62a_100000210312_200010153753 [0,2,0,0,0,0|1,1,0]=4 16240 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 207a_100000210953_100012356508 [0,2,0,0,0,0|2,0,0]=4 16241 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 2230a_100000210953_100012356510 [0,2,0,0,0,0|2,0,0]=4 16242 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 26a_100000210953_100000185455 [0,2,0,0,0,0|2,0,0]=4 16243 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 270004a_100000210953_100012356508 [0,2,0,0,0,0|2,0,0]=4 16244 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)Br 34a_100000210953_100012356510 [0,2,0,0,0,0|2,0,0]=4 16245 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)O 207a_100000210953_100000067190 [0,2,0,0,0,0|2,0,0]=4 16246 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)O 270004a_100000210953_100000067190 [0,2,0,0,0,0|2,0,0]=4 16247 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)O 270004a_200000083168_100000210432 [0,2,0,0,0,0|2,0,0]=4 16248 B18R2.273536 CC(C)CNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210624 [0,2,0,0,0,0|2,0,0]=4 16249 B18R2.273536 CC(C)COCc1ccc2cc(ccc2c1)Br 34a_100000210257_100012356510 [0,2,0,0,0,0|2,0,0]=4 16250 B18R2.273536 CC(C)COCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000210624 [0,2,0,0,0,0|2,0,0]=4 16251 B18R2.273536 CC(C)COCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000210760 [0,2,0,0,0,0|2,0,0]=4 16252 B18R2.273536 CC(C)OCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000709892 [0,2,0,0,0,0|2,0,0]=4 16253 B18R2.273536 CC(C)OCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000709892 [0,2,0,0,0,0|1,0,0]=3 16254 B18R2.273536 CC(C)OCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000709892 [0,2,0,0,0,0|1,0,0]=3 16255 B18R2.273536 CC(C)OCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000709892 [0,2,0,0,0,0|1,0,0]=3 16256 B18R2.273536 CC(C)OCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000709892 [0,2,0,0,0,0|2,0,0]=4 16257 B18R2.273536 CC(C)OCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000709892 [0,2,0,0,0,0|2,0,0]=4 16258 B18R2.273536 CC(C)OCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000709892 [0,2,0,0,0,0|2,0,0]=4 16259 B18R2.273536 CC(C)OCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000709892 [0,2,0,0,0,0|2,0,0]=4 16260 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)F 62a_100000709892_100009817052 [0,2,0,0,0,0|1,1,0]=4 16261 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000709892 [0,2,0,0,0,0|1,1,0]=4 16262 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000709892 [0,2,0,0,0,0|1,1,0]=4 16263 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)N 62a_100000709892_100000185457 [0,2,0,0,0,0|1,1,0]=4 16264 B18R2.273536 CC(C)OCSc1ccc2cc(ccc2c1)O 62a_100000709892_100000185455 [0,2,0,0,0,0|1,1,0]=4 16265 B18R2.273536 CC(F)COCc1ccc2cc(ccc2c1)Br 34a_100015925927_100012356510 [0,2,0,0,0,0|2,0,0]=4 16266 B18R2.273536 CC(O)CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100012276601 [0,2,0,0,0,0|1,0,0]=3 16267 B18R2.273536 CC(O)CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100012276601 [0,2,0,0,0,0|1,0,0]=3 16268 B18R2.273536 CC(O)CCNc1ccc2cc(ccc2n1)F 27a_200000755665_100011998705 [0,2,0,0,0,0|2,0,0]=4 16269 B18R2.273536 CC(O)CCNc1ccc2cc(cnc2c1)Br 27a_200000755665_200015509644 [0,2,0,0,0,0|2,0,0]=4 16270 B18R2.273536 CC(O)CCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100012276601 [0,2,0,0,0,0|2,0,0]=4 16271 B18R2.273536 CC(O)CCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100012276601 [0,2,0,0,0,0|2,0,0]=4 16272 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100012276601 [0,2,0,0,0,0|0,0,0]=2 16273 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100012276601 [0,2,0,0,0,0|0,0,0]=2 16274 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100012276601 [0,2,0,0,0,0|0,0,0]=2 16275 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100012276601 [0,2,0,0,0,0|0,0,0]=2 16276 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100012276601 [0,2,0,0,0,0|0,0,0]=2 16277 B18R2.273536 CC(O)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100012276601 [0,2,0,0,0,0|0,0,0]=2 16278 B18R2.273536 CC(O)CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100012276601 [0,2,0,0,0,0|1,0,0]=3 16279 B18R2.273536 CC(O)CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100012276601 [0,2,0,0,0,0|1,0,0]=3 16280 B18R2.273536 CC(O)CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100012276601 [0,2,0,0,0,0|1,0,0]=3 16281 B18R2.273536 CC(O)CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100012276601 [0,2,0,0,0,0|1,0,0]=3 16282 B18R2.273536 CC(O)CCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100012276601 [0,2,0,0,0,0|2,0,0]=4 16283 B18R2.273536 CC(O)CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100012276601 [0,2,0,0,0,0|1,0,0]=3 16284 B18R2.273536 CC(O)CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100012276601 [0,2,0,0,0,0|1,0,0]=3 16285 B18R2.273536 CC(O)CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100012276601 [0,2,0,0,0,0|1,0,0]=3 16286 B18R2.273536 CC(O)CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100012276601 [0,2,0,0,0,0|1,0,0]=3 16287 B18R2.273536 CC(O)CCSc1ccc2[nH]c(=O)ccc2c1 62a_100012276601_100011934725 [0,2,0,0,0,0|1,1,0]=4 16288 B18R2.273536 CC(O)CCSc1ccc2c[n+](ccc2c1)C 62a_100012276601_100015191232 [0,2,0,0,0,0|1,1,0]=4 16289 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)Br 62a_100012276601_100012344972 [0,2,0,0,0,0|0,1,0]=3 16290 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100012276601 [0,2,0,0,0,0|0,1,0]=3 16291 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100012276601 [0,2,0,0,0,0|0,1,0]=3 16292 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)F 62a_100012276601_100009817052 [0,2,0,0,0,0|0,1,0]=3 16293 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100012276601 [0,2,0,0,0,0|0,1,0]=3 16294 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)N 62a_100012276601_100000185457 [0,2,0,0,0,0|0,1,0]=3 16295 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2c1)O 62a_100012276601_100000185455 [0,2,0,0,0,0|0,1,0]=3 16296 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2n1)F 62a_100012276601_100011998705 [0,2,0,0,0,0|1,1,0]=4 16297 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2n1)F 62a_200012355665_100012276601 [0,2,0,0,0,0|1,1,0]=4 16298 B18R2.273536 CC(O)CCSc1ccc2cc(ccc2n1)O 62a_100012276601_100009849208 [0,2,0,0,0,0|1,1,0]=4 16299 B18R2.273536 CC(O)CCSc1ccc2cc(cnc2c1)Br 62a_100012276601_200015509644 [0,2,0,0,0,0|1,1,0]=4 16300 B18R2.273536 CC(O)CCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100012276601 [0,2,0,0,0,0|1,1,0]=4 16301 B18R2.273536 CC(O)CCSc1ccc2cc(cnc2c1)F 62a_100010751466_100012276601 [0,2,0,0,0,0|1,1,0]=4 16302 B18R2.273536 CC(O)CCSc1ccc2cc(cnc2c1)F 62a_100012276601_100010751466 [0,2,0,0,0,0|1,1,0]=4 16303 B18R2.273536 CC(O)CCSc1ccc2cc(cnc2c1)N 62a_100010142226_100012276601 [0,2,0,0,0,0|1,1,0]=4 16304 B18R2.273536 CC(O)CCSc1ccc2cc(cnc2c1)N 62a_100012276601_100010142226 [0,2,0,0,0,0|1,1,0]=4 16305 B18R2.273536 CC(O)CCSc1ccc2cc(ncc2c1)N 62a_100010232990_100012276601 [0,2,0,0,0,0|1,1,0]=4 16306 B18R2.273536 CC(O)CCSc1ccc2cc(ncc2c1)N 62a_100012276601_100010232990 [0,2,0,0,0,0|1,1,0]=4 16307 B18R2.273536 CC(O)CCSc1ccc2nc(ccc2c1)Cl 62a_100012276601_200012034268 [0,2,0,0,0,0|1,1,0]=4 16308 B18R2.273536 CC(O)CCSc1ccc2nc(ccc2c1)N 62a_100011934619_100012276601 [0,2,0,0,0,0|1,1,0]=4 16309 B18R2.273536 CC(O)CCSc1ccc2oc(=O)ccc2c1 62a_100012276601_100009999946 [0,2,0,0,0,0|1,1,0]=4 16310 B18R2.273536 CC(O)CCSc1cnc2cc(ccc2c1)Cl 62a_100012276601_100015716233 [0,2,0,0,0,0|1,1,0]=4 16311 B18R2.273536 CC(O)CCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100012276601 [0,2,0,0,0,0|1,1,0]=4 16312 B18R2.273536 CC(O)CCSc1cnc2cc(ccc2c1)N 62a_100012276601_200010264087 [0,2,0,0,0,0|1,1,0]=4 16313 B18R2.273536 CC(O)CCSc1cnc2cc(ccc2c1)N 62a_200010264087_100012276601 [0,2,0,0,0,0|1,1,0]=4 16314 B18R2.273536 CC(O)CCSc1cnc2cc(ccc2c1)O 62a_100012276601_200010153753 [0,2,0,0,0,0|1,1,0]=4 16315 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)Br 207a_100000210904_100012356508 [0,2,0,0,0,0|2,0,0]=4 16316 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)Br 2230a_100000210904_100012356510 [0,2,0,0,0,0|2,0,0]=4 16317 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)Br 270004a_100000210904_100012356508 [0,2,0,0,0,0|2,0,0]=4 16318 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)Br 34a_100000210904_100012356510 [0,2,0,0,0,0|2,0,0]=4 16319 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)O 207a_100000210904_100000067190 [0,2,0,0,0,0|2,0,0]=4 16320 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)O 270004a_100000210904_100000067190 [0,2,0,0,0,0|2,0,0]=4 16321 B18R2.273536 CC(O)CNCc1ccc2cc(ccc2c1)O 34a_200000083168_100011218427 [0,2,0,0,0,0|2,0,0]=4 16322 B18R2.273536 CC(O)COCc1ccc2cc(ccc2c1)Br 34a_100012356509_100011218427 [0,2,0,0,0,0|2,0,0]=4 16323 B18R2.273536 CC(O)COCc1ccc2cc(ccc2c1)Br 7a_100012356509_100011218427 [0,2,0,0,0,0|2,0,0]=4 16324 B18R2.273536 CC(O)CSCc1ccc2cc(ccc2c1)Br 62a_100011218427_100012356510 [0,2,0,0,0,0|2,0,0]=4 16325 B18R2.273536 CC(O)CSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100011218427 [0,2,0,0,0,0|2,0,0]=4 16326 B18R2.273536 CN(C)CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000755713 [0,2,0,0,0,0|2,0,0]=4 16327 B18R2.273536 CN(C)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000755713 [0,2,0,0,0,0|1,0,0]=3 16328 B18R2.273536 CN(C)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000755713 [0,2,0,0,0,0|1,0,0]=3 16329 B18R2.273536 CN(C)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000755713 [0,2,0,0,0,0|1,0,0]=3 16330 B18R2.273536 CN(C)CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000755713 [0,2,0,0,0,0|2,0,0]=4 16331 B18R2.273536 CN(C)CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000755713 [0,2,0,0,0,0|2,0,0]=4 16332 B18R2.273536 CN(C)CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000755713 [0,2,0,0,0,0|2,0,0]=4 16333 B18R2.273536 CN(C)CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000755713 [0,2,0,0,0,0|2,0,0]=4 16334 B18R2.273536 CN(C)CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000755713 [0,2,0,0,0,0|1,1,0]=4 16335 B18R2.273536 CN(C)CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000755713 [0,2,0,0,0,0|1,1,0]=4 16336 B18R2.273536 CN(C)CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000755713 [0,2,0,0,0,0|1,1,0]=4 16337 B18R2.273536 C[C@@H](Cl)COCc1ccc2cc(ccc2c1)Br 34a_100016084084_100012356510 [0,2,0,0,0,0|2,0,0]=4 16338 B18R2.273536 C[C@@H](N)COCc1ccc2cc(ccc2c1)Br 34a_100000737577_100012356510 [0,2,0,0,0,0|2,0,0]=4 16339 B18R2.273536 C[C@@H](O)CNCc1ccc2cc(ccc2c1)O 34a_200000083168_100009817552 [0,2,0,0,0,0|2,0,0]=4 16340 B18R2.273536 C[C@@H](O)COCc1ccc2cc(ccc2c1)Br 34a_100012356509_100009817552 [0,2,0,0,0,0|2,0,0]=4 16341 B18R2.273536 C[C@@H](O)COCc1ccc2cc(ccc2c1)Br 7a_100012356509_100009817552 [0,2,0,0,0,0|2,0,0]=4 16342 B18R2.273536 C[C@@H](O)CSCc1ccc2cc(ccc2c1)Br 62a_100009817552_100012356510 [0,2,0,0,0,0|2,0,0]=4 16343 B18R2.273536 C[C@@H](O)CSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100009817552 [0,2,0,0,0,0|2,0,0]=4 16344 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(=O)N 34a_100000074090_100000731001 [0,2,0,0,0,0|1,0,1]=4 16345 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(=O)N 7a_100000074090_100000744528 [0,2,0,0,0,0|1,0,1]=4 16346 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)C 34a_100000074090_100000210312 [0,2,0,0,0,0|0,0,0]=2 16347 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)C 7a_100000074090_100000210626 [0,2,0,0,0,0|0,0,0]=2 16348 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)O 34a_100000074090_100012276601 [0,2,0,0,0,0|0,0,0]=2 16349 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCC(C)O 7a_100000074090_100012276601 [0,2,0,0,0,0|0,0,0]=2 16350 B18R2.273536 Cc1ccc2cc(ccc2c1)OCCN(C)C 7a_100000074090_100000755713 [0,2,0,0,0,0|1,0,0]=3 16351 B18R2.273536 Cc1ccc2cc(ccc2c1)OCOC(C)C 34a_100000074090_100000709892 [0,2,0,0,0,0|1,0,0]=3 16352 B18R2.273536 Cc1ccc2cc(ccc2n1)NCCC(C)C 34a_100011216442_100000210312 [0,2,0,0,0,0|2,0,0]=4 16353 B18R2.273536 Cc1ccc2cc(ccc2n1)NCCC(C)O 34a_100011216442_100012276601 [0,2,0,0,0,0|2,0,0]=4 16354 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)C 34a_100000037634_100000210312 [0,2,0,0,0,0|1,0,0]=3 16355 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)C 7a_100000037634_100000210626 [0,2,0,0,0,0|1,0,0]=3 16356 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)O 34a_100000037634_100012276601 [0,2,0,0,0,0|1,0,0]=3 16357 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCC(C)O 7a_100000037634_100012276601 [0,2,0,0,0,0|1,0,0]=3 16358 B18R2.273536 Cc1ccc2cc(ccc2n1)OCCN(C)C 7a_100000037634_100000755713 [0,2,0,0,0,0|2,0,0]=4 16359 B18R2.273536 Cc1ccc2cc(ccc2n1)OCOC(C)C 34a_100000037634_100000709892 [0,2,0,0,0,0|2,0,0]=4 16360 B18R2.273536 Cc1ccc2cc(ccc2n1)SCCC(C)C 62a_100000210312_100000686635 [0,2,0,0,0,0|1,1,0]=4 16361 B18R2.273536 Cc1ccc2cc(ccc2n1)SCCC(C)C 62a_100000686635_100000210312 [0,2,0,0,0,0|1,1,0]=4 16362 B18R2.273536 Cc1ccc2cc(ccc2n1)SCCC(C)O 62a_100000686635_100012276601 [0,2,0,0,0,0|1,1,0]=4 16363 B18R2.273536 Cc1ccc2cc(ccc2n1)SCCC(C)O 62a_100012276601_100000686635 [0,2,0,0,0,0|1,1,0]=4 16364 B18R2.273536 Cc1ccc2nc(ccc2c1)NCCC(C)C 27a_100000210545_100011865911 [0,2,0,0,0,0|2,0,0]=4 16365 B18R2.273536 Cc1ccc2nc(ccc2c1)NCCC(C)O 27a_200000755665_100011865911 [0,2,0,0,0,0|2,0,0]=4 16366 B18R2.273536 Cc1ccc2nc(ccc2c1)SCCC(C)C 62a_100000210312_100011865911 [0,2,0,0,0,0|1,1,0]=4 16367 B18R2.273536 Cc1ccc2nc(ccc2c1)SCCC(C)C 62a_200000181977_100000210312 [0,2,0,0,0,0|1,1,0]=4 16368 B18R2.273536 Cc1ccc2nc(ccc2c1)SCCC(C)O 62a_100012276601_100011865911 [0,2,0,0,0,0|1,1,0]=4 16369 B18R2.273536 Cc1ccc2nc(ccc2c1)SCCC(C)O 62a_200000181977_100012276601 [0,2,0,0,0,0|1,1,0]=4 16370 B18R2.273536 Cc1cnc2cc(ccc2c1)SCCC(C)C 62a_100000210312_100010751441 [0,2,0,0,0,0|1,1,0]=4 16371 B18R2.273536 Cc1cnc2cc(ccc2c1)SCCC(C)O 62a_100012276601_100010751441 [0,2,0,0,0,0|1,1,0]=4 16372 B18R2.273536 NC(=O)CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000731001 [0,2,0,0,0,0|1,0,1]=4 16373 B18R2.273536 NC(=O)CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000744528 [0,2,0,0,0,0|1,0,1]=4 16374 B18R2.273536 NC(=O)CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000731001 [0,2,0,0,0,0|1,0,1]=4 16375 B18R2.273536 NC(=O)CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000744528 [0,2,0,0,0,0|1,0,1]=4 16376 B18R2.273536 NC(=O)CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000731001 [0,2,0,0,0,0|1,0,1]=4 16377 B18R2.273536 NC(=O)CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000744528 [0,2,0,0,0,0|1,0,1]=4 16378 B18R2.9737 BrCCCCOCc1cc2ccccc2cn1 34a_100011216708_100009869231 [0,2,0,0,0,0|1,0,0]=3 16379 B18R2.9737 BrCCCCOCc1ccc2ccccc2c1 34a_100011216708_100011216711 [0,2,0,0,0,0|0,0,0]=2 16380 B18R2.9737 BrCCCCOCc1ccc2ccccc2n1 34a_100011216708_100000737579 [0,2,0,0,0,0|1,0,0]=3 16381 B18R2.9737 BrCCCCOCc1ccc2cnccc2c1 34a_100011216708_100020605334 [0,2,0,0,0,0|1,0,0]=3 16382 B18R2.9737 BrCCCCOCc1ccc2ncccc2c1 34a_100011216708_100000703657 [0,2,0,0,0,0|1,0,0]=3 16383 B18R2.9737 BrCCCCOCc1ncc2ccccc2n1 34a_100011216708_100009868571 [0,2,0,0,0,0|2,0,0]=4 16384 B18R2.9737 C#CCCCCNc1ccc2ccccc2c1 34a_100000211940_100010269958 [0,2,0,0,0,0|1,0,0]=3 16385 B18R2.9737 C#CCCCCNc1ccc2ccccc2c1 7a_100000211940_100010269958 [0,2,0,0,0,0|1,0,0]=3 16386 B18R2.9737 C#CCCCCNc1ccc2ccccc2n1 27a_100000706060_100011291633 [0,2,0,0,0,0|2,0,0]=4 16387 B18R2.9737 C#CCCCCNc1ccc2cccnc2c1 34a_100102887122_100010269958 [0,2,0,0,0,0|2,0,0]=4 16388 B18R2.9737 C#CCCCCNc1ccc2cnccc2c1 34a_100000039641_100010269958 [0,2,0,0,0,0|2,0,0]=4 16389 B18R2.9737 C#CCCCCNc1ccc2ncccc2c1 34a_100011198106_100010269958 [0,2,0,0,0,0|2,0,0]=4 16390 B18R2.9737 C#CCCCCOc1ccc2ccccc2c1 34a_100000185828_100010269958 [0,2,0,0,0,0|0,0,0]=2 16391 B18R2.9737 C#CCCCCOc1ccc2ccccc2c1 7a_100000185828_100010269958 [0,2,0,0,0,0|0,0,0]=2 16392 B18R2.9737 C#CCCCCOc1ccc2cccnc2c1 34a_100011216045_100010269958 [0,2,0,0,0,0|1,0,0]=3 16393 B18R2.9737 C#CCCCCOc1ccc2ccncc2c1 7a_100000752006_100010269958 [0,2,0,0,0,0|1,0,0]=3 16394 B18R2.9737 C#CCCCCOc1ccc2cnccc2c1 34a_100000046372_100010269958 [0,2,0,0,0,0|1,0,0]=3 16395 B18R2.9737 C#CCCCCOc1ccc2cnccc2c1 7a_100000046372_100010269958 [0,2,0,0,0,0|1,0,0]=3 16396 B18R2.9737 C#CCCCCOc1ccc2ncccc2c1 34a_100011215586_100010269958 [0,2,0,0,0,0|1,0,0]=3 16397 B18R2.9737 C#CCCCCOc1ccc2ncccc2c1 7a_100011215586_100010269958 [0,2,0,0,0,0|1,0,0]=3 16398 B18R2.9737 C#CCCCCOc1ccc2nccnc2c1 34a_100000694412_100010269958 [0,2,0,0,0,0|2,0,0]=4 16399 B18R2.9737 C#CCCCCOc1cnc2ccccc2c1 34a_100011934006_100010269958 [0,2,0,0,0,0|1,0,0]=3 16400 B18R2.9737 C#CCCCCOc1cnc2ccccc2c1 7a_100011934006_100010269958 [0,2,0,0,0,0|1,0,0]=3 16401 B18R2.9737 C#CCCCCSc1cc2ccccc2cn1 62a_100009816522_100010269958 [0,2,0,0,0,0|1,1,0]=4 16402 B18R2.9737 C#CCCCCSc1cc2ccccc2cn1 62a_100010269958_100000047361 [0,2,0,0,0,0|1,1,0]=4 16403 B18R2.9737 C#CCCCCSc1ccc2ccccc2c1 62a_100010269958_100000233703 [0,2,0,0,0,0|0,1,0]=3 16404 B18R2.9737 C#CCCCCSc1ccc2ccccc2n1 62a_100010269958_100011291633 [0,2,0,0,0,0|1,1,0]=4 16405 B18R2.9737 C#CCCCCSc1ccc2ccccc2n1 62a_100011291633_100010269958 [0,2,0,0,0,0|1,1,0]=4 16406 B18R2.9737 C#CCCCCSc1ccc2cccnc2c1 62a_100010269958_100009816655 [0,2,0,0,0,0|1,1,0]=4 16407 B18R2.9737 C#CCCCCSc1ccc2ccncc2c1 62a_100000686496_100010269958 [0,2,0,0,0,0|1,1,0]=4 16408 B18R2.9737 C#CCCCCSc1ccc2ccncc2c1 62a_100010269958_100000686496 [0,2,0,0,0,0|1,1,0]=4 16409 B18R2.9737 C#CCCCCSc1ccc2cnccc2c1 62a_100009816743_100010269958 [0,2,0,0,0,0|1,1,0]=4 16410 B18R2.9737 C#CCCCCSc1ccc2cnccc2c1 62a_100010269958_100009816743 [0,2,0,0,0,0|1,1,0]=4 16411 B18R2.9737 C#CCCCCSc1ccc2ncccc2c1 62a_100010269958_100011215947 [0,2,0,0,0,0|1,1,0]=4 16412 B18R2.9737 C#CCCCCSc1ccc2ncccc2c1 62a_100011215947_100010269958 [0,2,0,0,0,0|1,1,0]=4 16413 B18R2.9737 C#CCCCCSc1cnc2ccccc2c1 62a_100010269958_100000737414 [0,2,0,0,0,0|1,1,0]=4 16414 B18R2.9737 C#CCCCNCc1ccc2ccccc2c1 207a_100000718082_100000211584 [0,2,0,0,0,0|1,0,1]=4 16415 B18R2.9737 C#CCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000731252 [0,2,0,0,0,0|1,0,1]=4 16416 B18R2.9737 C#CCCCNCc1ccc2ccccc2c1 270004a_100000718082_100000211584 [0,2,0,0,0,0|1,0,1]=4 16417 B18R2.9737 C#CCCCNCc1ccc2ccccc2c1 34a_100000718082_100011216711 [0,2,0,0,0,0|1,0,1]=4 16418 B18R2.9737 C#CCCCNCc1ccc2ccccc2c1 34a_100000739491_100000695029 [0,2,0,0,0,0|1,0,1]=4 16419 B18R2.9737 C#CCCCOCc1cc2ccccc2cn1 34a_100000215630_100009869231 [0,2,0,0,0,0|1,0,1]=4 16420 B18R2.9737 C#CCCCOCc1cc2ccccc2cn1 7a_100000215630_100009869231 [0,2,0,0,0,0|1,0,1]=4 16421 B18R2.9737 C#CCCCOCc1ccc2ccccc2c1 34a_100000215630_100011216711 [0,2,0,0,0,0|0,0,1]=3 16422 B18R2.9737 C#CCCCOCc1ccc2ccccc2c1 34a_100011215330_100000695029 [0,2,0,0,0,0|0,0,1]=3 16423 B18R2.9737 C#CCCCOCc1ccc2ccccc2c1 7a_100000215630_100011216711 [0,2,0,0,0,0|0,0,1]=3 16424 B18R2.9737 C#CCCCOCc1ccc2ccccc2c1 7a_100011215330_100011215417 [0,2,0,0,0,0|0,0,1]=3 16425 B18R2.9737 C#CCCCOCc1ccc2ccccc2n1 34a_100000215630_100000737579 [0,2,0,0,0,0|1,0,1]=4 16426 B18R2.9737 C#CCCCOCc1ccc2ccccc2n1 7a_100000215630_100000737579 [0,2,0,0,0,0|1,0,1]=4 16427 B18R2.9737 C#CCCCOCc1ccc2cnccc2c1 34a_100000215630_100020605334 [0,2,0,0,0,0|1,0,1]=4 16428 B18R2.9737 C#CCCCOCc1ccc2cnccc2c1 7a_100000215630_100020605334 [0,2,0,0,0,0|1,0,1]=4 16429 B18R2.9737 C#CCCCOCc1ccc2ncccc2c1 34a_100000215630_100000703657 [0,2,0,0,0,0|1,0,1]=4 16430 B18R2.9737 C#CCCCOCc1ccc2ncccc2c1 34a_100011315636_100000695029 [0,2,0,0,0,0|1,0,1]=4 16431 B18R2.9737 C#CCCCOCc1ccc2ncccc2c1 7a_100000215630_100000703657 [0,2,0,0,0,0|1,0,1]=4 16432 B18R2.9737 C#CCCCOCc1cnc2ccccc2c1 34a_100011258773_100000695029 [0,2,0,0,0,0|1,0,1]=4 16433 B18R2.9737 C#CCCCSCc1ccc2ccccc2c1 62a_100011215417_100011216711 [0,2,0,0,0,0|0,1,1]=4 16434 B18R2.9737 C#CCCCSCc1ccc2ccccc2c1 62a_100011216711_100011215417 [0,2,0,0,0,0|0,1,1]=4 16435 B18R2.9737 C#CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000688953 [0,2,0,0,0,0|1,0,1]=4 16436 B18R2.9737 C#CCCNCCc1ccc2ccccc2c1 34a_100000746582_100000688953 [0,2,0,0,0,0|1,0,1]=4 16437 B18R2.9737 C#CCCOCCc1ccc2ccccc2c1 34a_100000755654_100000688953 [0,2,0,0,0,0|0,0,2]=4 16438 B18R2.9737 C#CCCOCCc1ccc2ccccc2c1 7a_100000755654_100000688953 [0,2,0,0,0,0|0,0,2]=4 16439 B18R2.9737 C#CCOCCNc1ccc2ccccc2c1 34a_100000211940_100010402529 [0,2,0,0,0,0|1,0,1]=4 16440 B18R2.9737 C#CCOCCNc1ccc2ccccc2c1 7a_100000211940_100010402529 [0,2,0,0,0,0|1,0,1]=4 16441 B18R2.9737 C#CCOCCOc1ccc2ccccc2c1 34a_100000185828_100010402529 [0,2,0,0,0,0|0,0,1]=3 16442 B18R2.9737 C#CCOCCOc1ccc2ccccc2c1 34a_200011219602_100000184674 [0,2,0,0,0,0|0,0,1]=3 16443 B18R2.9737 C#CCOCCOc1ccc2ccccc2c1 7a_100000185828_100010402529 [0,2,0,0,0,0|0,0,1]=3 16444 B18R2.9737 C#CCOCCOc1ccc2ccccc2c1 7a_200011219602_100000038162 [0,2,0,0,0,0|0,0,1]=3 16445 B18R2.9737 C#CCOCCOc1ccc2cccnc2c1 34a_100011216045_100010402529 [0,2,0,0,0,0|1,0,1]=4 16446 B18R2.9737 C#CCOCCOc1ccc2ccncc2c1 7a_100000752006_100010402529 [0,2,0,0,0,0|1,0,1]=4 16447 B18R2.9737 C#CCOCCOc1ccc2cnccc2c1 34a_100000046372_100010402529 [0,2,0,0,0,0|1,0,1]=4 16448 B18R2.9737 C#CCOCCOc1ccc2cnccc2c1 7a_100000046372_100010402529 [0,2,0,0,0,0|1,0,1]=4 16449 B18R2.9737 C#CCOCCOc1ccc2ncccc2c1 34a_100011215586_100010402529 [0,2,0,0,0,0|1,0,1]=4 16450 B18R2.9737 C#CCOCCOc1ccc2ncccc2c1 7a_100011215586_100010402529 [0,2,0,0,0,0|1,0,1]=4 16451 B18R2.9737 C#CCOCCOc1cnc2ccccc2c1 34a_100011934006_100010402529 [0,2,0,0,0,0|1,0,1]=4 16452 B18R2.9737 C#CCOCCOc1cnc2ccccc2c1 7a_100011934006_100010402529 [0,2,0,0,0,0|1,0,1]=4 16453 B18R2.9737 C#CCOCCSc1ccc2ccccc2c1 62a_100010402529_100000233703 [0,2,0,0,0,0|0,1,1]=4 16454 B18R2.9737 C/C=C/CCOCc1cc2ccccc2cn1 34a_100016278192_100009869231 [0,2,0,0,0,0|1,0,1]=4 16455 B18R2.9737 C/C=C/CCOCc1ccc2ccccc2c1 34a_100016278192_100011216711 [0,2,0,0,0,0|0,0,1]=3 16456 B18R2.9737 C/C=C/CCOCc1ccc2ccccc2n1 34a_100016278192_100000737579 [0,2,0,0,0,0|1,0,1]=4 16457 B18R2.9737 C/C=C/CCOCc1ccc2cnccc2c1 34a_100016278192_100020605334 [0,2,0,0,0,0|1,0,1]=4 16458 B18R2.9737 C/C=C/CCOCc1ccc2ncccc2c1 34a_100016278192_100000703657 [0,2,0,0,0,0|1,0,1]=4 16459 B18R2.9737 C/C=C/CNCCc1ccc2ccccc2c1 34a_100000746582_100102629194 [0,2,0,0,0,0|1,0,1]=4 16460 B18R2.9737 C/C=C/COCCc1ccc2ccccc2c1 34a_100000755654_100102629194 [0,2,0,0,0,0|0,0,2]=4 16461 B18R2.9737 C/C=C/COCCc1ccc2ccccc2c1 7a_100000755654_100102629194 [0,2,0,0,0,0|0,0,2]=4 16462 B18R2.9737 C=CCCCCNc1ccc2ccccc2c1 34a_100000211940_100011215482 [0,2,0,0,0,0|1,0,0]=3 16463 B18R2.9737 C=CCCCCNc1ccc2ccccc2c1 7a_100000211940_100011215482 [0,2,0,0,0,0|1,0,0]=3 16464 B18R2.9737 C=CCCCCNc1ccc2ccccc2n1 27a_100000703577_100011291633 [0,2,0,0,0,0|2,0,0]=4 16465 B18R2.9737 C=CCCCCNc1ccc2cccnc2c1 34a_100102887122_100011215482 [0,2,0,0,0,0|2,0,0]=4 16466 B18R2.9737 C=CCCCCNc1ccc2cnccc2c1 34a_100000039641_100011215482 [0,2,0,0,0,0|2,0,0]=4 16467 B18R2.9737 C=CCCCCNc1ccc2ncccc2c1 34a_100011198106_100011215482 [0,2,0,0,0,0|2,0,0]=4 16468 B18R2.9737 C=CCCCCOc1ccc2ccccc2c1 34a_100000185828_100011215482 [0,2,0,0,0,0|0,0,0]=2 16469 B18R2.9737 C=CCCCCOc1ccc2ccccc2c1 7a_100000185828_100011215482 [0,2,0,0,0,0|0,0,0]=2 16470 B18R2.9737 C=CCCCCOc1ccc2cccnc2c1 34a_100011216045_100011215482 [0,2,0,0,0,0|1,0,0]=3 16471 B18R2.9737 C=CCCCCOc1ccc2ccncc2c1 7a_100000752006_100011215482 [0,2,0,0,0,0|1,0,0]=3 16472 B18R2.9737 C=CCCCCOc1ccc2cnccc2c1 34a_100000046372_100011215482 [0,2,0,0,0,0|1,0,0]=3 16473 B18R2.9737 C=CCCCCOc1ccc2cnccc2c1 7a_100000046372_100011215482 [0,2,0,0,0,0|1,0,0]=3 16474 B18R2.9737 C=CCCCCOc1ccc2ncccc2c1 34a_100011215586_100011215482 [0,2,0,0,0,0|1,0,0]=3 16475 B18R2.9737 C=CCCCCOc1ccc2ncccc2c1 7a_100011215586_100011215482 [0,2,0,0,0,0|1,0,0]=3 16476 B18R2.9737 C=CCCCCOc1ccc2nccnc2c1 34a_100000694412_100011215482 [0,2,0,0,0,0|2,0,0]=4 16477 B18R2.9737 C=CCCCCOc1cnc2ccccc2c1 34a_100011934006_100011215482 [0,2,0,0,0,0|1,0,0]=3 16478 B18R2.9737 C=CCCCCOc1cnc2ccccc2c1 7a_100011934006_100011215482 [0,2,0,0,0,0|1,0,0]=3 16479 B18R2.9737 C=CCCCCSc1cc2ccccc2cn1 62a_100009816522_100011215482 [0,2,0,0,0,0|1,1,0]=4 16480 B18R2.9737 C=CCCCCSc1cc2ccccc2cn1 62a_100011215482_100000047361 [0,2,0,0,0,0|1,1,0]=4 16481 B18R2.9737 C=CCCCCSc1ccc2ccccc2n1 62a_100011215482_100011291633 [0,2,0,0,0,0|1,1,0]=4 16482 B18R2.9737 C=CCCCCSc1ccc2ccccc2n1 62a_100011291633_100011215482 [0,2,0,0,0,0|1,1,0]=4 16483 B18R2.9737 C=CCCCCSc1ccc2cccnc2c1 62a_100011215482_100009816655 [0,2,0,0,0,0|1,1,0]=4 16484 B18R2.9737 C=CCCCCSc1ccc2ccncc2c1 62a_100000686496_100011215482 [0,2,0,0,0,0|1,1,0]=4 16485 B18R2.9737 C=CCCCCSc1ccc2ccncc2c1 62a_100011215482_100000686496 [0,2,0,0,0,0|1,1,0]=4 16486 B18R2.9737 C=CCCCCSc1ccc2cnccc2c1 62a_100009816743_100011215482 [0,2,0,0,0,0|1,1,0]=4 16487 B18R2.9737 C=CCCCCSc1ccc2cnccc2c1 62a_100011215482_100009816743 [0,2,0,0,0,0|1,1,0]=4 16488 B18R2.9737 C=CCCCCSc1ccc2ncccc2c1 62a_100011215482_100011215947 [0,2,0,0,0,0|1,1,0]=4 16489 B18R2.9737 C=CCCCCSc1ccc2ncccc2c1 62a_100011215947_100011215482 [0,2,0,0,0,0|1,1,0]=4 16490 B18R2.9737 C=CCCCCSc1cnc2ccccc2c1 62a_100011215482_100000737414 [0,2,0,0,0,0|1,1,0]=4 16491 B18R2.9737 C=CCCCNCc1ccc2ccccc2c1 2230a_100000700776_100011216711 [0,2,0,0,0,0|1,0,1]=4 16492 B18R2.9737 C=CCCCNCc1ccc2ccccc2c1 2230a_100000739491_100011713584 [0,2,0,0,0,0|1,0,1]=4 16493 B18R2.9737 C=CCCCNCc1ccc2ccccc2c1 270004a_100000700776_100000211584 [0,2,0,0,0,0|1,0,1]=4 16494 B18R2.9737 C=CCCCNCc1ccc2ccccc2c1 34a_100000700776_100011216711 [0,2,0,0,0,0|1,0,1]=4 16495 B18R2.9737 C=CCCCNCc1ccc2ccccc2c1 34a_100000739491_100000757094 [0,2,0,0,0,0|1,0,1]=4 16496 B18R2.9737 C=CCCCOCc1cc2ccccc2cn1 34a_100000758997_100009869231 [0,2,0,0,0,0|1,0,1]=4 16497 B18R2.9737 C=CCCCOCc1cc2ccccc2cn1 7a_100000758997_100009869231 [0,2,0,0,0,0|1,0,1]=4 16498 B18R2.9737 C=CCCCOCc1ccc2ccccc2c1 34a_100000758997_100011216711 [0,2,0,0,0,0|0,0,1]=3 16499 B18R2.9737 C=CCCCOCc1ccc2ccccc2c1 34a_100011215330_100000757094 [0,2,0,0,0,0|0,0,1]=3 16500 B18R2.9737 C=CCCCOCc1ccc2ccccc2c1 7a_100000758997_100011216711 [0,2,0,0,0,0|0,0,1]=3 16501 B18R2.9737 C=CCCCOCc1ccc2ccccc2c1 7a_100011215330_100000757094 [0,2,0,0,0,0|0,0,1]=3 16502 B18R2.9737 C=CCCCOCc1ccc2ccccc2n1 34a_100000758997_100000737579 [0,2,0,0,0,0|1,0,1]=4 16503 B18R2.9737 C=CCCCOCc1ccc2ccccc2n1 7a_100000758997_100000737579 [0,2,0,0,0,0|1,0,1]=4 16504 B18R2.9737 C=CCCCOCc1ccc2cnccc2c1 34a_100000758997_100020605334 [0,2,0,0,0,0|1,0,1]=4 16505 B18R2.9737 C=CCCCOCc1ccc2cnccc2c1 7a_100000758997_100020605334 [0,2,0,0,0,0|1,0,1]=4 16506 B18R2.9737 C=CCCCOCc1ccc2ncccc2c1 34a_100000758997_100000703657 [0,2,0,0,0,0|1,0,1]=4 16507 B18R2.9737 C=CCCCOCc1ccc2ncccc2c1 34a_100011315636_100000757094 [0,2,0,0,0,0|1,0,1]=4 16508 B18R2.9737 C=CCCCOCc1ccc2ncccc2c1 7a_100000758997_100000703657 [0,2,0,0,0,0|1,0,1]=4 16509 B18R2.9737 C=CCCCOCc1cnc2ccccc2c1 34a_100011258773_100000757094 [0,2,0,0,0,0|1,0,1]=4 16510 B18R2.9737 C=CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000754431 [0,2,0,0,0,0|1,0,1]=4 16511 B18R2.9737 C=CCCNCCc1ccc2ccccc2c1 34a_100000746582_100000754431 [0,2,0,0,0,0|1,0,1]=4 16512 B18R2.9737 C=CCCOCCc1ccc2ccccc2c1 34a_100000755654_100000754431 [0,2,0,0,0,0|0,0,2]=4 16513 B18R2.9737 C=CCCOCCc1ccc2ccccc2c1 7a_100000755654_100000754431 [0,2,0,0,0,0|0,0,2]=4 16514 B18R2.9737 C=CCOCCOc1ccc2ccccc2c1 34a_200011219602_100015514636 [0,2,0,0,0,0|0,0,1]=3 16515 B18R2.9737 C=CCOCCOc1ccc2ccccc2c1 7a_200011219602_100015514636 [0,2,0,0,0,0|0,0,1]=3 16516 B18R2.9737 C=COCCOCc1ccc2ccccc2c1 34a_100000033082_100011216711 [0,2,0,0,0,0|0,0,2]=4 16517 B18R2.9737 C=COCCOCc1ccc2ccccc2c1 34a_100011215330_100000039644 [0,2,0,0,0,0|0,0,2]=4 16518 B18R2.9737 C=COCCOCc1ccc2ccccc2c1 7a_100011215330_100000039644 [0,2,0,0,0,0|0,0,2]=4 16519 B18R2.9737 CC#CCCOCc1cc2ccccc2cn1 34a_100000750427_100009869231 [0,2,0,0,0,0|1,0,1]=4 16520 B18R2.9737 CC#CCCOCc1ccc2ccccc2c1 34a_100000750427_100011216711 [0,2,0,0,0,0|0,0,1]=3 16521 B18R2.9737 CC#CCCOCc1ccc2ccccc2n1 34a_100000750427_100000737579 [0,2,0,0,0,0|1,0,1]=4 16522 B18R2.9737 CC#CCCOCc1ccc2cnccc2c1 34a_100000750427_100020605334 [0,2,0,0,0,0|1,0,1]=4 16523 B18R2.9737 CC#CCCOCc1ccc2ncccc2c1 34a_100000750427_100000703657 [0,2,0,0,0,0|1,0,1]=4 16524 B18R2.9737 CC#CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000748600 [0,2,0,0,0,0|1,0,1]=4 16525 B18R2.9737 CC#CCNCCc1ccc2ccccc2c1 34a_100000746582_100000748600 [0,2,0,0,0,0|1,0,1]=4 16526 B18R2.9737 CC#CCOCCc1ccc2ccccc2c1 34a_100000755654_100000748600 [0,2,0,0,0,0|0,0,2]=4 16527 B18R2.9737 CC#CCOCCc1ccc2ccccc2c1 7a_100000755654_100000748600 [0,2,0,0,0,0|0,0,2]=4 16528 B18R2.9737 CC/C=C\CCNc1ccc2ccccc2c1 34a_100000211940_100015370543 [0,2,0,0,0,0|1,0,0]=3 16529 B18R2.9737 CC/C=C\CCNc1ccc2ccccc2c1 7a_100000211940_100015370543 [0,2,0,0,0,0|1,0,0]=3 16530 B18R2.9737 CC/C=C\CCNc1ccc2cccnc2c1 34a_100102887122_100015370543 [0,2,0,0,0,0|2,0,0]=4 16531 B18R2.9737 CC/C=C\CCNc1ccc2cnccc2c1 34a_100000039641_100015370543 [0,2,0,0,0,0|2,0,0]=4 16532 B18R2.9737 CC/C=C\CCNc1ccc2ncccc2c1 34a_100011198106_100015370543 [0,2,0,0,0,0|2,0,0]=4 16533 B18R2.9737 CC/C=C\CCOc1ccc2ccccc2c1 34a_100000185828_100015370543 [0,2,0,0,0,0|0,0,0]=2 16534 B18R2.9737 CC/C=C\CCOc1ccc2ccccc2c1 7a_100000185828_100015370543 [0,2,0,0,0,0|0,0,0]=2 16535 B18R2.9737 CC/C=C\CCOc1ccc2cccnc2c1 34a_100011216045_100015370543 [0,2,0,0,0,0|1,0,0]=3 16536 B18R2.9737 CC/C=C\CCOc1ccc2ccncc2c1 7a_100000752006_100015370543 [0,2,0,0,0,0|1,0,0]=3 16537 B18R2.9737 CC/C=C\CCOc1ccc2cnccc2c1 34a_100000046372_100015370543 [0,2,0,0,0,0|1,0,0]=3 16538 B18R2.9737 CC/C=C\CCOc1ccc2cnccc2c1 7a_100000046372_100015370543 [0,2,0,0,0,0|1,0,0]=3 16539 B18R2.9737 CC/C=C\CCOc1ccc2ncccc2c1 34a_100011215586_100015370543 [0,2,0,0,0,0|1,0,0]=3 16540 B18R2.9737 CC/C=C\CCOc1ccc2ncccc2c1 7a_100011215586_100015370543 [0,2,0,0,0,0|1,0,0]=3 16541 B18R2.9737 CC/C=C\CCOc1ccc2nccnc2c1 34a_100000694412_100015370543 [0,2,0,0,0,0|2,0,0]=4 16542 B18R2.9737 CC/C=C\CCOc1cnc2ccccc2c1 34a_100011934006_100015370543 [0,2,0,0,0,0|1,0,0]=3 16543 B18R2.9737 CC/C=C\CCOc1cnc2ccccc2c1 7a_100011934006_100015370543 [0,2,0,0,0,0|1,0,0]=3 16544 B18R2.9737 CC/C=C\CCSc1cc2ccccc2cn1 62a_100009816522_100015370543 [0,2,0,0,0,0|1,1,0]=4 16545 B18R2.9737 CC/C=C\CCSc1cc2ccccc2cn1 62a_100015370543_100000047361 [0,2,0,0,0,0|1,1,0]=4 16546 B18R2.9737 CC/C=C\CCSc1ccc2ccccc2n1 62a_100011291633_100015370543 [0,2,0,0,0,0|1,1,0]=4 16547 B18R2.9737 CC/C=C\CCSc1ccc2ccccc2n1 62a_100015370543_100011291633 [0,2,0,0,0,0|1,1,0]=4 16548 B18R2.9737 CC/C=C\CCSc1ccc2cccnc2c1 62a_100015370543_100009816655 [0,2,0,0,0,0|1,1,0]=4 16549 B18R2.9737 CC/C=C\CCSc1ccc2ccncc2c1 62a_100000686496_100015370543 [0,2,0,0,0,0|1,1,0]=4 16550 B18R2.9737 CC/C=C\CCSc1ccc2ccncc2c1 62a_100015370543_100000686496 [0,2,0,0,0,0|1,1,0]=4 16551 B18R2.9737 CC/C=C\CCSc1ccc2cnccc2c1 62a_100009816743_100015370543 [0,2,0,0,0,0|1,1,0]=4 16552 B18R2.9737 CC/C=C\CCSc1ccc2cnccc2c1 62a_100015370543_100009816743 [0,2,0,0,0,0|1,1,0]=4 16553 B18R2.9737 CC/C=C\CCSc1ccc2ncccc2c1 62a_100011215947_100015370543 [0,2,0,0,0,0|1,1,0]=4 16554 B18R2.9737 CC/C=C\CCSc1ccc2ncccc2c1 62a_100015370543_100011215947 [0,2,0,0,0,0|1,1,0]=4 16555 B18R2.9737 CC/C=C\CCSc1cnc2ccccc2c1 62a_100015370543_100000737414 [0,2,0,0,0,0|1,1,0]=4 16556 B18R2.9737 CC/C=C\CNCc1ccc2ccccc2c1 2230a_100000739491_100103147603 [0,2,0,0,0,0|1,0,1]=4 16557 B18R2.9737 CC/C=C\CNCc1ccc2ccccc2c1 34a_100000739491_100103147603 [0,2,0,0,0,0|1,0,1]=4 16558 B18R2.9737 CC/C=C\COCc1cc2ccccc2cn1 34a_100016268518_100009869231 [0,2,0,0,0,0|1,0,1]=4 16559 B18R2.9737 CC/C=C\COCc1ccc2ccccc2c1 34a_100011215330_100103147603 [0,2,0,0,0,0|0,0,1]=3 16560 B18R2.9737 CC/C=C\COCc1ccc2ccccc2c1 34a_100016268518_100011216711 [0,2,0,0,0,0|0,0,1]=3 16561 B18R2.9737 CC/C=C\COCc1ccc2ccccc2c1 7a_100011215330_100103147603 [0,2,0,0,0,0|0,0,1]=3 16562 B18R2.9737 CC/C=C\COCc1ccc2ccccc2n1 34a_100016268518_100000737579 [0,2,0,0,0,0|1,0,1]=4 16563 B18R2.9737 CC/C=C\COCc1ccc2cnccc2c1 34a_100016268518_100020605334 [0,2,0,0,0,0|1,0,1]=4 16564 B18R2.9737 CC/C=C\COCc1ccc2ncccc2c1 34a_100011315636_100103147603 [0,2,0,0,0,0|1,0,1]=4 16565 B18R2.9737 CC/C=C\COCc1ccc2ncccc2c1 34a_100016268518_100000703657 [0,2,0,0,0,0|1,0,1]=4 16566 B18R2.9737 CC/C=C\COCc1cnc2ccccc2c1 34a_100011258773_100103147603 [0,2,0,0,0,0|1,0,1]=4 16567 B18R2.9737 CC=CCNCCc1ccc2ccccc2c1 2230a_100000746582_100000070051 [0,2,0,0,0,0|1,0,1]=4 16568 B18R2.9737 CC=CCNCCc1ccc2ccccc2c1 34a_100000746582_100000070051 [0,2,0,0,0,0|1,0,1]=4 16569 B18R2.9737 CC=CCOCCc1ccc2ccccc2c1 34a_100000755654_100000070051 [0,2,0,0,0,0|0,0,2]=4 16570 B18R2.9737 CC=CCOCCc1ccc2ccccc2c1 7a_100000755654_100000070051 [0,2,0,0,0,0|0,0,2]=4 16571 B18R2.9737 CCC#CCNCc1ccc2ccccc2c1 2230a_100000739491_100009813939 [0,2,0,0,0,0|1,0,1]=4 16572 B18R2.9737 CCC#CCNCc1ccc2ccccc2c1 34a_100000739491_100009813939 [0,2,0,0,0,0|1,0,1]=4 16573 B18R2.9737 CCC#CCOCc1cc2ccccc2cn1 34a_100000032950_100009869231 [0,2,0,0,0,0|1,0,1]=4 16574 B18R2.9737 CCC#CCOCc1ccc2ccccc2c1 34a_100000032950_100011216711 [0,2,0,0,0,0|0,0,1]=3 16575 B18R2.9737 CCC#CCOCc1ccc2ccccc2c1 34a_100011215330_100009813939 [0,2,0,0,0,0|0,0,1]=3 16576 B18R2.9737 CCC#CCOCc1ccc2ccccc2c1 7a_100011215330_100009813939 [0,2,0,0,0,0|0,0,1]=3 16577 B18R2.9737 CCC#CCOCc1ccc2ccccc2n1 34a_100000032950_100000737579 [0,2,0,0,0,0|1,0,1]=4 16578 B18R2.9737 CCC#CCOCc1ccc2cnccc2c1 34a_100000032950_100020605334 [0,2,0,0,0,0|1,0,1]=4 16579 B18R2.9737 CCC#CCOCc1ccc2ncccc2c1 34a_100000032950_100000703657 [0,2,0,0,0,0|1,0,1]=4 16580 B18R2.9737 CCC#CCOCc1ccc2ncccc2c1 34a_100011315636_100009813939 [0,2,0,0,0,0|1,0,1]=4 16581 B18R2.9737 CCC#CCOCc1cnc2ccccc2c1 34a_100011258773_100009813939 [0,2,0,0,0,0|1,0,1]=4 16582 B18R2.9737 CCC#CCSCc1ccc2ccccc2c1 62a_100009813939_100011216711 [0,2,0,0,0,0|0,1,1]=4 16583 B18R2.9737 CCC#CCSCc1ccc2ccccc2c1 62a_100011216711_100009813939 [0,2,0,0,0,0|0,1,1]=4 16584 B18R2.9737 CCCCC=NNc1ccc2ccccc2c1 4a_100016987534_100000210104 [0,2,0,0,0,0|1,0,0]=3 16585 B18R2.9737 CCCCC=NNc1ccc2ccccc2n1 4a_100000212036_100000210104 [0,2,0,0,0,0|2,0,0]=4 16586 B18R2.9737 CCCCC=NNc1ccc2cccnc2c1 4a_200016991157_100000210104 [0,2,0,0,0,0|2,0,0]=4 16587 B18R2.9737 CCCCC=NNc1ccc2ncccc2c1 4a_100025741853_100000210104 [0,2,0,0,0,0|2,0,0]=4 16588 B18R2.9737 CCCCCC=Cc1cc2ccccc2cn1 271570a_100000062253_100000047361 [0,2,0,0,0,0|2,0,0]=4 16589 B18R2.9737 CCCCCC=Cc1ccc2ccccc2n1 271570a_100000062253_100011291633 [0,2,0,0,0,0|2,0,0]=4 16590 B18R2.9737 CCCCCC=Cc1ccc2cccnc2c1 271570a_100000062253_100009816655 [0,2,0,0,0,0|2,0,0]=4 16591 B18R2.9737 CCCCCC=Cc1ccc2ccncc2c1 271570a_100000062253_100000686496 [0,2,0,0,0,0|2,0,0]=4 16592 B18R2.9737 CCCCCC=Cc1ccc2cnccc2c1 271570a_100000062253_100009816743 [0,2,0,0,0,0|2,0,0]=4 16593 B18R2.9737 CCCCCC=Cc1ccc2ncccc2c1 271570a_100000062253_100000754243 [0,2,0,0,0,0|2,0,0]=4 16594 B18R2.9737 CCCCCC=Cc1cnc2ccccc2c1 271570a_100000062253_100000737414 [0,2,0,0,0,0|2,0,0]=4 16595 B18R2.9737 CCCCCCNc1ccc2ccccc2c1 34a_100000211940_100000210314 [0,2,0,0,0,0|1,0,0]=3 16596 B18R2.9737 CCCCCCNc1ccc2ccccc2c1 7a_100000211940_100000210314 [0,2,0,0,0,0|1,0,0]=3 16597 B18R2.9737 CCCCCCNc1ccc2ccccc2n1 27a_100000210581_100011291633 [0,2,0,0,0,0|2,0,0]=4 16598 B18R2.9737 CCCCCCNc1ccc2cccnc2c1 34a_100102887122_100000210314 [0,2,0,0,0,0|2,0,0]=4 16599 B18R2.9737 CCCCCCNc1ccc2cnccc2c1 34a_100000039641_100000210314 [0,2,0,0,0,0|2,0,0]=4 16600 B18R2.9737 CCCCCCNc1ccc2ncccc2c1 34a_100011198106_100000210314 [0,2,0,0,0,0|2,0,0]=4 16601 B18R2.9737 CCCCCCOc1ccc2ccccc2c1 34a_100000185828_100000210314 [0,2,0,0,0,0|0,0,0]=2 16602 B18R2.9737 CCCCCCOc1ccc2ccccc2c1 7a_100000185828_100000210314 [0,2,0,0,0,0|0,0,0]=2 16603 B18R2.9737 CCCCCCOc1ccc2cccnc2c1 34a_100011216045_100000210314 [0,2,0,0,0,0|1,0,0]=3 16604 B18R2.9737 CCCCCCOc1ccc2ccncc2c1 7a_100000752006_100000210314 [0,2,0,0,0,0|1,0,0]=3 16605 B18R2.9737 CCCCCCOc1ccc2cnccc2c1 34a_100000046372_100000210314 [0,2,0,0,0,0|1,0,0]=3 16606 B18R2.9737 CCCCCCOc1ccc2cnccc2c1 7a_100000046372_100000210314 [0,2,0,0,0,0|1,0,0]=3 16607 B18R2.9737 CCCCCCOc1ccc2ncccc2c1 34a_100011215586_100000210314 [0,2,0,0,0,0|1,0,0]=3 16608 B18R2.9737 CCCCCCOc1ccc2ncccc2c1 7a_100011215586_100000210314 [0,2,0,0,0,0|1,0,0]=3 16609 B18R2.9737 CCCCCCOc1ccc2nccnc2c1 34a_100000694412_100000210314 [0,2,0,0,0,0|2,0,0]=4 16610 B18R2.9737 CCCCCCOc1cnc2ccccc2c1 34a_100011934006_100000210314 [0,2,0,0,0,0|1,0,0]=3 16611 B18R2.9737 CCCCCCOc1cnc2ccccc2c1 7a_100011934006_100000210314 [0,2,0,0,0,0|1,0,0]=3 16612 B18R2.9737 CCCCCCSc1cc2ccccc2cn1 62a_100000210314_100000047361 [0,2,0,0,0,0|1,1,0]=4 16613 B18R2.9737 CCCCCCSc1cc2ccccc2cn1 62a_100009816522_100000210757 [0,2,0,0,0,0|1,1,0]=4 16614 B18R2.9737 CCCCCCSc1ccc2ccccc2n1 62a_100000210314_100011291633 [0,2,0,0,0,0|1,1,0]=4 16615 B18R2.9737 CCCCCCSc1ccc2ccccc2n1 62a_100011291633_100000210757 [0,2,0,0,0,0|1,1,0]=4 16616 B18R2.9737 CCCCCCSc1ccc2cccnc2c1 62a_100000210314_100009816655 [0,2,0,0,0,0|1,1,0]=4 16617 B18R2.9737 CCCCCCSc1ccc2ccncc2c1 62a_100000210314_100000686496 [0,2,0,0,0,0|1,1,0]=4 16618 B18R2.9737 CCCCCCSc1ccc2ccncc2c1 62a_100000686496_100000210757 [0,2,0,0,0,0|1,1,0]=4 16619 B18R2.9737 CCCCCCSc1ccc2cnccc2c1 62a_100000210314_100009816743 [0,2,0,0,0,0|1,1,0]=4 16620 B18R2.9737 CCCCCCSc1ccc2cnccc2c1 62a_100009816743_100000210757 [0,2,0,0,0,0|1,1,0]=4 16621 B18R2.9737 CCCCCCSc1ccc2ncccc2c1 62a_100000210314_100011215947 [0,2,0,0,0,0|1,1,0]=4 16622 B18R2.9737 CCCCCCSc1ccc2ncccc2c1 62a_100011215947_100000210757 [0,2,0,0,0,0|1,1,0]=4 16623 B18R2.9737 CCCCCCSc1cnc2ccccc2c1 62a_100000210314_100000737414 [0,2,0,0,0,0|1,1,0]=4 16624 B18R2.9737 CCCCCNCc1cc2ccccc2cn1 207a_100000209983_100000059776 [0,2,0,0,0,0|2,0,0]=4 16625 B18R2.9737 CCCCCNCc1cc2ccccc2cn1 2230a_100000209983_100009869231 [0,2,0,0,0,0|2,0,0]=4 16626 B18R2.9737 CCCCCNCc1cc2ccccc2cn1 270004a_100000209983_100000059776 [0,2,0,0,0,0|2,0,0]=4 16627 B18R2.9737 CCCCCNCc1ccc2ccccc2c1 207a_100000209983_100000211584 [0,2,0,0,0,0|1,0,0]=3 16628 B18R2.9737 CCCCCNCc1ccc2ccccc2c1 2230a_100000209983_100011216711 [0,2,0,0,0,0|1,0,0]=3 16629 B18R2.9737 CCCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210326 [0,2,0,0,0,0|1,0,0]=3 16630 B18R2.9737 CCCCCNCc1ccc2ccccc2c1 270004a_100000209983_100000211584 [0,2,0,0,0,0|1,0,0]=3 16631 B18R2.9737 CCCCCNCc1ccc2ccccc2c1 34a_100000739491_100000718602 [0,2,0,0,0,0|1,0,0]=3 16632 B18R2.9737 CCCCCNCc1ccc2ccccc2n1 207a_100000209983_100000759686 [0,2,0,0,0,0|2,0,0]=4 16633 B18R2.9737 CCCCCNCc1ccc2ccccc2n1 2230a_100000209983_100000737579 [0,2,0,0,0,0|2,0,0]=4 16634 B18R2.9737 CCCCCNCc1ccc2ccccc2n1 270004a_100000209983_100000759686 [0,2,0,0,0,0|2,0,0]=4 16635 B18R2.9737 CCCCCNCc1ccc2cccnc2c1 207a_100000209983_100011784159 [0,2,0,0,0,0|2,0,0]=4 16636 B18R2.9737 CCCCCNCc1ccc2cccnc2c1 270004a_100000209983_100011784159 [0,2,0,0,0,0|2,0,0]=4 16637 B18R2.9737 CCCCCNCc1ccc2cnccc2c1 207a_100000209983_100000068276 [0,2,0,0,0,0|2,0,0]=4 16638 B18R2.9737 CCCCCNCc1ccc2cnccc2c1 2230a_100000209983_100020605334 [0,2,0,0,0,0|2,0,0]=4 16639 B18R2.9737 CCCCCNCc1ccc2cnccc2c1 270004a_100000209983_100000068276 [0,2,0,0,0,0|2,0,0]=4 16640 B18R2.9737 CCCCCNCc1ccc2ncccc2c1 207a_100000209983_100000211315 [0,2,0,0,0,0|2,0,0]=4 16641 B18R2.9737 CCCCCNCc1ccc2ncccc2c1 2230a_100000209983_100000703657 [0,2,0,0,0,0|2,0,0]=4 16642 B18R2.9737 CCCCCNCc1ccc2ncccc2c1 270004a_100000209983_100000211315 [0,2,0,0,0,0|2,0,0]=4 16643 B18R2.9737 CCCCCNCc1ccc2ncccc2c1 34a_100000238500_100000718602 [0,2,0,0,0,0|2,0,0]=4 16644 B18R2.9737 CCCCCNCc1cnc2ccccc2c1 207a_100000209983_100000750898 [0,2,0,0,0,0|2,0,0]=4 16645 B18R2.9737 CCCCCNCc1cnc2ccccc2c1 270004a_100000209983_100000750898 [0,2,0,0,0,0|2,0,0]=4 16646 B18R2.9737 CCCCCNCc1cnc2ccccc2c1 34a_100000742225_100000718602 [0,2,0,0,0,0|2,0,0]=4 16647 B18R2.9737 CCCCCOCc1cc2ccccc2cn1 34a_100000210253_100009869231 [0,2,0,0,0,0|1,0,0]=3 16648 B18R2.9737 CCCCCOCc1cc2ccccc2cn1 7a_100000210253_100009869231 [0,2,0,0,0,0|1,0,0]=3 16649 B18R2.9737 CCCCCOCc1ccc2ccccc2c1 34a_100000210253_100011216711 [0,2,0,0,0,0|0,0,0]=2 16650 B18R2.9737 CCCCCOCc1ccc2ccccc2c1 34a_100011215330_100000718602 [0,2,0,0,0,0|0,0,0]=2 16651 B18R2.9737 CCCCCOCc1ccc2ccccc2c1 7a_100000210253_100011216711 [0,2,0,0,0,0|0,0,0]=2 16652 B18R2.9737 CCCCCOCc1ccc2ccccc2c1 7a_100011215330_100000210326 [0,2,0,0,0,0|0,0,0]=2 16653 B18R2.9737 CCCCCOCc1ccc2ccccc2n1 34a_100000210253_100000737579 [0,2,0,0,0,0|1,0,0]=3 16654 B18R2.9737 CCCCCOCc1ccc2ccccc2n1 7a_100000210253_100000737579 [0,2,0,0,0,0|1,0,0]=3 16655 B18R2.9737 CCCCCOCc1ccc2cnccc2c1 34a_100000210253_100020605334 [0,2,0,0,0,0|1,0,0]=3 16656 B18R2.9737 CCCCCOCc1ccc2cnccc2c1 7a_100000210253_100020605334 [0,2,0,0,0,0|1,0,0]=3 16657 B18R2.9737 CCCCCOCc1ccc2ncccc2c1 34a_100000210253_100000703657 [0,2,0,0,0,0|1,0,0]=3 16658 B18R2.9737 CCCCCOCc1ccc2ncccc2c1 34a_100011315636_100000718602 [0,2,0,0,0,0|1,0,0]=3 16659 B18R2.9737 CCCCCOCc1ccc2ncccc2c1 7a_100000210253_100000703657 [0,2,0,0,0,0|1,0,0]=3 16660 B18R2.9737 CCCCCOCc1ccc2nccnc2c1 7a_100000210253_200011762199 [0,2,0,0,0,0|2,0,0]=4 16661 B18R2.9737 CCCCCOCc1cnc2ccccc2c1 34a_100011258773_100000718602 [0,2,0,0,0,0|1,0,0]=3 16662 B18R2.9737 CCCCCOCc1cnc2ccccc2n1 7a_100000210253_200000751123 [0,2,0,0,0,0|2,0,0]=4 16663 B18R2.9737 CCCCCOCc1ncc2ccccc2n1 34a_100000210253_100009868571 [0,2,0,0,0,0|2,0,0]=4 16664 B18R2.9737 CCCCCOCc1ncc2ccccc2n1 7a_100000210253_100009868571 [0,2,0,0,0,0|2,0,0]=4 16665 B18R2.9737 CCCCCSCc1cc2ccccc2cn1 62a_100000210326_100009869231 [0,2,0,0,0,0|1,1,0]=4 16666 B18R2.9737 CCCCCSCc1cc2ccccc2cn1 62a_100009869231_100000210326 [0,2,0,0,0,0|1,1,0]=4 16667 B18R2.9737 CCCCCSCc1ccc2ccccc2n1 62a_100000210326_100000737579 [0,2,0,0,0,0|1,1,0]=4 16668 B18R2.9737 CCCCCSCc1ccc2ccccc2n1 62a_100000737579_100000210326 [0,2,0,0,0,0|1,1,0]=4 16669 B18R2.9737 CCCCCSCc1ccc2cnccc2c1 62a_100000210326_100020605334 [0,2,0,0,0,0|1,1,0]=4 16670 B18R2.9737 CCCCCSCc1ccc2cnccc2c1 62a_100020605334_100000210326 [0,2,0,0,0,0|1,1,0]=4 16671 B18R2.9737 CCCCCSCc1ccc2ncccc2c1 62a_100000210326_100000703657 [0,2,0,0,0,0|1,1,0]=4 16672 B18R2.9737 CCCCCSCc1ccc2ncccc2c1 62a_100000703657_100000210326 [0,2,0,0,0,0|1,1,0]=4 16673 B18R2.9737 CCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210211 [0,2,0,0,0,0|1,0,0]=3 16674 B18R2.9737 CCCCNCCc1ccc2ccccc2c1 34a_100000746582_100000210210 [0,2,0,0,0,0|1,0,0]=3 16675 B18R2.9737 CCCCNN=Cc1cc2ccccc2cn1 4a_100025702795_100000059776 [0,2,0,0,0,0|2,0,0]=4 16676 B18R2.9737 CCCCNN=Cc1ccc2ccccc2c1 4a_100025702795_100000211584 [0,2,0,0,0,0|1,0,0]=3 16677 B18R2.9737 CCCCNN=Cc1ccc2ccccc2n1 4a_100025702795_100000759686 [0,2,0,0,0,0|2,0,0]=4 16678 B18R2.9737 CCCCNN=Cc1ccc2cccnc2c1 4a_100025702795_100011784159 [0,2,0,0,0,0|2,0,0]=4 16679 B18R2.9737 CCCCNN=Cc1ccc2cnccc2c1 4a_100025702795_100000068276 [0,2,0,0,0,0|2,0,0]=4 16680 B18R2.9737 CCCCNN=Cc1ccc2ncccc2c1 4a_100025702795_100000211315 [0,2,0,0,0,0|2,0,0]=4 16681 B18R2.9737 CCCCNN=Cc1cnc2ccccc2c1 4a_100025702795_100000750898 [0,2,0,0,0,0|2,0,0]=4 16682 B18R2.9737 CCCCOCCc1ccc2ccccc2c1 34a_100000755654_100000210210 [0,2,0,0,0,0|0,0,0]=2 16683 B18R2.9737 CCCCOCCc1ccc2ccccc2c1 7a_100000755654_100000210211 [0,2,0,0,0,0|0,0,0]=2 16684 B18R2.9737 CCCCOCCc1ccc2ccccc2n1 34a_100011996444_100000210210 [0,2,0,0,0,0|1,0,0]=3 16685 B18R2.9737 CCCCOCNc1ccc2ccccc2c1 34a_100000211940_100011995733 [0,2,0,0,0,0|0,0,0]=2 16686 B18R2.9737 CCCCOCNc1ccc2cccnc2c1 34a_100102887122_100011995733 [0,2,0,0,0,0|1,0,0]=3 16687 B18R2.9737 CCCCOCNc1ccc2cnccc2c1 34a_100000039641_100011995733 [0,2,0,0,0,0|1,0,0]=3 16688 B18R2.9737 CCCCOCNc1ccc2ncccc2c1 34a_100011198106_100011995733 [0,2,0,0,0,0|1,0,0]=3 16689 B18R2.9737 CCCCOCNc1ccc2nccnc2c1 34a_100011219565_100011995733 [0,2,0,0,0,0|2,0,0]=4 16690 B18R2.9737 CCCCOCOc1ccc2ccccc2c1 34a_100000185828_100011995733 [0,2,0,0,0,0|0,0,0]=2 16691 B18R2.9737 CCCCOCOc1ccc2cccnc2c1 34a_100011216045_100011995733 [0,2,0,0,0,0|1,0,0]=3 16692 B18R2.9737 CCCCOCOc1ccc2cnccc2c1 34a_100000046372_100011995733 [0,2,0,0,0,0|1,0,0]=3 16693 B18R2.9737 CCCCOCOc1ccc2ncccc2c1 34a_100011215586_100011995733 [0,2,0,0,0,0|1,0,0]=3 16694 B18R2.9737 CCCCOCOc1ccc2nccnc2c1 34a_100000694412_100011995733 [0,2,0,0,0,0|2,0,0]=4 16695 B18R2.9737 CCCCOCOc1cnc2ccccc2c1 34a_100011934006_100011995733 [0,2,0,0,0,0|1,0,0]=3 16696 B18R2.9737 CCCCOCSc1cc2ccccc2cn1 62a_100009816522_100011995733 [0,2,0,0,0,0|1,0,0]=3 16697 B18R2.9737 CCCCOCSc1cc2ccccc2cn1 62a_100011995733_100000047361 [0,2,0,0,0,0|1,0,0]=3 16698 B18R2.9737 CCCCOCSc1ccc2ccccc2c1 62a_100011995733_100000233703 [0,2,0,0,0,0|0,0,0]=2 16699 B18R2.9737 CCCCOCSc1ccc2ccccc2n1 62a_100011291633_100011995733 [0,2,0,0,0,0|1,0,0]=3 16700 B18R2.9737 CCCCOCSc1ccc2ccccc2n1 62a_100011995733_100011291633 [0,2,0,0,0,0|1,0,0]=3 16701 B18R2.9737 CCCCOCSc1ccc2cccnc2c1 62a_100011995733_100009816655 [0,2,0,0,0,0|1,0,0]=3 16702 B18R2.9737 CCCCOCSc1ccc2cccnc2n1 62a_100000075685_100011995733 [0,2,0,0,0,0|2,0,0]=4 16703 B18R2.9737 CCCCOCSc1ccc2cccnc2n1 62a_100011995733_100000075685 [0,2,0,0,0,0|2,0,0]=4 16704 B18R2.9737 CCCCOCSc1ccc2ccncc2c1 62a_100000686496_100011995733 [0,2,0,0,0,0|1,0,0]=3 16705 B18R2.9737 CCCCOCSc1ccc2ccncc2c1 62a_100011995733_100000686496 [0,2,0,0,0,0|1,0,0]=3 16706 B18R2.9737 CCCCOCSc1ccc2ccncc2n1 62a_100011995733_100000020162 [0,2,0,0,0,0|2,0,0]=4 16707 B18R2.9737 CCCCOCSc1ccc2cnccc2c1 62a_100009816743_100011995733 [0,2,0,0,0,0|1,0,0]=3 16708 B18R2.9737 CCCCOCSc1ccc2cnccc2c1 62a_100011995733_100009816743 [0,2,0,0,0,0|1,0,0]=3 16709 B18R2.9737 CCCCOCSc1ccc2cncnc2c1 62a_100010185614_100011995733 [0,2,0,0,0,0|2,0,0]=4 16710 B18R2.9737 CCCCOCSc1ccc2cncnc2c1 62a_100011995733_100010185614 [0,2,0,0,0,0|2,0,0]=4 16711 B18R2.9737 CCCCOCSc1ccc2cnncc2c1 62a_100010198781_100011995733 [0,2,0,0,0,0|2,0,0]=4 16712 B18R2.9737 CCCCOCSc1ccc2cnncc2c1 62a_100011995733_100010198781 [0,2,0,0,0,0|2,0,0]=4 16713 B18R2.9737 CCCCOCSc1ccc2ncccc2c1 62a_100011215947_100011995733 [0,2,0,0,0,0|1,0,0]=3 16714 B18R2.9737 CCCCOCSc1ccc2ncccc2c1 62a_100011995733_100011215947 [0,2,0,0,0,0|1,0,0]=3 16715 B18R2.9737 CCCCOCSc1ccc2ncccc2n1 62a_100011995733_100000073381 [0,2,0,0,0,0|2,0,0]=4 16716 B18R2.9737 CCCCOCSc1ccc2nccnc2c1 62a_100011219451_100011995733 [0,2,0,0,0,0|2,0,0]=4 16717 B18R2.9737 CCCCOCSc1ccc2nccnc2c1 62a_100011995733_100011219451 [0,2,0,0,0,0|2,0,0]=4 16718 B18R2.9737 CCCCOCSc1ccc2ncncc2c1 62a_100009989443_100011995733 [0,2,0,0,0,0|2,0,0]=4 16719 B18R2.9737 CCCCOCSc1ccc2ncncc2c1 62a_100011995733_100009989443 [0,2,0,0,0,0|2,0,0]=4 16720 B18R2.9737 CCCCOCSc1ccc2nnccc2c1 62a_100010209549_100011995733 [0,2,0,0,0,0|2,0,0]=4 16721 B18R2.9737 CCCCOCSc1ccc2nnccc2c1 62a_100011995733_100010209549 [0,2,0,0,0,0|2,0,0]=4 16722 B18R2.9737 CCCCOCSc1cnc2ccccc2c1 62a_100011995733_100000737414 [0,2,0,0,0,0|1,0,0]=3 16723 B18R2.9737 CCCCOCSc1cnc2ccccc2n1 62a_100000756483_100011995733 [0,2,0,0,0,0|2,0,0]=4 16724 B18R2.9737 CCCCOCSc1cnc2ccccc2n1 62a_100011995733_100000756483 [0,2,0,0,0,0|2,0,0]=4 16725 B18R2.9737 CCCCOCSc1cnc2cccnc2c1 62a_100010246316_100011995733 [0,2,0,0,0,0|2,0,0]=4 16726 B18R2.9737 CCCCOCSc1cnc2cccnc2c1 62a_100011995733_100010246316 [0,2,0,0,0,0|2,0,0]=4 16727 B18R2.9737 CCCCOCSc1ncc2ccccc2n1 62a_100011995733_100000097389 [0,2,0,0,0,0|2,0,0]=4 16728 B18R2.9737 CCCOCCNc1ccc2ccccc2c1 34a_100000211940_100011215938 [0,2,0,0,0,0|1,0,0]=3 16729 B18R2.9737 CCCOCCNc1ccc2ccccc2c1 7a_100000211940_100011215938 [0,2,0,0,0,0|1,0,0]=3 16730 B18R2.9737 CCCOCCNc1ccc2ccccc2n1 27a_100161115042_100011291633 [0,2,0,0,0,0|2,0,0]=4 16731 B18R2.9737 CCCOCCNc1ccc2cccnc2c1 34a_100102887122_100011215938 [0,2,0,0,0,0|2,0,0]=4 16732 B18R2.9737 CCCOCCNc1ccc2cnccc2c1 34a_100000039641_100011215938 [0,2,0,0,0,0|2,0,0]=4 16733 B18R2.9737 CCCOCCNc1ccc2ncccc2c1 34a_100011198106_100011215938 [0,2,0,0,0,0|2,0,0]=4 16734 B18R2.9737 CCCOCCOc1ccc2ccccc2c1 34a_100000185828_100011215938 [0,2,0,0,0,0|0,0,0]=2 16735 B18R2.9737 CCCOCCOc1ccc2ccccc2c1 34a_200011219602_100000210303 [0,2,0,0,0,0|0,0,0]=2 16736 B18R2.9737 CCCOCCOc1ccc2ccccc2c1 7a_100000185828_100011215938 [0,2,0,0,0,0|0,0,0]=2 16737 B18R2.9737 CCCOCCOc1ccc2ccccc2c1 7a_200011219602_100000210303 [0,2,0,0,0,0|0,0,0]=2 16738 B18R2.9737 CCCOCCOc1ccc2cccnc2c1 34a_100011216045_100011215938 [0,2,0,0,0,0|1,0,0]=3 16739 B18R2.9737 CCCOCCOc1ccc2ccncc2c1 7a_100000752006_100011215938 [0,2,0,0,0,0|1,0,0]=3 16740 B18R2.9737 CCCOCCOc1ccc2cnccc2c1 34a_100000046372_100011215938 [0,2,0,0,0,0|1,0,0]=3 16741 B18R2.9737 CCCOCCOc1ccc2cnccc2c1 7a_100000046372_100011215938 [0,2,0,0,0,0|1,0,0]=3 16742 B18R2.9737 CCCOCCOc1ccc2ncccc2c1 34a_100011215586_100011215938 [0,2,0,0,0,0|1,0,0]=3 16743 B18R2.9737 CCCOCCOc1ccc2ncccc2c1 7a_100011215586_100011215938 [0,2,0,0,0,0|1,0,0]=3 16744 B18R2.9737 CCCOCCOc1ccc2nccnc2c1 34a_100000694412_100011215938 [0,2,0,0,0,0|2,0,0]=4 16745 B18R2.9737 CCCOCCOc1cnc2ccccc2c1 34a_100011934006_100011215938 [0,2,0,0,0,0|1,0,0]=3 16746 B18R2.9737 CCCOCCOc1cnc2ccccc2c1 7a_100011934006_100011215938 [0,2,0,0,0,0|1,0,0]=3 16747 B18R2.9737 CCCOCCSc1cc2ccccc2cn1 62a_100009816522_100011215938 [0,2,0,0,0,0|1,1,0]=4 16748 B18R2.9737 CCCOCCSc1cc2ccccc2cn1 62a_100011215938_100000047361 [0,2,0,0,0,0|1,1,0]=4 16749 B18R2.9737 CCCOCCSc1ccc2ccccc2c1 62a_100011215938_100000233703 [0,2,0,0,0,0|0,1,0]=3 16750 B18R2.9737 CCCOCCSc1ccc2ccccc2n1 62a_100011215938_100011291633 [0,2,0,0,0,0|1,1,0]=4 16751 B18R2.9737 CCCOCCSc1ccc2ccccc2n1 62a_100011291633_100011215938 [0,2,0,0,0,0|1,1,0]=4 16752 B18R2.9737 CCCOCCSc1ccc2cccnc2c1 62a_100011215938_100009816655 [0,2,0,0,0,0|1,1,0]=4 16753 B18R2.9737 CCCOCCSc1ccc2ccncc2c1 62a_100000686496_100011215938 [0,2,0,0,0,0|1,1,0]=4 16754 B18R2.9737 CCCOCCSc1ccc2ccncc2c1 62a_100011215938_100000686496 [0,2,0,0,0,0|1,1,0]=4 16755 B18R2.9737 CCCOCCSc1ccc2cnccc2c1 62a_100009816743_100011215938 [0,2,0,0,0,0|1,1,0]=4 16756 B18R2.9737 CCCOCCSc1ccc2cnccc2c1 62a_100011215938_100009816743 [0,2,0,0,0,0|1,1,0]=4 16757 B18R2.9737 CCCOCCSc1ccc2ncccc2c1 62a_100011215938_100011215947 [0,2,0,0,0,0|1,1,0]=4 16758 B18R2.9737 CCCOCCSc1ccc2ncccc2c1 62a_100011215947_100011215938 [0,2,0,0,0,0|1,1,0]=4 16759 B18R2.9737 CCCOCCSc1cnc2ccccc2c1 62a_100011215938_100000737414 [0,2,0,0,0,0|1,1,0]=4 16760 B18R2.9737 CCCSCCNc1ccc2ccccc2n1 27a_100020603323_100011291633 [0,2,0,0,0,0|2,0,0]=4 16761 B18R2.9737 CCNCCCOc1ccc2ccccc2c1 2230a_100015525214_100000750887 [0,2,0,0,0,0|0,0,0]=2 16762 B18R2.9737 CCOCCCNc1ccc2ccccc2c1 34a_100000211940_100012232248 [0,2,0,0,0,0|1,0,0]=3 16763 B18R2.9737 CCOCCCNc1ccc2ccccc2c1 7a_100000211940_100012232248 [0,2,0,0,0,0|1,0,0]=3 16764 B18R2.9737 CCOCCCNc1ccc2ccccc2n1 27a_100000210961_100011291633 [0,2,0,0,0,0|2,0,0]=4 16765 B18R2.9737 CCOCCCNc1ccc2cccnc2c1 34a_100102887122_100012232248 [0,2,0,0,0,0|2,0,0]=4 16766 B18R2.9737 CCOCCCNc1ccc2cnccc2c1 34a_100000039641_100012232248 [0,2,0,0,0,0|2,0,0]=4 16767 B18R2.9737 CCOCCCNc1ccc2ncccc2c1 34a_100011198106_100012232248 [0,2,0,0,0,0|2,0,0]=4 16768 B18R2.9737 CCOCCCOc1ccc2ccccc2c1 34a_100000185828_100012232248 [0,2,0,0,0,0|0,0,0]=2 16769 B18R2.9737 CCOCCCOc1ccc2ccccc2c1 34a_100121572206_100000750887 [0,2,0,0,0,0|0,0,0]=2 16770 B18R2.9737 CCOCCCOc1ccc2ccccc2c1 7a_100000185828_100012232248 [0,2,0,0,0,0|0,0,0]=2 16771 B18R2.9737 CCOCCCOc1ccc2cccnc2c1 34a_100011216045_100012232248 [0,2,0,0,0,0|1,0,0]=3 16772 B18R2.9737 CCOCCCOc1ccc2ccncc2c1 7a_100000752006_100012232248 [0,2,0,0,0,0|1,0,0]=3 16773 B18R2.9737 CCOCCCOc1ccc2cnccc2c1 34a_100000046372_100012232248 [0,2,0,0,0,0|1,0,0]=3 16774 B18R2.9737 CCOCCCOc1ccc2cnccc2c1 7a_100000046372_100012232248 [0,2,0,0,0,0|1,0,0]=3 16775 B18R2.9737 CCOCCCOc1ccc2ncccc2c1 34a_100011215586_100012232248 [0,2,0,0,0,0|1,0,0]=3 16776 B18R2.9737 CCOCCCOc1ccc2ncccc2c1 7a_100011215586_100012232248 [0,2,0,0,0,0|1,0,0]=3 16777 B18R2.9737 CCOCCCOc1ccc2nccnc2c1 34a_100000694412_100012232248 [0,2,0,0,0,0|2,0,0]=4 16778 B18R2.9737 CCOCCCOc1cnc2ccccc2c1 34a_100011934006_100012232248 [0,2,0,0,0,0|1,0,0]=3 16779 B18R2.9737 CCOCCCOc1cnc2ccccc2c1 7a_100011934006_100012232248 [0,2,0,0,0,0|1,0,0]=3 16780 B18R2.9737 CCOCCCSc1cc2ccccc2cn1 62a_100009816522_100012232248 [0,2,0,0,0,0|1,1,0]=4 16781 B18R2.9737 CCOCCCSc1cc2ccccc2cn1 62a_100012232248_100000047361 [0,2,0,0,0,0|1,1,0]=4 16782 B18R2.9737 CCOCCCSc1ccc2ccccc2c1 62a_100012232248_100000233703 [0,2,0,0,0,0|0,1,0]=3 16783 B18R2.9737 CCOCCCSc1ccc2ccccc2n1 62a_100011291633_100012232248 [0,2,0,0,0,0|1,1,0]=4 16784 B18R2.9737 CCOCCCSc1ccc2ccccc2n1 62a_100012232248_100011291633 [0,2,0,0,0,0|1,1,0]=4 16785 B18R2.9737 CCOCCCSc1ccc2cccnc2c1 62a_100012232248_100009816655 [0,2,0,0,0,0|1,1,0]=4 16786 B18R2.9737 CCOCCCSc1ccc2ccncc2c1 62a_100000686496_100012232248 [0,2,0,0,0,0|1,1,0]=4 16787 B18R2.9737 CCOCCCSc1ccc2ccncc2c1 62a_100012232248_100000686496 [0,2,0,0,0,0|1,1,0]=4 16788 B18R2.9737 CCOCCCSc1ccc2cnccc2c1 62a_100009816743_100012232248 [0,2,0,0,0,0|1,1,0]=4 16789 B18R2.9737 CCOCCCSc1ccc2cnccc2c1 62a_100012232248_100009816743 [0,2,0,0,0,0|1,1,0]=4 16790 B18R2.9737 CCOCCCSc1ccc2ncccc2c1 62a_100011215947_100012232248 [0,2,0,0,0,0|1,1,0]=4 16791 B18R2.9737 CCOCCCSc1ccc2ncccc2c1 62a_100012232248_100011215947 [0,2,0,0,0,0|1,1,0]=4 16792 B18R2.9737 CCOCCCSc1cnc2ccccc2c1 62a_100012232248_100000737414 [0,2,0,0,0,0|1,1,0]=4 16793 B18R2.9737 CCOCCNCc1cc2ccccc2cn1 207a_100011200944_100000059776 [0,2,0,0,0,0|2,0,0]=4 16794 B18R2.9737 CCOCCNCc1cc2ccccc2cn1 2230a_102516460346_100009869231 [0,2,0,0,0,0|2,0,0]=4 16795 B18R2.9737 CCOCCNCc1cc2ccccc2cn1 270004a_102516460346_100000059776 [0,2,0,0,0,0|2,0,0]=4 16796 B18R2.9737 CCOCCNCc1cc2ccccc2cn1 34a_102516460346_100009869231 [0,2,0,0,0,0|2,0,0]=4 16797 B18R2.9737 CCOCCNCc1ccc2ccccc2c1 207a_100011200944_100000211584 [0,2,0,0,0,0|1,0,0]=3 16798 B18R2.9737 CCOCCNCc1ccc2ccccc2c1 2230a_100000739491_100011215890 [0,2,0,0,0,0|1,0,0]=3 16799 B18R2.9737 CCOCCNCc1ccc2ccccc2c1 2230a_102516460346_100011216711 [0,2,0,0,0,0|1,0,0]=3 16800 B18R2.9737 CCOCCNCc1ccc2ccccc2c1 270004a_102516460346_100000211584 [0,2,0,0,0,0|1,0,0]=3 16801 B18R2.9737 CCOCCNCc1ccc2ccccc2c1 34a_100000739491_100000210147 [0,2,0,0,0,0|1,0,0]=3 16802 B18R2.9737 CCOCCNCc1ccc2ccccc2c1 34a_102516460346_100011216711 [0,2,0,0,0,0|1,0,0]=3 16803 B18R2.9737 CCOCCNCc1ccc2ccccc2n1 207a_100011200944_100000759686 [0,2,0,0,0,0|2,0,0]=4 16804 B18R2.9737 CCOCCNCc1ccc2ccccc2n1 2230a_102516460346_100000737579 [0,2,0,0,0,0|2,0,0]=4 16805 B18R2.9737 CCOCCNCc1ccc2ccccc2n1 270004a_102516460346_100000759686 [0,2,0,0,0,0|2,0,0]=4 16806 B18R2.9737 CCOCCNCc1ccc2ccccc2n1 34a_102516460346_100000737579 [0,2,0,0,0,0|2,0,0]=4 16807 B18R2.9737 CCOCCNCc1ccc2cccnc2c1 207a_100011200944_100011784159 [0,2,0,0,0,0|2,0,0]=4 16808 B18R2.9737 CCOCCNCc1ccc2cccnc2c1 270004a_102516460346_100011784159 [0,2,0,0,0,0|2,0,0]=4 16809 B18R2.9737 CCOCCNCc1ccc2cnccc2c1 207a_100011200944_100000068276 [0,2,0,0,0,0|2,0,0]=4 16810 B18R2.9737 CCOCCNCc1ccc2cnccc2c1 2230a_102516460346_100020605334 [0,2,0,0,0,0|2,0,0]=4 16811 B18R2.9737 CCOCCNCc1ccc2cnccc2c1 270004a_102516460346_100000068276 [0,2,0,0,0,0|2,0,0]=4 16812 B18R2.9737 CCOCCNCc1ccc2cnccc2c1 34a_102516460346_100020605334 [0,2,0,0,0,0|2,0,0]=4 16813 B18R2.9737 CCOCCNCc1ccc2ncccc2c1 207a_100011200944_100000211315 [0,2,0,0,0,0|2,0,0]=4 16814 B18R2.9737 CCOCCNCc1ccc2ncccc2c1 2230a_102516460346_100000703657 [0,2,0,0,0,0|2,0,0]=4 16815 B18R2.9737 CCOCCNCc1ccc2ncccc2c1 270004a_102516460346_100000211315 [0,2,0,0,0,0|2,0,0]=4 16816 B18R2.9737 CCOCCNCc1ccc2ncccc2c1 34a_100000238500_100000210147 [0,2,0,0,0,0|2,0,0]=4 16817 B18R2.9737 CCOCCNCc1ccc2ncccc2c1 34a_102516460346_100000703657 [0,2,0,0,0,0|2,0,0]=4 16818 B18R2.9737 CCOCCNCc1cnc2ccccc2c1 207a_100011200944_100000750898 [0,2,0,0,0,0|2,0,0]=4 16819 B18R2.9737 CCOCCNCc1cnc2ccccc2c1 270004a_102516460346_100000750898 [0,2,0,0,0,0|2,0,0]=4 16820 B18R2.9737 CCOCCNCc1cnc2ccccc2c1 34a_100000742225_100000210147 [0,2,0,0,0,0|2,0,0]=4 16821 B18R2.9737 CCOCCOCc1cc2ccccc2cn1 34a_100000210136_100009869231 [0,2,0,0,0,0|1,0,0]=3 16822 B18R2.9737 CCOCCOCc1cc2ccccc2cn1 7a_100000210136_100009869231 [0,2,0,0,0,0|1,0,0]=3 16823 B18R2.9737 CCOCCOCc1ccc2ccccc2c1 34a_100000210136_100011216711 [0,2,0,0,0,0|0,0,0]=2 16824 B18R2.9737 CCOCCOCc1ccc2ccccc2c1 34a_100011215330_100000210147 [0,2,0,0,0,0|0,0,0]=2 16825 B18R2.9737 CCOCCOCc1ccc2ccccc2c1 7a_100000210136_100011216711 [0,2,0,0,0,0|0,0,0]=2 16826 B18R2.9737 CCOCCOCc1ccc2ccccc2c1 7a_100011215330_100011215890 [0,2,0,0,0,0|0,0,0]=2 16827 B18R2.9737 CCOCCOCc1ccc2ccccc2n1 34a_100000210136_100000737579 [0,2,0,0,0,0|1,0,0]=3 16828 B18R2.9737 CCOCCOCc1ccc2ccccc2n1 7a_100000210136_100000737579 [0,2,0,0,0,0|1,0,0]=3 16829 B18R2.9737 CCOCCOCc1ccc2cnccc2c1 34a_100000210136_100020605334 [0,2,0,0,0,0|1,0,0]=3 16830 B18R2.9737 CCOCCOCc1ccc2cnccc2c1 7a_100000210136_100020605334 [0,2,0,0,0,0|1,0,0]=3 16831 B18R2.9737 CCOCCOCc1ccc2ncccc2c1 34a_100000210136_100000703657 [0,2,0,0,0,0|1,0,0]=3 16832 B18R2.9737 CCOCCOCc1ccc2ncccc2c1 34a_100011315636_100000210147 [0,2,0,0,0,0|1,0,0]=3 16833 B18R2.9737 CCOCCOCc1ccc2ncccc2c1 7a_100000210136_100000703657 [0,2,0,0,0,0|1,0,0]=3 16834 B18R2.9737 CCOCCOCc1ccc2nccnc2c1 7a_100000210136_200011762199 [0,2,0,0,0,0|2,0,0]=4 16835 B18R2.9737 CCOCCOCc1cnc2ccccc2c1 34a_100011258773_100000210147 [0,2,0,0,0,0|1,0,0]=3 16836 B18R2.9737 CCOCCOCc1cnc2ccccc2n1 7a_100000210136_200000751123 [0,2,0,0,0,0|2,0,0]=4 16837 B18R2.9737 CCOCCOCc1ncc2ccccc2n1 34a_100000210136_100009868571 [0,2,0,0,0,0|2,0,0]=4 16838 B18R2.9737 CCOCCOCc1ncc2ccccc2n1 7a_100000210136_100009868571 [0,2,0,0,0,0|2,0,0]=4 16839 B18R2.9737 CCOCCSCc1cc2ccccc2cn1 62a_100000210147_100009869231 [0,2,0,0,0,0|1,1,0]=4 16840 B18R2.9737 CCOCCSCc1cc2ccccc2cn1 62a_100009869231_100011215890 [0,2,0,0,0,0|1,1,0]=4 16841 B18R2.9737 CCOCCSCc1ccc2ccccc2c1 62a_100000210147_100011216711 [0,2,0,0,0,0|0,1,0]=3 16842 B18R2.9737 CCOCCSCc1ccc2ccccc2c1 62a_100011216711_100011215890 [0,2,0,0,0,0|0,1,0]=3 16843 B18R2.9737 CCOCCSCc1ccc2ccccc2n1 62a_100000210147_100000737579 [0,2,0,0,0,0|1,1,0]=4 16844 B18R2.9737 CCOCCSCc1ccc2ccccc2n1 62a_100000737579_100011215890 [0,2,0,0,0,0|1,1,0]=4 16845 B18R2.9737 CCOCCSCc1ccc2cnccc2c1 62a_100000210147_100020605334 [0,2,0,0,0,0|1,1,0]=4 16846 B18R2.9737 CCOCCSCc1ccc2cnccc2c1 62a_100020605334_100011215890 [0,2,0,0,0,0|1,1,0]=4 16847 B18R2.9737 CCOCCSCc1ccc2ncccc2c1 62a_100000210147_100000703657 [0,2,0,0,0,0|1,1,0]=4 16848 B18R2.9737 CCOCCSCc1ccc2ncccc2c1 62a_100000703657_100011215890 [0,2,0,0,0,0|1,1,0]=4 16849 B18R2.9737 CCSCCCOc1ccc2ccccc2c1 62a_100000210202_100000750887 [0,2,0,0,0,0|0,0,0]=2 16850 B18R2.9737 CCSCCCOc1ccc2ccccc2c1 62a_100000750887_100000210202 [0,2,0,0,0,0|0,0,0]=2 16851 B18R2.9737 CCSCCNCc1cc2ccccc2cn1 207a_100000106463_100000059776 [0,2,0,0,0,0|2,0,0]=4 16852 B18R2.9737 CCSCCNCc1cc2ccccc2cn1 2230a_100000106463_100009869231 [0,2,0,0,0,0|2,0,0]=4 16853 B18R2.9737 CCSCCNCc1cc2ccccc2cn1 270004a_100000106463_100000059776 [0,2,0,0,0,0|2,0,0]=4 16854 B18R2.9737 CCSCCNCc1ccc2ccccc2c1 207a_100000106463_100000211584 [0,2,0,0,0,0|1,0,0]=3 16855 B18R2.9737 CCSCCNCc1ccc2ccccc2c1 2230a_100000106463_100011216711 [0,2,0,0,0,0|1,0,0]=3 16856 B18R2.9737 CCSCCNCc1ccc2ccccc2c1 2230a_100000739491_100000757381 [0,2,0,0,0,0|1,0,0]=3 16857 B18R2.9737 CCSCCNCc1ccc2ccccc2c1 270004a_100000106463_100000211584 [0,2,0,0,0,0|1,0,0]=3 16858 B18R2.9737 CCSCCNCc1ccc2ccccc2c1 34a_100000739491_100000757381 [0,2,0,0,0,0|1,0,0]=3 16859 B18R2.9737 CCSCCNCc1ccc2ccccc2n1 207a_100000106463_100000759686 [0,2,0,0,0,0|2,0,0]=4 16860 B18R2.9737 CCSCCNCc1ccc2ccccc2n1 2230a_100000106463_100000737579 [0,2,0,0,0,0|2,0,0]=4 16861 B18R2.9737 CCSCCNCc1ccc2ccccc2n1 270004a_100000106463_100000759686 [0,2,0,0,0,0|2,0,0]=4 16862 B18R2.9737 CCSCCNCc1ccc2cccnc2c1 207a_100000106463_100011784159 [0,2,0,0,0,0|2,0,0]=4 16863 B18R2.9737 CCSCCNCc1ccc2cccnc2c1 270004a_100000106463_100011784159 [0,2,0,0,0,0|2,0,0]=4 16864 B18R2.9737 CCSCCNCc1ccc2cnccc2c1 207a_100000106463_100000068276 [0,2,0,0,0,0|2,0,0]=4 16865 B18R2.9737 CCSCCNCc1ccc2cnccc2c1 2230a_100000106463_100020605334 [0,2,0,0,0,0|2,0,0]=4 16866 B18R2.9737 CCSCCNCc1ccc2cnccc2c1 270004a_100000106463_100000068276 [0,2,0,0,0,0|2,0,0]=4 16867 B18R2.9737 CCSCCNCc1ccc2ncccc2c1 207a_100000106463_100000211315 [0,2,0,0,0,0|2,0,0]=4 16868 B18R2.9737 CCSCCNCc1ccc2ncccc2c1 2230a_100000106463_100000703657 [0,2,0,0,0,0|2,0,0]=4 16869 B18R2.9737 CCSCCNCc1ccc2ncccc2c1 270004a_100000106463_100000211315 [0,2,0,0,0,0|2,0,0]=4 16870 B18R2.9737 CCSCCNCc1ccc2ncccc2c1 34a_100000238500_100000757381 [0,2,0,0,0,0|2,0,0]=4 16871 B18R2.9737 CCSCCNCc1cnc2ccccc2c1 207a_100000106463_100000750898 [0,2,0,0,0,0|2,0,0]=4 16872 B18R2.9737 CCSCCNCc1cnc2ccccc2c1 270004a_100000106463_100000750898 [0,2,0,0,0,0|2,0,0]=4 16873 B18R2.9737 CCSCCNCc1cnc2ccccc2c1 34a_100000742225_100000757381 [0,2,0,0,0,0|2,0,0]=4 16874 B18R2.9737 CCSCCOCc1cc2ccccc2cn1 34a_100000212035_100009869231 [0,2,0,0,0,0|1,0,0]=3 16875 B18R2.9737 CCSCCOCc1cc2ccccc2cn1 7a_100000212035_100009869231 [0,2,0,0,0,0|1,0,0]=3 16876 B18R2.9737 CCSCCOCc1ccc2ccccc2c1 34a_100000212035_100011216711 [0,2,0,0,0,0|0,0,0]=2 16877 B18R2.9737 CCSCCOCc1ccc2ccccc2c1 34a_100011215330_100000757381 [0,2,0,0,0,0|0,0,0]=2 16878 B18R2.9737 CCSCCOCc1ccc2ccccc2c1 7a_100000212035_100011216711 [0,2,0,0,0,0|0,0,0]=2 16879 B18R2.9737 CCSCCOCc1ccc2ccccc2c1 7a_100011215330_100000757381 [0,2,0,0,0,0|0,0,0]=2 16880 B18R2.9737 CCSCCOCc1ccc2ccccc2n1 34a_100000212035_100000737579 [0,2,0,0,0,0|1,0,0]=3 16881 B18R2.9737 CCSCCOCc1ccc2ccccc2n1 7a_100000212035_100000737579 [0,2,0,0,0,0|1,0,0]=3 16882 B18R2.9737 CCSCCOCc1ccc2cnccc2c1 34a_100000212035_100020605334 [0,2,0,0,0,0|1,0,0]=3 16883 B18R2.9737 CCSCCOCc1ccc2cnccc2c1 7a_100000212035_100020605334 [0,2,0,0,0,0|1,0,0]=3 16884 B18R2.9737 CCSCCOCc1ccc2ncccc2c1 34a_100000212035_100000703657 [0,2,0,0,0,0|1,0,0]=3 16885 B18R2.9737 CCSCCOCc1ccc2ncccc2c1 34a_100011315636_100000757381 [0,2,0,0,0,0|1,0,0]=3 16886 B18R2.9737 CCSCCOCc1ccc2ncccc2c1 7a_100000212035_100000703657 [0,2,0,0,0,0|1,0,0]=3 16887 B18R2.9737 CCSCCOCc1ccc2nccnc2c1 7a_100000212035_200011762199 [0,2,0,0,0,0|2,0,0]=4 16888 B18R2.9737 CCSCCOCc1cnc2ccccc2c1 34a_100011258773_100000757381 [0,2,0,0,0,0|1,0,0]=3 16889 B18R2.9737 CCSCCOCc1cnc2ccccc2n1 7a_100000212035_200000751123 [0,2,0,0,0,0|2,0,0]=4 16890 B18R2.9737 CCSCCOCc1ncc2ccccc2n1 34a_100000212035_100009868571 [0,2,0,0,0,0|2,0,0]=4 16891 B18R2.9737 CCSCCOCc1ncc2ccccc2n1 7a_100000212035_100009868571 [0,2,0,0,0,0|2,0,0]=4 16892 B18R2.9737 CCSCCSCc1cc2ccccc2cn1 62a_100000757381_100009869231 [0,2,0,0,0,0|1,1,0]=4 16893 B18R2.9737 CCSCCSCc1cc2ccccc2cn1 62a_100009869231_100000757381 [0,2,0,0,0,0|1,1,0]=4 16894 B18R2.9737 CCSCCSCc1ccc2ccccc2c1 62a_100000757381_100011216711 [0,2,0,0,0,0|0,1,0]=3 16895 B18R2.9737 CCSCCSCc1ccc2ccccc2c1 62a_100011216711_100000757381 [0,2,0,0,0,0|0,1,0]=3 16896 B18R2.9737 CCSCCSCc1ccc2ccccc2n1 62a_100000737579_100000757381 [0,2,0,0,0,0|1,1,0]=4 16897 B18R2.9737 CCSCCSCc1ccc2ccccc2n1 62a_100000757381_100000737579 [0,2,0,0,0,0|1,1,0]=4 16898 B18R2.9737 CCSCCSCc1ccc2cnccc2c1 62a_100000757381_100020605334 [0,2,0,0,0,0|1,1,0]=4 16899 B18R2.9737 CCSCCSCc1ccc2cnccc2c1 62a_100020605334_100000757381 [0,2,0,0,0,0|1,1,0]=4 16900 B18R2.9737 CCSCCSCc1ccc2ncccc2c1 62a_100000703657_100000757381 [0,2,0,0,0,0|1,1,0]=4 16901 B18R2.9737 CCSCCSCc1ccc2ncccc2c1 62a_100000757381_100000703657 [0,2,0,0,0,0|1,1,0]=4 16902 B18R2.9737 CNCCCOCc1cc2ccccc2cn1 34a_100000213112_100009869231 [0,2,0,0,0,0|1,0,0]=3 16903 B18R2.9737 CNCCCOCc1ccc2ccccc2c1 34a_100000213112_100011216711 [0,2,0,0,0,0|0,0,0]=2 16904 B18R2.9737 CNCCCOCc1ccc2ccccc2n1 34a_100000213112_100000737579 [0,2,0,0,0,0|1,0,0]=3 16905 B18R2.9737 CNCCCOCc1ccc2cnccc2c1 34a_100000213112_100020605334 [0,2,0,0,0,0|1,0,0]=3 16906 B18R2.9737 CNCCCOCc1ccc2ncccc2c1 34a_100000213112_100000703657 [0,2,0,0,0,0|1,0,0]=3 16907 B18R2.9737 CNCCCOCc1ncc2ccccc2n1 34a_100000213112_100009868571 [0,2,0,0,0,0|2,0,0]=4 16908 B18R2.9737 COCCCCNc1ccc2ccccc2c1 34a_100000211940_100000755781 [0,2,0,0,0,0|1,0,0]=3 16909 B18R2.9737 COCCCCNc1ccc2ccccc2c1 7a_100000211940_100000730899 [0,2,0,0,0,0|1,0,0]=3 16910 B18R2.9737 COCCCCNc1ccc2cccnc2c1 34a_100102887122_100000755781 [0,2,0,0,0,0|2,0,0]=4 16911 B18R2.9737 COCCCCNc1ccc2cnccc2c1 34a_100000039641_100000755781 [0,2,0,0,0,0|2,0,0]=4 16912 B18R2.9737 COCCCCNc1ccc2ncccc2c1 34a_100011198106_100000755781 [0,2,0,0,0,0|2,0,0]=4 16913 B18R2.9737 COCCCCOc1ccc2ccccc2c1 34a_100000185828_100000755781 [0,2,0,0,0,0|0,0,0]=2 16914 B18R2.9737 COCCCCOc1ccc2ccccc2c1 7a_100000185828_100000730899 [0,2,0,0,0,0|0,0,0]=2 16915 B18R2.9737 COCCCCOc1ccc2cccnc2c1 34a_100011216045_100000755781 [0,2,0,0,0,0|1,0,0]=3 16916 B18R2.9737 COCCCCOc1ccc2ccncc2c1 7a_100000752006_100000730899 [0,2,0,0,0,0|1,0,0]=3 16917 B18R2.9737 COCCCCOc1ccc2cnccc2c1 34a_100000046372_100000755781 [0,2,0,0,0,0|1,0,0]=3 16918 B18R2.9737 COCCCCOc1ccc2cnccc2c1 7a_100000046372_100000730899 [0,2,0,0,0,0|1,0,0]=3 16919 B18R2.9737 COCCCCOc1ccc2ncccc2c1 34a_100011215586_100000755781 [0,2,0,0,0,0|1,0,0]=3 16920 B18R2.9737 COCCCCOc1ccc2ncccc2c1 7a_100011215586_100000730899 [0,2,0,0,0,0|1,0,0]=3 16921 B18R2.9737 COCCCCOc1ccc2nccnc2c1 34a_100000694412_100000755781 [0,2,0,0,0,0|2,0,0]=4 16922 B18R2.9737 COCCCCOc1cnc2ccccc2c1 34a_100011934006_100000755781 [0,2,0,0,0,0|1,0,0]=3 16923 B18R2.9737 COCCCCOc1cnc2ccccc2c1 7a_100011934006_100000730899 [0,2,0,0,0,0|1,0,0]=3 16924 B18R2.9737 COCCCCSc1cc2ccccc2cn1 62a_100000730899_100000047361 [0,2,0,0,0,0|1,1,0]=4 16925 B18R2.9737 COCCCCSc1cc2ccccc2cn1 62a_100009816522_100000730899 [0,2,0,0,0,0|1,1,0]=4 16926 B18R2.9737 COCCCCSc1ccc2ccccc2c1 62a_100000730899_100000233703 [0,2,0,0,0,0|0,1,0]=3 16927 B18R2.9737 COCCCCSc1ccc2ccccc2n1 62a_100000730899_100011291633 [0,2,0,0,0,0|1,1,0]=4 16928 B18R2.9737 COCCCCSc1ccc2ccccc2n1 62a_100011291633_100000730899 [0,2,0,0,0,0|1,1,0]=4 16929 B18R2.9737 COCCCCSc1ccc2cccnc2c1 62a_100000730899_100009816655 [0,2,0,0,0,0|1,1,0]=4 16930 B18R2.9737 COCCCCSc1ccc2ccncc2c1 62a_100000686496_100000730899 [0,2,0,0,0,0|1,1,0]=4 16931 B18R2.9737 COCCCCSc1ccc2ccncc2c1 62a_100000730899_100000686496 [0,2,0,0,0,0|1,1,0]=4 16932 B18R2.9737 COCCCCSc1ccc2cnccc2c1 62a_100000730899_100009816743 [0,2,0,0,0,0|1,1,0]=4 16933 B18R2.9737 COCCCCSc1ccc2cnccc2c1 62a_100009816743_100000730899 [0,2,0,0,0,0|1,1,0]=4 16934 B18R2.9737 COCCCCSc1ccc2ncccc2c1 62a_100000730899_100011215947 [0,2,0,0,0,0|1,1,0]=4 16935 B18R2.9737 COCCCCSc1ccc2ncccc2c1 62a_100011215947_100000730899 [0,2,0,0,0,0|1,1,0]=4 16936 B18R2.9737 COCCCCSc1cnc2ccccc2c1 62a_100000730899_100000737414 [0,2,0,0,0,0|1,1,0]=4 16937 B18R2.9737 COCCCNCc1cc2ccccc2cn1 207a_100150723488_100000059776 [0,2,0,0,0,0|2,0,0]=4 16938 B18R2.9737 COCCCNCc1cc2ccccc2cn1 270004a_100150723488_100000059776 [0,2,0,0,0,0|2,0,0]=4 16939 B18R2.9737 COCCCNCc1cc2ccccc2cn1 34a_100150723488_100009869231 [0,2,0,0,0,0|2,0,0]=4 16940 B18R2.9737 COCCCNCc1ccc2ccccc2c1 207a_100150723488_100000211584 [0,2,0,0,0,0|1,0,0]=3 16941 B18R2.9737 COCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000740836 [0,2,0,0,0,0|1,0,0]=3 16942 B18R2.9737 COCCCNCc1ccc2ccccc2c1 270004a_100150723488_100000211584 [0,2,0,0,0,0|1,0,0]=3 16943 B18R2.9737 COCCCNCc1ccc2ccccc2c1 34a_100000739491_100000740836 [0,2,0,0,0,0|1,0,0]=3 16944 B18R2.9737 COCCCNCc1ccc2ccccc2c1 34a_100150723488_100011216711 [0,2,0,0,0,0|1,0,0]=3 16945 B18R2.9737 COCCCNCc1ccc2ccccc2n1 207a_100150723488_100000759686 [0,2,0,0,0,0|2,0,0]=4 16946 B18R2.9737 COCCCNCc1ccc2ccccc2n1 270004a_100150723488_100000759686 [0,2,0,0,0,0|2,0,0]=4 16947 B18R2.9737 COCCCNCc1ccc2ccccc2n1 34a_100150723488_100000737579 [0,2,0,0,0,0|2,0,0]=4 16948 B18R2.9737 COCCCNCc1ccc2cccnc2c1 207a_100150723488_100011784159 [0,2,0,0,0,0|2,0,0]=4 16949 B18R2.9737 COCCCNCc1ccc2cccnc2c1 270004a_100150723488_100011784159 [0,2,0,0,0,0|2,0,0]=4 16950 B18R2.9737 COCCCNCc1ccc2cnccc2c1 207a_100150723488_100000068276 [0,2,0,0,0,0|2,0,0]=4 16951 B18R2.9737 COCCCNCc1ccc2cnccc2c1 270004a_100150723488_100000068276 [0,2,0,0,0,0|2,0,0]=4 16952 B18R2.9737 COCCCNCc1ccc2cnccc2c1 34a_100150723488_100020605334 [0,2,0,0,0,0|2,0,0]=4 16953 B18R2.9737 COCCCNCc1ccc2ncccc2c1 207a_100150723488_100000211315 [0,2,0,0,0,0|2,0,0]=4 16954 B18R2.9737 COCCCNCc1ccc2ncccc2c1 270004a_100150723488_100000211315 [0,2,0,0,0,0|2,0,0]=4 16955 B18R2.9737 COCCCNCc1ccc2ncccc2c1 34a_100000238500_100000740836 [0,2,0,0,0,0|2,0,0]=4 16956 B18R2.9737 COCCCNCc1ccc2ncccc2c1 34a_100150723488_100000703657 [0,2,0,0,0,0|2,0,0]=4 16957 B18R2.9737 COCCCNCc1cnc2ccccc2c1 207a_100150723488_100000750898 [0,2,0,0,0,0|2,0,0]=4 16958 B18R2.9737 COCCCNCc1cnc2ccccc2c1 270004a_100150723488_100000750898 [0,2,0,0,0,0|2,0,0]=4 16959 B18R2.9737 COCCCNCc1cnc2ccccc2c1 34a_100000742225_100000740836 [0,2,0,0,0,0|2,0,0]=4 16960 B18R2.9737 COCCCOCc1cc2ccccc2cn1 34a_100000740835_100009869231 [0,2,0,0,0,0|1,0,0]=3 16961 B18R2.9737 COCCCOCc1ccc2ccccc2c1 34a_100000740835_100011216711 [0,2,0,0,0,0|0,0,0]=2 16962 B18R2.9737 COCCCOCc1ccc2ccccc2c1 34a_100011215330_100000740836 [0,2,0,0,0,0|0,0,0]=2 16963 B18R2.9737 COCCCOCc1ccc2ccccc2c1 7a_100011215330_100000740836 [0,2,0,0,0,0|0,0,0]=2 16964 B18R2.9737 COCCCOCc1ccc2ccccc2n1 34a_100000740835_100000737579 [0,2,0,0,0,0|1,0,0]=3 16965 B18R2.9737 COCCCOCc1ccc2cnccc2c1 34a_100000740835_100020605334 [0,2,0,0,0,0|1,0,0]=3 16966 B18R2.9737 COCCCOCc1ccc2ncccc2c1 34a_100000740835_100000703657 [0,2,0,0,0,0|1,0,0]=3 16967 B18R2.9737 COCCCOCc1ccc2ncccc2c1 34a_100011315636_100000740836 [0,2,0,0,0,0|1,0,0]=3 16968 B18R2.9737 COCCCOCc1cnc2ccccc2c1 34a_100011258773_100000740836 [0,2,0,0,0,0|1,0,0]=3 16969 B18R2.9737 COCCCOCc1ncc2ccccc2n1 34a_100000740835_100009868571 [0,2,0,0,0,0|2,0,0]=4 16970 B18R2.9737 COCCCSCc1cc2ccccc2cn1 62a_100000709357_100009869231 [0,2,0,0,0,0|1,1,0]=4 16971 B18R2.9737 COCCCSCc1cc2ccccc2cn1 62a_100009869231_100000709357 [0,2,0,0,0,0|1,1,0]=4 16972 B18R2.9737 COCCCSCc1ccc2ccccc2c1 62a_100000709357_100011216711 [0,2,0,0,0,0|0,1,0]=3 16973 B18R2.9737 COCCCSCc1ccc2ccccc2c1 62a_100011216711_100000709357 [0,2,0,0,0,0|0,1,0]=3 16974 B18R2.9737 COCCCSCc1ccc2ccccc2n1 62a_100000709357_100000737579 [0,2,0,0,0,0|1,1,0]=4 16975 B18R2.9737 COCCCSCc1ccc2ccccc2n1 62a_100000737579_100000709357 [0,2,0,0,0,0|1,1,0]=4 16976 B18R2.9737 COCCCSCc1ccc2cnccc2c1 62a_100000709357_100020605334 [0,2,0,0,0,0|1,1,0]=4 16977 B18R2.9737 COCCCSCc1ccc2cnccc2c1 62a_100020605334_100000709357 [0,2,0,0,0,0|1,1,0]=4 16978 B18R2.9737 COCCCSCc1ccc2ncccc2c1 62a_100000703657_100000709357 [0,2,0,0,0,0|1,1,0]=4 16979 B18R2.9737 COCCCSCc1ccc2ncccc2c1 62a_100000709357_100000703657 [0,2,0,0,0,0|1,1,0]=4 16980 B18R2.9737 COCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011201679 [0,2,0,0,0,0|1,0,0]=3 16981 B18R2.9737 COCCNCCc1ccc2ccccc2c1 34a_100000746582_100011201679 [0,2,0,0,0,0|1,0,0]=3 16982 B18R2.9737 COCCOCCc1ccc2ccccc2c1 34a_100000755654_100011201679 [0,2,0,0,0,0|1,0,0]=3 16983 B18R2.9737 COCCOCCc1ccc2ccccc2c1 7a_100000755654_100000233755 [0,2,0,0,0,0|1,0,0]=3 16984 B18R2.9737 COCCOCCc1ccc2ccccc2n1 34a_100011996444_100011201679 [0,2,0,0,0,0|2,0,0]=4 16985 B18R2.9737 COCCOCSc1cc2ccccc2cn1 62a_100000231047_100000047361 [0,2,0,0,0,0|1,1,0]=4 16986 B18R2.9737 COCCOCSc1cc2ccccc2cn1 62a_100009816522_100000231047 [0,2,0,0,0,0|1,1,0]=4 16987 B18R2.9737 COCCOCSc1ccc2ccccc2c1 62a_100000231047_100000233703 [0,2,0,0,0,0|0,1,0]=3 16988 B18R2.9737 COCCOCSc1ccc2ccccc2n1 62a_100000231047_100011291633 [0,2,0,0,0,0|1,1,0]=4 16989 B18R2.9737 COCCOCSc1ccc2ccccc2n1 62a_100011291633_100000231047 [0,2,0,0,0,0|1,1,0]=4 16990 B18R2.9737 COCCOCSc1ccc2cccnc2c1 62a_100000231047_100009816655 [0,2,0,0,0,0|1,1,0]=4 16991 B18R2.9737 COCCOCSc1ccc2ccncc2c1 62a_100000231047_100000686496 [0,2,0,0,0,0|1,1,0]=4 16992 B18R2.9737 COCCOCSc1ccc2ccncc2c1 62a_100000686496_100000231047 [0,2,0,0,0,0|1,1,0]=4 16993 B18R2.9737 COCCOCSc1ccc2cnccc2c1 62a_100000231047_100009816743 [0,2,0,0,0,0|1,1,0]=4 16994 B18R2.9737 COCCOCSc1ccc2cnccc2c1 62a_100009816743_100000231047 [0,2,0,0,0,0|1,1,0]=4 16995 B18R2.9737 COCCOCSc1ccc2ncccc2c1 62a_100000231047_100011215947 [0,2,0,0,0,0|1,1,0]=4 16996 B18R2.9737 COCCOCSc1ccc2ncccc2c1 62a_100011215947_100000231047 [0,2,0,0,0,0|1,1,0]=4 16997 B18R2.9737 COCCOCSc1cnc2ccccc2c1 62a_100000231047_100000737414 [0,2,0,0,0,0|1,1,0]=4 16998 B18R2.9737 CSCCC=NNc1ccc2ccccc2c1 4a_100016987534_100000210997 [0,2,0,0,0,0|1,0,1]=4 16999 B18R2.9737 CSCCCNCc1cc2ccccc2cn1 207a_100000749238_100000059776 [0,2,0,0,0,0|2,0,0]=4 17000 B18R2.9737 CSCCCNCc1cc2ccccc2cn1 2230a_100000749238_100009869231 [0,2,0,0,0,0|2,0,0]=4 17001 B18R2.9737 CSCCCNCc1cc2ccccc2cn1 270004a_100000749238_100000059776 [0,2,0,0,0,0|2,0,0]=4 17002 B18R2.9737 CSCCCNCc1ccc2ccccc2c1 207a_100000749238_100000211584 [0,2,0,0,0,0|1,0,0]=3 17003 B18R2.9737 CSCCCNCc1ccc2ccccc2c1 2230a_100000749238_100011216711 [0,2,0,0,0,0|1,0,0]=3 17004 B18R2.9737 CSCCCNCc1ccc2ccccc2c1 270004a_100000749238_100000211584 [0,2,0,0,0,0|1,0,0]=3 17005 B18R2.9737 CSCCCNCc1ccc2ccccc2n1 207a_100000749238_100000759686 [0,2,0,0,0,0|2,0,0]=4 17006 B18R2.9737 CSCCCNCc1ccc2ccccc2n1 2230a_100000749238_100000737579 [0,2,0,0,0,0|2,0,0]=4 17007 B18R2.9737 CSCCCNCc1ccc2ccccc2n1 270004a_100000749238_100000759686 [0,2,0,0,0,0|2,0,0]=4 17008 B18R2.9737 CSCCCNCc1ccc2cccnc2c1 207a_100000749238_100011784159 [0,2,0,0,0,0|2,0,0]=4 17009 B18R2.9737 CSCCCNCc1ccc2cccnc2c1 270004a_100000749238_100011784159 [0,2,0,0,0,0|2,0,0]=4 17010 B18R2.9737 CSCCCNCc1ccc2cnccc2c1 207a_100000749238_100000068276 [0,2,0,0,0,0|2,0,0]=4 17011 B18R2.9737 CSCCCNCc1ccc2cnccc2c1 2230a_100000749238_100020605334 [0,2,0,0,0,0|2,0,0]=4 17012 B18R2.9737 CSCCCNCc1ccc2cnccc2c1 270004a_100000749238_100000068276 [0,2,0,0,0,0|2,0,0]=4 17013 B18R2.9737 CSCCCNCc1ccc2ncccc2c1 207a_100000749238_100000211315 [0,2,0,0,0,0|2,0,0]=4 17014 B18R2.9737 CSCCCNCc1ccc2ncccc2c1 2230a_100000749238_100000703657 [0,2,0,0,0,0|2,0,0]=4 17015 B18R2.9737 CSCCCNCc1ccc2ncccc2c1 270004a_100000749238_100000211315 [0,2,0,0,0,0|2,0,0]=4 17016 B18R2.9737 CSCCCNCc1cnc2ccccc2c1 207a_100000749238_100000750898 [0,2,0,0,0,0|2,0,0]=4 17017 B18R2.9737 CSCCCNCc1cnc2ccccc2c1 270004a_100000749238_100000750898 [0,2,0,0,0,0|2,0,0]=4 17018 B18R2.9737 CSCCCOCc1cc2ccccc2cn1 34a_100000690336_100009869231 [0,2,0,0,0,0|1,0,0]=3 17019 B18R2.9737 CSCCCOCc1cc2ccccc2cn1 7a_100000690336_100009869231 [0,2,0,0,0,0|1,0,0]=3 17020 B18R2.9737 CSCCCOCc1ccc2ccccc2c1 34a_100000690336_100011216711 [0,2,0,0,0,0|0,0,0]=2 17021 B18R2.9737 CSCCCOCc1ccc2ccccc2c1 7a_100000690336_100011216711 [0,2,0,0,0,0|0,0,0]=2 17022 B18R2.9737 CSCCCOCc1ccc2ccccc2n1 34a_100000690336_100000737579 [0,2,0,0,0,0|1,0,0]=3 17023 B18R2.9737 CSCCCOCc1ccc2ccccc2n1 7a_100000690336_100000737579 [0,2,0,0,0,0|1,0,0]=3 17024 B18R2.9737 CSCCCOCc1ccc2cnccc2c1 34a_100000690336_100020605334 [0,2,0,0,0,0|1,0,0]=3 17025 B18R2.9737 CSCCCOCc1ccc2cnccc2c1 7a_100000690336_100020605334 [0,2,0,0,0,0|1,0,0]=3 17026 B18R2.9737 CSCCCOCc1ccc2ncccc2c1 34a_100000690336_100000703657 [0,2,0,0,0,0|1,0,0]=3 17027 B18R2.9737 CSCCCOCc1ccc2ncccc2c1 7a_100000690336_100000703657 [0,2,0,0,0,0|1,0,0]=3 17028 B18R2.9737 CSCCCOCc1ccc2nccnc2c1 7a_100000690336_200011762199 [0,2,0,0,0,0|2,0,0]=4 17029 B18R2.9737 CSCCCOCc1cnc2ccccc2n1 7a_100000690336_200000751123 [0,2,0,0,0,0|2,0,0]=4 17030 B18R2.9737 CSCCCOCc1ncc2ccccc2n1 34a_100000690336_100009868571 [0,2,0,0,0,0|2,0,0]=4 17031 B18R2.9737 CSCCCOCc1ncc2ccccc2n1 7a_100000690336_100009868571 [0,2,0,0,0,0|2,0,0]=4 17032 B18R2.9737 CSCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000751147 [0,2,0,0,0,0|1,0,0]=3 17033 B18R2.9737 CSCCNCCc1ccc2ccccc2c1 34a_100000746582_100000212216 [0,2,0,0,0,0|1,0,0]=3 17034 B18R2.9737 CSCCOCCc1ccc2ccccc2c1 34a_100000755654_100000212216 [0,2,0,0,0,0|1,0,0]=3 17035 B18R2.9737 CSCCOCCc1ccc2ccccc2c1 7a_100000755654_100000212216 [0,2,0,0,0,0|1,0,0]=3 17036 B18R2.9737 CSCCOCCc1ccc2ccccc2n1 34a_100011996444_100000212216 [0,2,0,0,0,0|2,0,0]=4 17037 B18R2.9737 CSCOCCOc1ccc2ccccc2c1 34a_200011219602_100011218213 [0,2,0,0,0,0|0,0,0]=2 17038 B18R2.9737 ClCC#CCOCc1ccc2ccccc2c1 34a_200000047223_100011216711 [0,2,0,0,0,0|0,0,2]=4 17039 B18R2.9737 ClCCCCOCc1cc2ccccc2cn1 34a_100000210776_100009869231 [0,2,0,0,0,0|1,0,0]=3 17040 B18R2.9737 ClCCCCOCc1cc2ccccc2cn1 7a_100000210776_100009869231 [0,2,0,0,0,0|1,0,0]=3 17041 B18R2.9737 ClCCCCOCc1ccc2ccccc2c1 34a_100000210776_100011216711 [0,2,0,0,0,0|0,0,0]=2 17042 B18R2.9737 ClCCCCOCc1ccc2ccccc2c1 7a_100000210776_100011216711 [0,2,0,0,0,0|0,0,0]=2 17043 B18R2.9737 ClCCCCOCc1ccc2ccccc2n1 34a_100000210776_100000737579 [0,2,0,0,0,0|1,0,0]=3 17044 B18R2.9737 ClCCCCOCc1ccc2ccccc2n1 7a_100000210776_100000737579 [0,2,0,0,0,0|1,0,0]=3 17045 B18R2.9737 ClCCCCOCc1ccc2cnccc2c1 34a_100000210776_100020605334 [0,2,0,0,0,0|1,0,0]=3 17046 B18R2.9737 ClCCCCOCc1ccc2cnccc2c1 7a_100000210776_100020605334 [0,2,0,0,0,0|1,0,0]=3 17047 B18R2.9737 ClCCCCOCc1ccc2ncccc2c1 34a_100000210776_100000703657 [0,2,0,0,0,0|1,0,0]=3 17048 B18R2.9737 ClCCCCOCc1ccc2ncccc2c1 7a_100000210776_100000703657 [0,2,0,0,0,0|1,0,0]=3 17049 B18R2.9737 ClCCCCOCc1ccc2nccnc2c1 7a_100000210776_200011762199 [0,2,0,0,0,0|2,0,0]=4 17050 B18R2.9737 ClCCCCOCc1cnc2ccccc2n1 7a_100000210776_200000751123 [0,2,0,0,0,0|2,0,0]=4 17051 B18R2.9737 ClCCCCOCc1ncc2ccccc2n1 34a_100000210776_100009868571 [0,2,0,0,0,0|2,0,0]=4 17052 B18R2.9737 ClCCCCOCc1ncc2ccccc2n1 7a_100000210776_100009868571 [0,2,0,0,0,0|2,0,0]=4 17053 B18R2.9737 FCCCCCNc1ccc2ccccc2c1 34a_100000211940_100000729378 [0,2,0,0,0,0|1,0,0]=3 17054 B18R2.9737 FCCCCCNc1ccc2ccccc2c1 7a_100000211940_100000729378 [0,2,0,0,0,0|1,0,0]=3 17055 B18R2.9737 FCCCCCNc1ccc2cccnc2c1 34a_100102887122_100000729378 [0,2,0,0,0,0|2,0,0]=4 17056 B18R2.9737 FCCCCCNc1ccc2cnccc2c1 34a_100000039641_100000729378 [0,2,0,0,0,0|2,0,0]=4 17057 B18R2.9737 FCCCCCNc1ccc2ncccc2c1 34a_100011198106_100000729378 [0,2,0,0,0,0|2,0,0]=4 17058 B18R2.9737 FCCCCCOc1ccc2ccccc2c1 34a_100000185828_100000729378 [0,2,0,0,0,0|0,0,0]=2 17059 B18R2.9737 FCCCCCOc1ccc2ccccc2c1 7a_100000185828_100000729378 [0,2,0,0,0,0|0,0,0]=2 17060 B18R2.9737 FCCCCCOc1ccc2cccnc2c1 34a_100011216045_100000729378 [0,2,0,0,0,0|1,0,0]=3 17061 B18R2.9737 FCCCCCOc1ccc2ccncc2c1 7a_100000752006_100000729378 [0,2,0,0,0,0|1,0,0]=3 17062 B18R2.9737 FCCCCCOc1ccc2cnccc2c1 34a_100000046372_100000729378 [0,2,0,0,0,0|1,0,0]=3 17063 B18R2.9737 FCCCCCOc1ccc2cnccc2c1 7a_100000046372_100000729378 [0,2,0,0,0,0|1,0,0]=3 17064 B18R2.9737 FCCCCCOc1ccc2ncccc2c1 34a_100011215586_100000729378 [0,2,0,0,0,0|1,0,0]=3 17065 B18R2.9737 FCCCCCOc1ccc2ncccc2c1 7a_100011215586_100000729378 [0,2,0,0,0,0|1,0,0]=3 17066 B18R2.9737 FCCCCCOc1ccc2nccnc2c1 34a_100000694412_100000729378 [0,2,0,0,0,0|2,0,0]=4 17067 B18R2.9737 FCCCCCOc1cnc2ccccc2c1 34a_100011934006_100000729378 [0,2,0,0,0,0|1,0,0]=3 17068 B18R2.9737 FCCCCCOc1cnc2ccccc2c1 7a_100011934006_100000729378 [0,2,0,0,0,0|1,0,0]=3 17069 B18R2.9737 FCCCCCSc1cc2ccccc2cn1 62a_100000729378_100000047361 [0,2,0,0,0,0|1,1,0]=4 17070 B18R2.9737 FCCCCCSc1cc2ccccc2cn1 62a_100009816522_100000729378 [0,2,0,0,0,0|1,1,0]=4 17071 B18R2.9737 FCCCCCSc1ccc2ccccc2n1 62a_100000729378_100011291633 [0,2,0,0,0,0|1,1,0]=4 17072 B18R2.9737 FCCCCCSc1ccc2ccccc2n1 62a_100011291633_100000729378 [0,2,0,0,0,0|1,1,0]=4 17073 B18R2.9737 FCCCCCSc1ccc2cccnc2c1 62a_100000729378_100009816655 [0,2,0,0,0,0|1,1,0]=4 17074 B18R2.9737 FCCCCCSc1ccc2ccncc2c1 62a_100000686496_100000729378 [0,2,0,0,0,0|1,1,0]=4 17075 B18R2.9737 FCCCCCSc1ccc2ccncc2c1 62a_100000729378_100000686496 [0,2,0,0,0,0|1,1,0]=4 17076 B18R2.9737 FCCCCCSc1ccc2cnccc2c1 62a_100000729378_100009816743 [0,2,0,0,0,0|1,1,0]=4 17077 B18R2.9737 FCCCCCSc1ccc2cnccc2c1 62a_100009816743_100000729378 [0,2,0,0,0,0|1,1,0]=4 17078 B18R2.9737 FCCCCCSc1ccc2ncccc2c1 62a_100000729378_100011215947 [0,2,0,0,0,0|1,1,0]=4 17079 B18R2.9737 FCCCCCSc1ccc2ncccc2c1 62a_100011215947_100000729378 [0,2,0,0,0,0|1,1,0]=4 17080 B18R2.9737 FCCCCCSc1cnc2ccccc2c1 62a_100000729378_100000737414 [0,2,0,0,0,0|1,1,0]=4 17081 B18R2.9737 FCCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000729493 [0,2,0,0,0,0|1,0,0]=3 17082 B18R2.9737 FCCCCNCc1ccc2ccccc2c1 34a_100000739491_100000729493 [0,2,0,0,0,0|1,0,0]=3 17083 B18R2.9737 FCCCCNCc1ccc2ncccc2c1 34a_100000238500_100000729493 [0,2,0,0,0,0|2,0,0]=4 17084 B18R2.9737 FCCCCNCc1cnc2ccccc2c1 34a_100000742225_100000729493 [0,2,0,0,0,0|2,0,0]=4 17085 B18R2.9737 FCCCCOCc1cc2ccccc2cn1 34a_100011995726_100009869231 [0,2,0,0,0,0|1,0,0]=3 17086 B18R2.9737 FCCCCOCc1cc2ccccc2cn1 7a_100011995726_100009869231 [0,2,0,0,0,0|1,0,0]=3 17087 B18R2.9737 FCCCCOCc1ccc2ccccc2c1 34a_100011215330_100000729493 [0,2,0,0,0,0|0,0,0]=2 17088 B18R2.9737 FCCCCOCc1ccc2ccccc2c1 34a_100011995726_100011216711 [0,2,0,0,0,0|0,0,0]=2 17089 B18R2.9737 FCCCCOCc1ccc2ccccc2c1 7a_100011215330_100000729493 [0,2,0,0,0,0|0,0,0]=2 17090 B18R2.9737 FCCCCOCc1ccc2ccccc2c1 7a_100011995726_100011216711 [0,2,0,0,0,0|0,0,0]=2 17091 B18R2.9737 FCCCCOCc1ccc2ccccc2n1 34a_100011995726_100000737579 [0,2,0,0,0,0|1,0,0]=3 17092 B18R2.9737 FCCCCOCc1ccc2ccccc2n1 7a_100011995726_100000737579 [0,2,0,0,0,0|1,0,0]=3 17093 B18R2.9737 FCCCCOCc1ccc2cnccc2c1 34a_100011995726_100020605334 [0,2,0,0,0,0|1,0,0]=3 17094 B18R2.9737 FCCCCOCc1ccc2cnccc2c1 7a_100011995726_100020605334 [0,2,0,0,0,0|1,0,0]=3 17095 B18R2.9737 FCCCCOCc1ccc2ncccc2c1 34a_100011315636_100000729493 [0,2,0,0,0,0|1,0,0]=3 17096 B18R2.9737 FCCCCOCc1ccc2ncccc2c1 34a_100011995726_100000703657 [0,2,0,0,0,0|1,0,0]=3 17097 B18R2.9737 FCCCCOCc1ccc2ncccc2c1 7a_100011995726_100000703657 [0,2,0,0,0,0|1,0,0]=3 17098 B18R2.9737 FCCCCOCc1ccc2nccnc2c1 7a_100011995726_200011762199 [0,2,0,0,0,0|2,0,0]=4 17099 B18R2.9737 FCCCCOCc1cnc2ccccc2c1 34a_100011258773_100000729493 [0,2,0,0,0,0|1,0,0]=3 17100 B18R2.9737 FCCCCOCc1cnc2ccccc2n1 7a_100011995726_200000751123 [0,2,0,0,0,0|2,0,0]=4 17101 B18R2.9737 FCCCCOCc1ncc2ccccc2n1 34a_100011995726_100009868571 [0,2,0,0,0,0|2,0,0]=4 17102 B18R2.9737 FCCCCOCc1ncc2ccccc2n1 7a_100011995726_100009868571 [0,2,0,0,0,0|2,0,0]=4 17103 B18R2.9737 FCCCCSCc1cc2ccccc2cn1 62a_100000729493_100009869231 [0,2,0,0,0,0|1,1,0]=4 17104 B18R2.9737 FCCCCSCc1cc2ccccc2cn1 62a_100009869231_100000729493 [0,2,0,0,0,0|1,1,0]=4 17105 B18R2.9737 FCCCCSCc1ccc2ccccc2c1 62a_100000729493_100011216711 [0,2,0,0,0,0|0,1,0]=3 17106 B18R2.9737 FCCCCSCc1ccc2ccccc2c1 62a_100011216711_100000729493 [0,2,0,0,0,0|0,1,0]=3 17107 B18R2.9737 FCCCCSCc1ccc2ccccc2n1 62a_100000729493_100000737579 [0,2,0,0,0,0|1,1,0]=4 17108 B18R2.9737 FCCCCSCc1ccc2ccccc2n1 62a_100000737579_100000729493 [0,2,0,0,0,0|1,1,0]=4 17109 B18R2.9737 FCCCCSCc1ccc2cnccc2c1 62a_100000729493_100020605334 [0,2,0,0,0,0|1,1,0]=4 17110 B18R2.9737 FCCCCSCc1ccc2cnccc2c1 62a_100020605334_100000729493 [0,2,0,0,0,0|1,1,0]=4 17111 B18R2.9737 FCCCCSCc1ccc2ncccc2c1 62a_100000703657_100000729493 [0,2,0,0,0,0|1,1,0]=4 17112 B18R2.9737 FCCCCSCc1ccc2ncccc2c1 62a_100000729493_100000703657 [0,2,0,0,0,0|1,1,0]=4 17113 B18R2.9737 FCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011934791 [0,2,0,0,0,0|1,0,0]=3 17114 B18R2.9737 FCCCNCCc1ccc2ccccc2c1 34a_100000746582_100011934791 [0,2,0,0,0,0|1,0,0]=3 17115 B18R2.9737 FCCCOCCc1ccc2ccccc2c1 34a_100000755654_100011934791 [0,2,0,0,0,0|1,0,0]=3 17116 B18R2.9737 FCCCOCCc1ccc2ccccc2c1 7a_100000755654_100011934791 [0,2,0,0,0,0|1,0,0]=3 17117 B18R2.9737 FCCCOCCc1ccc2ccccc2n1 34a_100011996444_100011934791 [0,2,0,0,0,0|2,0,0]=4 17118 B18R2.9737 FCCOCCOc1ccc2ccccc2c1 34a_200011219602_100011217306 [0,2,0,0,0,0|0,0,0]=2 17119 B18R2.9737 FCCOCCOc1ccc2ccccc2c1 7a_200011219602_100011217306 [0,2,0,0,0,0|0,0,0]=2 17120 B18R2.9737 FCSCCCOc1ccc2ccccc2c1 62a_100000750887_100015361967 [0,2,0,0,0,0|0,0,0]=2 17121 B18R2.9737 FCSCCCOc1ccc2ccccc2c1 62a_100015361967_100000750887 [0,2,0,0,0,0|0,0,0]=2 17122 B18R2.9737 ICCCCOCc1cc2ccccc2cn1 34a_200012148704_100009869231 [0,2,0,0,0,0|1,0,0]=3 17123 B18R2.9737 ICCCCOCc1ccc2ccccc2c1 34a_200012148704_100011216711 [0,2,0,0,0,0|0,0,0]=2 17124 B18R2.9737 ICCCCOCc1ccc2ccccc2n1 34a_200012148704_100000737579 [0,2,0,0,0,0|1,0,0]=3 17125 B18R2.9737 ICCCCOCc1ccc2cnccc2c1 34a_200012148704_100020605334 [0,2,0,0,0,0|1,0,0]=3 17126 B18R2.9737 ICCCCOCc1ccc2ncccc2c1 34a_200012148704_100000703657 [0,2,0,0,0,0|1,0,0]=3 17127 B18R2.9737 ICCCCOCc1ncc2ccccc2n1 34a_200012148704_100009868571 [0,2,0,0,0,0|2,0,0]=4 17128 B18R2.9737 N#CCCCCNc1ccc2ccccc2c1 7a_100000211940_100000211819 [0,2,0,0,0,0|1,0,0]=3 17129 B18R2.9737 N#CCCCCNc1ccc2ccccc2n1 27a_100000751965_100011291633 [0,2,0,0,0,0|2,0,0]=4 17130 B18R2.9737 N#CCCCCOc1ccc2ccccc2c1 7a_100000185828_100000211819 [0,2,0,0,0,0|0,0,0]=2 17131 B18R2.9737 N#CCCCCOc1ccc2ccncc2c1 7a_100000752006_100000211819 [0,2,0,0,0,0|1,0,0]=3 17132 B18R2.9737 N#CCCCCOc1ccc2cnccc2c1 7a_100000046372_100000211819 [0,2,0,0,0,0|1,0,0]=3 17133 B18R2.9737 N#CCCCCOc1ccc2ncccc2c1 7a_100011215586_100000211819 [0,2,0,0,0,0|1,0,0]=3 17134 B18R2.9737 N#CCCCCOc1cnc2ccccc2c1 7a_100011934006_100000211819 [0,2,0,0,0,0|1,0,0]=3 17135 B18R2.9737 N#CCCCCSc1cc2ccccc2cn1 62a_100009816522_100000211819 [0,2,0,0,0,0|1,1,0]=4 17136 B18R2.9737 N#CCCCCSc1cc2ccccc2cn1 62a_100011219923_100000047361 [0,2,0,0,0,0|1,1,0]=4 17137 B18R2.9737 N#CCCCCSc1ccc2ccccc2c1 62a_100011219923_100000233703 [0,2,0,0,0,0|0,1,0]=3 17138 B18R2.9737 N#CCCCCSc1ccc2ccccc2n1 62a_100011219923_100011291633 [0,2,0,0,0,0|1,1,0]=4 17139 B18R2.9737 N#CCCCCSc1ccc2ccccc2n1 62a_100011291633_100000211819 [0,2,0,0,0,0|1,1,0]=4 17140 B18R2.9737 N#CCCCCSc1ccc2cccnc2c1 62a_100011219923_100009816655 [0,2,0,0,0,0|1,1,0]=4 17141 B18R2.9737 N#CCCCCSc1ccc2ccncc2c1 62a_100000686496_100000211819 [0,2,0,0,0,0|1,1,0]=4 17142 B18R2.9737 N#CCCCCSc1ccc2ccncc2c1 62a_100011219923_100000686496 [0,2,0,0,0,0|1,1,0]=4 17143 B18R2.9737 N#CCCCCSc1ccc2cnccc2c1 62a_100009816743_100000211819 [0,2,0,0,0,0|1,1,0]=4 17144 B18R2.9737 N#CCCCCSc1ccc2cnccc2c1 62a_100011219923_100009816743 [0,2,0,0,0,0|1,1,0]=4 17145 B18R2.9737 N#CCCCCSc1ccc2ncccc2c1 62a_100011215947_100000211819 [0,2,0,0,0,0|1,1,0]=4 17146 B18R2.9737 N#CCCCCSc1ccc2ncccc2c1 62a_100011219923_100011215947 [0,2,0,0,0,0|1,1,0]=4 17147 B18R2.9737 N#CCCCCSc1cnc2ccccc2c1 62a_100011219923_100000737414 [0,2,0,0,0,0|1,1,0]=4 17148 B18R2.9737 N#CCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000687738 [0,2,0,0,0,0|1,0,1]=4 17149 B18R2.9737 N#CCCCOCc1ccc2ccccc2c1 7a_100011215330_100000687738 [0,2,0,0,0,0|0,0,1]=3 17150 B18R2.9737 N#CCCCSCc1ccc2ccccc2c1 62a_100000687738_100011216711 [0,2,0,0,0,0|0,1,1]=4 17151 B18R2.9737 N#CCCCSCc1ccc2ccccc2c1 62a_100011216711_100000687738 [0,2,0,0,0,0|0,1,1]=4 17152 B18R2.9737 N#CCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011215226 [0,2,0,0,0,0|1,0,1]=4 17153 B18R2.9737 N#CCCOCCc1ccc2ccccc2c1 7a_100000755654_100000184422 [0,2,0,0,0,0|1,0,1]=4 17154 B18R2.9737 N#CCOCCNc1ccc2ccccc2c1 7a_100000211940_200000047693 [0,2,0,0,0,0|1,0,1]=4 17155 B18R2.9737 N#CCOCCOc1ccc2ccccc2c1 7a_100000185828_200000047693 [0,2,0,0,0,0|0,0,1]=3 17156 B18R2.9737 N#CCOCCOc1ccc2ccccc2c1 7a_200011219602_100011215382 [0,2,0,0,0,0|0,0,1]=3 17157 B18R2.9737 N#CCOCCOc1ccc2ccncc2c1 7a_100000752006_200000047693 [0,2,0,0,0,0|1,0,1]=4 17158 B18R2.9737 N#CCOCCOc1ccc2cnccc2c1 7a_100000046372_200000047693 [0,2,0,0,0,0|1,0,1]=4 17159 B18R2.9737 N#CCOCCOc1ccc2ncccc2c1 7a_100011215586_200000047693 [0,2,0,0,0,0|1,0,1]=4 17160 B18R2.9737 N#CCOCCOc1cnc2ccccc2c1 7a_100011934006_200000047693 [0,2,0,0,0,0|1,0,1]=4 17161 B18R2.9737 N#CCOCCSc1ccc2ccccc2c1 62a_200000047693_100000233703 [0,2,0,0,0,0|0,1,1]=4 17162 B18R2.9737 NCCCCOCc1cc2ccccc2cn1 34a_100000750430_100009869231 [0,2,0,0,0,0|1,0,0]=3 17163 B18R2.9737 NCCCCOCc1ccc2ccccc2c1 34a_100000750430_100011216711 [0,2,0,0,0,0|0,0,0]=2 17164 B18R2.9737 NCCCCOCc1ccc2ccccc2n1 34a_100000750430_100000737579 [0,2,0,0,0,0|1,0,0]=3 17165 B18R2.9737 NCCCCOCc1ccc2cnccc2c1 34a_100000750430_100020605334 [0,2,0,0,0,0|1,0,0]=3 17166 B18R2.9737 NCCCCOCc1ccc2ncccc2c1 34a_100000750430_100000703657 [0,2,0,0,0,0|1,0,0]=3 17167 B18R2.9737 NCCCCOCc1ncc2ccccc2n1 34a_100000750430_100009868571 [0,2,0,0,0,0|2,0,0]=4 17168 B18R2.9737 O=CCCCCNc1ccc2ccccc2c1 7a_100000211940_100000139335 [0,2,0,0,0,0|1,0,0]=3 17169 B18R2.9737 O=CCCCCOc1ccc2ccccc2c1 7a_100000185828_100000139335 [0,2,0,0,0,0|0,0,0]=2 17170 B18R2.9737 O=CCCCCOc1ccc2ccncc2c1 7a_100000752006_100000139335 [0,2,0,0,0,0|1,0,0]=3 17171 B18R2.9737 O=CCCCCOc1ccc2cnccc2c1 7a_100000046372_100000139335 [0,2,0,0,0,0|1,0,0]=3 17172 B18R2.9737 O=CCCCCOc1ccc2ncccc2c1 7a_100011215586_100000139335 [0,2,0,0,0,0|1,0,0]=3 17173 B18R2.9737 O=CCCCCOc1cnc2ccccc2c1 7a_100011934006_100000139335 [0,2,0,0,0,0|1,0,0]=3 17174 B18R2.9737 O=CCCCCSc1cc2ccccc2cn1 62a_100000139335_100000047361 [0,2,0,0,0,0|1,1,0]=4 17175 B18R2.9737 O=CCCCCSc1cc2ccccc2cn1 62a_100009816522_100000139335 [0,2,0,0,0,0|1,1,0]=4 17176 B18R2.9737 O=CCCCCSc1ccc2ccccc2c1 62a_100000139335_100000233703 [0,2,0,0,0,0|0,1,0]=3 17177 B18R2.9737 O=CCCCCSc1ccc2ccccc2n1 62a_100000139335_100011291633 [0,2,0,0,0,0|1,1,0]=4 17178 B18R2.9737 O=CCCCCSc1ccc2ccccc2n1 62a_100011291633_100000139335 [0,2,0,0,0,0|1,1,0]=4 17179 B18R2.9737 O=CCCCCSc1ccc2cccnc2c1 62a_100000139335_100009816655 [0,2,0,0,0,0|1,1,0]=4 17180 B18R2.9737 O=CCCCCSc1ccc2ccncc2c1 62a_100000139335_100000686496 [0,2,0,0,0,0|1,1,0]=4 17181 B18R2.9737 O=CCCCCSc1ccc2ccncc2c1 62a_100000686496_100000139335 [0,2,0,0,0,0|1,1,0]=4 17182 B18R2.9737 O=CCCCCSc1ccc2cnccc2c1 62a_100000139335_100009816743 [0,2,0,0,0,0|1,1,0]=4 17183 B18R2.9737 O=CCCCCSc1ccc2cnccc2c1 62a_100009816743_100000139335 [0,2,0,0,0,0|1,1,0]=4 17184 B18R2.9737 O=CCCCCSc1ccc2ncccc2c1 62a_100000139335_100011215947 [0,2,0,0,0,0|1,1,0]=4 17185 B18R2.9737 O=CCCCCSc1ccc2ncccc2c1 62a_100011215947_100000139335 [0,2,0,0,0,0|1,1,0]=4 17186 B18R2.9737 O=CCCCCSc1cnc2ccccc2c1 62a_100000139335_100000737414 [0,2,0,0,0,0|1,1,0]=4 17187 B18R2.9737 O=CCCCNCc1ccc2ccccc2c1 2230a_100000739491_200011292268 [0,2,0,0,0,0|1,0,1]=4 17188 B18R2.9737 O=CCCCOCc1ccc2ccccc2c1 7a_100011215330_200011292268 [0,2,0,0,0,0|0,0,1]=3 17189 B18R2.9737 O=CCCCSCc1ccc2ccccc2c1 62a_100011216711_200011292268 [0,2,0,0,0,0|0,1,1]=4 17190 B18R2.9737 O=CCCCSCc1ccc2ccccc2c1 62a_200011292268_100011216711 [0,2,0,0,0,0|0,1,1]=4 17191 B18R2.9737 O=CCOCCOc1ccc2ccccc2c1 34a_200011219602_200009817547 [0,2,0,0,0,0|0,0,1]=3 17192 B18R2.9737 O=CCOCCOc1ccc2ccccc2c1 7a_200011219602_200015260668 [0,2,0,0,0,0|0,0,1]=3 17193 B18R2.9737 OCC#CCOCc1ccc2ccccc2c1 34a_100011215330_200000047223 [0,2,0,0,0,0|0,0,2]=4 17194 B18R2.9737 OCC#CCOCc1ccc2ccccc2c1 7a_100011215330_200000047223 [0,2,0,0,0,0|0,0,2]=4 17195 B18R2.9737 OCCCCCNc1ccc2ccccc2c1 34a_100000211940_100000746330 [0,2,0,0,0,0|1,0,0]=3 17196 B18R2.9737 OCCCCCNc1ccc2ccccc2c1 7a_100000211940_100000746330 [0,2,0,0,0,0|1,0,0]=3 17197 B18R2.9737 OCCCCCNc1ccc2ccccc2n1 27a_100000762737_100011291633 [0,2,0,0,0,0|2,0,0]=4 17198 B18R2.9737 OCCCCCNc1ccc2cccnc2c1 34a_100102887122_100000746330 [0,2,0,0,0,0|2,0,0]=4 17199 B18R2.9737 OCCCCCNc1ccc2cnccc2c1 34a_100000039641_100000746330 [0,2,0,0,0,0|2,0,0]=4 17200 B18R2.9737 OCCCCCNc1ccc2ncccc2c1 34a_100011198106_100000746330 [0,2,0,0,0,0|2,0,0]=4 17201 B18R2.9737 OCCCCCOc1ccc2ccccc2c1 34a_100000185828_100000746330 [0,2,0,0,0,0|0,0,0]=2 17202 B18R2.9737 OCCCCCOc1ccc2ccccc2c1 7a_100000185828_100000746330 [0,2,0,0,0,0|0,0,0]=2 17203 B18R2.9737 OCCCCCOc1ccc2cccnc2c1 34a_100011216045_100000746330 [0,2,0,0,0,0|1,0,0]=3 17204 B18R2.9737 OCCCCCOc1ccc2ccncc2c1 7a_100000752006_100000746330 [0,2,0,0,0,0|1,0,0]=3 17205 B18R2.9737 OCCCCCOc1ccc2cnccc2c1 34a_100000046372_100000746330 [0,2,0,0,0,0|1,0,0]=3 17206 B18R2.9737 OCCCCCOc1ccc2cnccc2c1 7a_100000046372_100000746330 [0,2,0,0,0,0|1,0,0]=3 17207 B18R2.9737 OCCCCCOc1ccc2ncccc2c1 34a_100011215586_100000746330 [0,2,0,0,0,0|1,0,0]=3 17208 B18R2.9737 OCCCCCOc1ccc2ncccc2c1 7a_100011215586_100000746330 [0,2,0,0,0,0|1,0,0]=3 17209 B18R2.9737 OCCCCCOc1ccc2nccnc2c1 34a_100000694412_100000746330 [0,2,0,0,0,0|2,0,0]=4 17210 B18R2.9737 OCCCCCOc1cnc2ccccc2c1 34a_100011934006_100000746330 [0,2,0,0,0,0|1,0,0]=3 17211 B18R2.9737 OCCCCCOc1cnc2ccccc2c1 7a_100011934006_100000746330 [0,2,0,0,0,0|1,0,0]=3 17212 B18R2.9737 OCCCCCSc1cc2ccccc2cn1 62a_100000746330_100000047361 [0,2,0,0,0,0|1,1,0]=4 17213 B18R2.9737 OCCCCCSc1cc2ccccc2cn1 62a_100009816522_100000746330 [0,2,0,0,0,0|1,1,0]=4 17214 B18R2.9737 OCCCCCSc1ccc2ccccc2c1 62a_100000746330_100000233703 [0,2,0,0,0,0|0,1,0]=3 17215 B18R2.9737 OCCCCCSc1ccc2ccccc2n1 62a_100000746330_100011291633 [0,2,0,0,0,0|1,1,0]=4 17216 B18R2.9737 OCCCCCSc1ccc2ccccc2n1 62a_100011291633_100000746330 [0,2,0,0,0,0|1,1,0]=4 17217 B18R2.9737 OCCCCCSc1ccc2cccnc2c1 62a_100000746330_100009816655 [0,2,0,0,0,0|1,1,0]=4 17218 B18R2.9737 OCCCCCSc1ccc2ccncc2c1 62a_100000686496_100000746330 [0,2,0,0,0,0|1,1,0]=4 17219 B18R2.9737 OCCCCCSc1ccc2ccncc2c1 62a_100000746330_100000686496 [0,2,0,0,0,0|1,1,0]=4 17220 B18R2.9737 OCCCCCSc1ccc2cnccc2c1 62a_100000746330_100009816743 [0,2,0,0,0,0|1,1,0]=4 17221 B18R2.9737 OCCCCCSc1ccc2cnccc2c1 62a_100009816743_100000746330 [0,2,0,0,0,0|1,1,0]=4 17222 B18R2.9737 OCCCCCSc1ccc2ncccc2c1 62a_100000746330_100011215947 [0,2,0,0,0,0|1,1,0]=4 17223 B18R2.9737 OCCCCCSc1ccc2ncccc2c1 62a_100011215947_100000746330 [0,2,0,0,0,0|1,1,0]=4 17224 B18R2.9737 OCCCCCSc1cnc2ccccc2c1 62a_100000746330_100000737414 [0,2,0,0,0,0|1,1,0]=4 17225 B18R2.9737 OCCCCNCc1cc2ccccc2cn1 207a_100000750430_100000059776 [0,2,0,0,0,0|2,0,0]=4 17226 B18R2.9737 OCCCCNCc1cc2ccccc2cn1 2230a_100000750430_100009869231 [0,2,0,0,0,0|2,0,0]=4 17227 B18R2.9737 OCCCCNCc1cc2ccccc2cn1 270004a_100000750430_100000059776 [0,2,0,0,0,0|2,0,0]=4 17228 B18R2.9737 OCCCCNCc1cc2ccccc2cn1 34a_100000750430_100009869231 [0,2,0,0,0,0|2,0,0]=4 17229 B18R2.9737 OCCCCNCc1ccc2ccccc2c1 207a_100000750430_100000211584 [0,2,0,0,0,0|1,0,0]=3 17230 B18R2.9737 OCCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210776 [0,2,0,0,0,0|1,0,0]=3 17231 B18R2.9737 OCCCCNCc1ccc2ccccc2c1 2230a_100000750430_100011216711 [0,2,0,0,0,0|1,0,0]=3 17232 B18R2.9737 OCCCCNCc1ccc2ccccc2c1 270004a_100000750430_100000211584 [0,2,0,0,0,0|1,0,0]=3 17233 B18R2.9737 OCCCCNCc1ccc2ccccc2c1 34a_100000739491_100011216708 [0,2,0,0,0,0|1,0,0]=3 17234 B18R2.9737 OCCCCNCc1ccc2ccccc2c1 34a_100000750430_100011216711 [0,2,0,0,0,0|1,0,0]=3 17235 B18R2.9737 OCCCCNCc1ccc2ccccc2n1 207a_100000750430_100000759686 [0,2,0,0,0,0|2,0,0]=4 17236 B18R2.9737 OCCCCNCc1ccc2ccccc2n1 2230a_100000750430_100000737579 [0,2,0,0,0,0|2,0,0]=4 17237 B18R2.9737 OCCCCNCc1ccc2ccccc2n1 270004a_100000750430_100000759686 [0,2,0,0,0,0|2,0,0]=4 17238 B18R2.9737 OCCCCNCc1ccc2ccccc2n1 34a_100000750430_100000737579 [0,2,0,0,0,0|2,0,0]=4 17239 B18R2.9737 OCCCCNCc1ccc2cccnc2c1 207a_100000750430_100011784159 [0,2,0,0,0,0|2,0,0]=4 17240 B18R2.9737 OCCCCNCc1ccc2cccnc2c1 270004a_100000750430_100011784159 [0,2,0,0,0,0|2,0,0]=4 17241 B18R2.9737 OCCCCNCc1ccc2cnccc2c1 207a_100000750430_100000068276 [0,2,0,0,0,0|2,0,0]=4 17242 B18R2.9737 OCCCCNCc1ccc2cnccc2c1 2230a_100000750430_100020605334 [0,2,0,0,0,0|2,0,0]=4 17243 B18R2.9737 OCCCCNCc1ccc2cnccc2c1 270004a_100000750430_100000068276 [0,2,0,0,0,0|2,0,0]=4 17244 B18R2.9737 OCCCCNCc1ccc2cnccc2c1 34a_100000750430_100020605334 [0,2,0,0,0,0|2,0,0]=4 17245 B18R2.9737 OCCCCNCc1ccc2ncccc2c1 207a_100000750430_100000211315 [0,2,0,0,0,0|2,0,0]=4 17246 B18R2.9737 OCCCCNCc1ccc2ncccc2c1 2230a_100000750430_100000703657 [0,2,0,0,0,0|2,0,0]=4 17247 B18R2.9737 OCCCCNCc1ccc2ncccc2c1 270004a_100000750430_100000211315 [0,2,0,0,0,0|2,0,0]=4 17248 B18R2.9737 OCCCCNCc1ccc2ncccc2c1 34a_100000238500_100011216708 [0,2,0,0,0,0|2,0,0]=4 17249 B18R2.9737 OCCCCNCc1ccc2ncccc2c1 34a_100000750430_100000703657 [0,2,0,0,0,0|2,0,0]=4 17250 B18R2.9737 OCCCCNCc1cnc2ccccc2c1 207a_100000750430_100000750898 [0,2,0,0,0,0|2,0,0]=4 17251 B18R2.9737 OCCCCNCc1cnc2ccccc2c1 270004a_100000750430_100000750898 [0,2,0,0,0,0|2,0,0]=4 17252 B18R2.9737 OCCCCNCc1cnc2ccccc2c1 34a_100000742225_100011216708 [0,2,0,0,0,0|2,0,0]=4 17253 B18R2.9737 OCCCCOCc1ccc2ccccc2c1 34a_100011215330_100011216708 [0,2,0,0,0,0|0,0,0]=2 17254 B18R2.9737 OCCCCOCc1ccc2ccccc2c1 7a_100011215330_100000210776 [0,2,0,0,0,0|0,0,0]=2 17255 B18R2.9737 OCCCCOCc1ccc2ncccc2c1 34a_100011315636_100011216708 [0,2,0,0,0,0|1,0,0]=3 17256 B18R2.9737 OCCCCOCc1cnc2ccccc2c1 34a_100011258773_100011216708 [0,2,0,0,0,0|1,0,0]=3 17257 B18R2.9737 OCCCCSCc1cc2ccccc2cn1 62a_100000210776_100009869231 [0,2,0,0,0,0|1,1,0]=4 17258 B18R2.9737 OCCCCSCc1cc2ccccc2cn1 62a_100009869231_100000210776 [0,2,0,0,0,0|1,1,0]=4 17259 B18R2.9737 OCCCCSCc1ccc2ccccc2c1 62a_100000210776_100011216711 [0,2,0,0,0,0|0,1,0]=3 17260 B18R2.9737 OCCCCSCc1ccc2ccccc2c1 62a_100011216711_100000210776 [0,2,0,0,0,0|0,1,0]=3 17261 B18R2.9737 OCCCCSCc1ccc2ccccc2n1 62a_100000210776_100000737579 [0,2,0,0,0,0|1,1,0]=4 17262 B18R2.9737 OCCCCSCc1ccc2ccccc2n1 62a_100000737579_100000210776 [0,2,0,0,0,0|1,1,0]=4 17263 B18R2.9737 OCCCCSCc1ccc2cnccc2c1 62a_100000210776_100020605334 [0,2,0,0,0,0|1,1,0]=4 17264 B18R2.9737 OCCCCSCc1ccc2cnccc2c1 62a_100020605334_100000210776 [0,2,0,0,0,0|1,1,0]=4 17265 B18R2.9737 OCCCCSCc1ccc2ncccc2c1 62a_100000210776_100000703657 [0,2,0,0,0,0|1,1,0]=4 17266 B18R2.9737 OCCCCSCc1ccc2ncccc2c1 62a_100000703657_100000210776 [0,2,0,0,0,0|1,1,0]=4 17267 B18R2.9737 OCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000230001 [0,2,0,0,0,0|1,0,0]=3 17268 B18R2.9737 OCCCNCCc1ccc2ccccc2c1 34a_100000746582_100000230001 [0,2,0,0,0,0|1,0,0]=3 17269 B18R2.9737 OCCCOCCc1ccc2ccccc2c1 34a_100000755654_100000230001 [0,2,0,0,0,0|1,0,0]=3 17270 B18R2.9737 OCCCOCCc1ccc2ccccc2c1 7a_100000755654_100011215043 [0,2,0,0,0,0|1,0,0]=3 17271 B18R2.9737 OCCCOCCc1ccc2ccccc2n1 34a_100011996444_100000230001 [0,2,0,0,0,0|2,0,0]=4 17272 B18R2.9737 OCCOCCNc1ccc2ccccc2c1 34a_100000211940_100000692535 [0,2,0,0,0,0|1,0,0]=3 17273 B18R2.9737 OCCOCCNc1ccc2ccccc2c1 7a_100000211940_100011215305 [0,2,0,0,0,0|1,0,0]=3 17274 B18R2.9737 OCCOCCNc1ccc2ccccc2n1 27a_100000211614_100011291633 [0,2,0,0,0,0|2,0,0]=4 17275 B18R2.9737 OCCOCCNc1ccc2cccnc2c1 34a_100102887122_100000692535 [0,2,0,0,0,0|2,0,0]=4 17276 B18R2.9737 OCCOCCNc1ccc2cnccc2c1 34a_100000039641_100000692535 [0,2,0,0,0,0|2,0,0]=4 17277 B18R2.9737 OCCOCCNc1ccc2ncccc2c1 34a_100011198106_100000692535 [0,2,0,0,0,0|2,0,0]=4 17278 B18R2.9737 OCCOCCOc1ccc2ccccc2c1 34a_100000185828_100000692535 [0,2,0,0,0,0|0,0,0]=2 17279 B18R2.9737 OCCOCCOc1ccc2ccccc2c1 34a_200011219602_100000211926 [0,2,0,0,0,0|0,0,0]=2 17280 B18R2.9737 OCCOCCOc1ccc2ccccc2c1 7a_100000185828_100011215305 [0,2,0,0,0,0|0,0,0]=2 17281 B18R2.9737 OCCOCCOc1ccc2ccccc2c1 7a_200011219602_100000211926 [0,2,0,0,0,0|0,0,0]=2 17282 B18R2.9737 OCCOCCOc1ccc2cccnc2c1 34a_100011216045_100000692535 [0,2,0,0,0,0|1,0,0]=3 17283 B18R2.9737 OCCOCCOc1ccc2ccncc2c1 7a_100000752006_100011215305 [0,2,0,0,0,0|1,0,0]=3 17284 B18R2.9737 OCCOCCOc1ccc2cnccc2c1 34a_100000046372_100000692535 [0,2,0,0,0,0|1,0,0]=3 17285 B18R2.9737 OCCOCCOc1ccc2cnccc2c1 7a_100000046372_100011215305 [0,2,0,0,0,0|1,0,0]=3 17286 B18R2.9737 OCCOCCOc1ccc2ncccc2c1 34a_100011215586_100000692535 [0,2,0,0,0,0|1,0,0]=3 17287 B18R2.9737 OCCOCCOc1ccc2ncccc2c1 7a_100011215586_100011215305 [0,2,0,0,0,0|1,0,0]=3 17288 B18R2.9737 OCCOCCOc1ccc2nccnc2c1 34a_100000694412_100000692535 [0,2,0,0,0,0|2,0,0]=4 17289 B18R2.9737 OCCOCCOc1cnc2ccccc2c1 34a_100011934006_100000692535 [0,2,0,0,0,0|1,0,0]=3 17290 B18R2.9737 OCCOCCOc1cnc2ccccc2c1 7a_100011934006_100011215305 [0,2,0,0,0,0|1,0,0]=3 17291 B18R2.9737 OCCOCCSc1cc2ccccc2cn1 62a_100009816522_100011215305 [0,2,0,0,0,0|1,1,0]=4 17292 B18R2.9737 OCCOCCSc1cc2ccccc2cn1 62a_100011215305_100000047361 [0,2,0,0,0,0|1,1,0]=4 17293 B18R2.9737 OCCOCCSc1ccc2ccccc2c1 62a_100011215305_100000233703 [0,2,0,0,0,0|0,1,0]=3 17294 B18R2.9737 OCCOCCSc1ccc2ccccc2n1 62a_100011215305_100011291633 [0,2,0,0,0,0|1,1,0]=4 17295 B18R2.9737 OCCOCCSc1ccc2ccccc2n1 62a_100011291633_100011215305 [0,2,0,0,0,0|1,1,0]=4 17296 B18R2.9737 OCCOCCSc1ccc2cccnc2c1 62a_100011215305_100009816655 [0,2,0,0,0,0|1,1,0]=4 17297 B18R2.9737 OCCOCCSc1ccc2ccncc2c1 62a_100000686496_100011215305 [0,2,0,0,0,0|1,1,0]=4 17298 B18R2.9737 OCCOCCSc1ccc2ccncc2c1 62a_100011215305_100000686496 [0,2,0,0,0,0|1,1,0]=4 17299 B18R2.9737 OCCOCCSc1ccc2cnccc2c1 62a_100009816743_100011215305 [0,2,0,0,0,0|1,1,0]=4 17300 B18R2.9737 OCCOCCSc1ccc2cnccc2c1 62a_100011215305_100009816743 [0,2,0,0,0,0|1,1,0]=4 17301 B18R2.9737 OCCOCCSc1ccc2ncccc2c1 62a_100011215305_100011215947 [0,2,0,0,0,0|1,1,0]=4 17302 B18R2.9737 OCCOCCSc1ccc2ncccc2c1 62a_100011215947_100011215305 [0,2,0,0,0,0|1,1,0]=4 17303 B18R2.9737 OCCOCCSc1cnc2ccccc2c1 62a_100011215305_100000737414 [0,2,0,0,0,0|1,1,0]=4 17304 B18R2.9737 OCCSCCNc1ccc2ccccc2n1 27a_100011219999_100011291633 [0,2,0,0,0,0|2,0,0]=4 17305 B18R2.9909 C=C(Br)CCOCc1ccc2ccccc2c1 34a_100009813270_100011216711 [0,2,0,0,0,0|0,0,2]=4 17306 B18R2.9909 C=C(C)CCNCc1ccc2ccccc2c1 2230a_100000739491_100000730704 [0,2,0,0,0,0|1,0,1]=4 17307 B18R2.9909 C=C(C)CCNCc1ccc2ccccc2c1 34a_100000739491_100000730704 [0,2,0,0,0,0|1,0,1]=4 17308 B18R2.9909 C=C(C)CCOCc1cc2ccccc2cn1 34a_100000764851_100009869231 [0,2,0,0,0,0|1,0,1]=4 17309 B18R2.9909 C=C(C)CCOCc1ccc2ccccc2c1 34a_100000764851_100011216711 [0,2,0,0,0,0|0,0,1]=3 17310 B18R2.9909 C=C(C)CCOCc1ccc2ccccc2c1 34a_100011215330_100000730704 [0,2,0,0,0,0|0,0,1]=3 17311 B18R2.9909 C=C(C)CCOCc1ccc2ccccc2c1 7a_100011215330_100000730704 [0,2,0,0,0,0|0,0,1]=3 17312 B18R2.9909 C=C(C)CCOCc1ccc2ccccc2n1 34a_100000764851_100000737579 [0,2,0,0,0,0|1,0,1]=4 17313 B18R2.9909 C=C(C)CCOCc1ccc2cnccc2c1 34a_100000764851_100020605334 [0,2,0,0,0,0|1,0,1]=4 17314 B18R2.9909 C=C(C)CCOCc1ccc2ncccc2c1 34a_100000764851_100000703657 [0,2,0,0,0,0|1,0,1]=4 17315 B18R2.9909 C=C(C)CCOCc1ccc2ncccc2c1 34a_100011315636_100000730704 [0,2,0,0,0,0|1,0,1]=4 17316 B18R2.9909 C=C(C)CCOCc1cnc2ccccc2c1 34a_100011258773_100000730704 [0,2,0,0,0,0|1,0,1]=4 17317 B18R2.9909 C=C(C)CNCCc1ccc2ccccc2c1 2230a_100000746582_100000748629 [0,2,0,0,0,0|1,0,1]=4 17318 B18R2.9909 C=C(C)CNCCc1ccc2ccccc2c1 34a_100000746582_100000748629 [0,2,0,0,0,0|1,0,1]=4 17319 B18R2.9909 C=C(C)COCCc1ccc2ccccc2c1 34a_100000755654_100000748629 [0,2,0,0,0,0|1,0,1]=4 17320 B18R2.9909 C=C(C)COCCc1ccc2ccccc2c1 7a_100000755654_100000748629 [0,2,0,0,0,0|1,0,1]=4 17321 B18R2.9909 CC(=CCCNc1ccc2ccccc2c1)C 34a_100000211940_100011217483 [0,2,0,0,0,0|1,0,1]=4 17322 B18R2.9909 CC(=CCCNc1ccc2ccccc2c1)C 7a_100000211940_100011217483 [0,2,0,0,0,0|1,0,1]=4 17323 B18R2.9909 CC(=CCCOc1ccc2ccccc2c1)C 34a_100000185828_100011217483 [0,2,0,0,0,0|0,0,1]=3 17324 B18R2.9909 CC(=CCCOc1ccc2ccccc2c1)C 7a_100000185828_100011217483 [0,2,0,0,0,0|0,0,1]=3 17325 B18R2.9909 CC(=CCCOc1ccc2cccnc2c1)C 34a_100011216045_100011217483 [0,2,0,0,0,0|1,0,1]=4 17326 B18R2.9909 CC(=CCCOc1ccc2ccncc2c1)C 7a_100000752006_100011217483 [0,2,0,0,0,0|1,0,1]=4 17327 B18R2.9909 CC(=CCCOc1ccc2cnccc2c1)C 34a_100000046372_100011217483 [0,2,0,0,0,0|1,0,1]=4 17328 B18R2.9909 CC(=CCCOc1ccc2cnccc2c1)C 7a_100000046372_100011217483 [0,2,0,0,0,0|1,0,1]=4 17329 B18R2.9909 CC(=CCCOc1ccc2ncccc2c1)C 34a_100011215586_100011217483 [0,2,0,0,0,0|1,0,1]=4 17330 B18R2.9909 CC(=CCCOc1ccc2ncccc2c1)C 7a_100011215586_100011217483 [0,2,0,0,0,0|1,0,1]=4 17331 B18R2.9909 CC(=CCCOc1cnc2ccccc2c1)C 34a_100011934006_100011217483 [0,2,0,0,0,0|1,0,1]=4 17332 B18R2.9909 CC(=CCCOc1cnc2ccccc2c1)C 7a_100011934006_100011217483 [0,2,0,0,0,0|1,0,1]=4 17333 B18R2.9909 CC(=CCOCc1ccc2ccccc2c1)C 34a_100000753907_100011216711 [0,2,0,0,0,0|0,0,2]=4 17334 B18R2.9909 CC(=CCOCc1ccc2ccccc2c1)C 34a_100011215330_100000761012 [0,2,0,0,0,0|0,0,2]=4 17335 B18R2.9909 CC(=CCOCc1ccc2ccccc2c1)C 7a_100011215330_100000761012 [0,2,0,0,0,0|0,0,2]=4 17336 B18R2.9909 CC(=O)CCCNc1ccc2ccccc2c1 34a_100000211940_100000685027 [0,2,0,0,0,0|1,0,0]=3 17337 B18R2.9909 CC(=O)CCCNc1ccc2ccccc2c1 7a_100000211940_100011215641 [0,2,0,0,0,0|1,0,0]=3 17338 B18R2.9909 CC(=O)CCCNc1ccc2cccnc2c1 34a_100102887122_100000685027 [0,2,0,0,0,0|2,0,0]=4 17339 B18R2.9909 CC(=O)CCCNc1ccc2cnccc2c1 34a_100000039641_100000685027 [0,2,0,0,0,0|2,0,0]=4 17340 B18R2.9909 CC(=O)CCCNc1ccc2ncccc2c1 34a_100011198106_100000685027 [0,2,0,0,0,0|2,0,0]=4 17341 B18R2.9909 CC(=O)CCCOc1ccc2ccccc2c1 1458a_100000070787_100000750887 [0,2,0,0,0,0|0,0,0]=2 17342 B18R2.9909 CC(=O)CCCOc1ccc2ccccc2c1 34a_100000185828_100000685027 [0,2,0,0,0,0|0,0,0]=2 17343 B18R2.9909 CC(=O)CCCOc1ccc2ccccc2c1 7a_100000185828_100011215641 [0,2,0,0,0,0|0,0,0]=2 17344 B18R2.9909 CC(=O)CCCOc1ccc2cccnc2c1 34a_100011216045_100000685027 [0,2,0,0,0,0|1,0,0]=3 17345 B18R2.9909 CC(=O)CCCOc1ccc2ccncc2c1 7a_100000752006_100011215641 [0,2,0,0,0,0|1,0,0]=3 17346 B18R2.9909 CC(=O)CCCOc1ccc2cnccc2c1 34a_100000046372_100000685027 [0,2,0,0,0,0|1,0,0]=3 17347 B18R2.9909 CC(=O)CCCOc1ccc2cnccc2c1 7a_100000046372_100011215641 [0,2,0,0,0,0|1,0,0]=3 17348 B18R2.9909 CC(=O)CCCOc1ccc2ncccc2c1 34a_100011215586_100000685027 [0,2,0,0,0,0|1,0,0]=3 17349 B18R2.9909 CC(=O)CCCOc1ccc2ncccc2c1 7a_100011215586_100011215641 [0,2,0,0,0,0|1,0,0]=3 17350 B18R2.9909 CC(=O)CCCOc1ccc2nccnc2c1 34a_100000694412_100000685027 [0,2,0,0,0,0|2,0,0]=4 17351 B18R2.9909 CC(=O)CCCOc1cnc2ccccc2c1 34a_100011934006_100000685027 [0,2,0,0,0,0|1,0,0]=3 17352 B18R2.9909 CC(=O)CCCOc1cnc2ccccc2c1 7a_100011934006_100011215641 [0,2,0,0,0,0|1,0,0]=3 17353 B18R2.9909 CC(=O)CCCSc1cc2ccccc2cn1 62a_100009816522_100011215641 [0,2,0,0,0,0|1,1,0]=4 17354 B18R2.9909 CC(=O)CCCSc1cc2ccccc2cn1 62a_100011215641_100000047361 [0,2,0,0,0,0|1,1,0]=4 17355 B18R2.9909 CC(=O)CCCSc1ccc2ccccc2c1 62a_100011215641_100000233703 [0,2,0,0,0,0|0,1,0]=3 17356 B18R2.9909 CC(=O)CCCSc1ccc2ccccc2n1 62a_100011215641_100011291633 [0,2,0,0,0,0|1,1,0]=4 17357 B18R2.9909 CC(=O)CCCSc1ccc2ccccc2n1 62a_100011291633_100011215641 [0,2,0,0,0,0|1,1,0]=4 17358 B18R2.9909 CC(=O)CCCSc1ccc2cccnc2c1 62a_100011215641_100009816655 [0,2,0,0,0,0|1,1,0]=4 17359 B18R2.9909 CC(=O)CCCSc1ccc2ccncc2c1 62a_100000686496_100011215641 [0,2,0,0,0,0|1,1,0]=4 17360 B18R2.9909 CC(=O)CCCSc1ccc2ccncc2c1 62a_100011215641_100000686496 [0,2,0,0,0,0|1,1,0]=4 17361 B18R2.9909 CC(=O)CCCSc1ccc2cnccc2c1 62a_100009816743_100011215641 [0,2,0,0,0,0|1,1,0]=4 17362 B18R2.9909 CC(=O)CCCSc1ccc2cnccc2c1 62a_100011215641_100009816743 [0,2,0,0,0,0|1,1,0]=4 17363 B18R2.9909 CC(=O)CCCSc1ccc2ncccc2c1 62a_100011215641_100011215947 [0,2,0,0,0,0|1,1,0]=4 17364 B18R2.9909 CC(=O)CCCSc1ccc2ncccc2c1 62a_100011215947_100011215641 [0,2,0,0,0,0|1,1,0]=4 17365 B18R2.9909 CC(=O)CCCSc1cnc2ccccc2c1 62a_100011215641_100000737414 [0,2,0,0,0,0|1,1,0]=4 17366 B18R2.9909 CC(=O)CCOCc1cc2ccccc2cn1 34a_100000759926_100009869231 [0,2,0,0,0,0|1,0,1]=4 17367 B18R2.9909 CC(=O)CCOCc1cc2ccccc2cn1 7a_100000759926_100009869231 [0,2,0,0,0,0|1,0,1]=4 17368 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2c1 34a_100000759926_100011216711 [0,2,0,0,0,0|0,0,1]=3 17369 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2c1 7a_100000759926_100011216711 [0,2,0,0,0,0|0,0,1]=3 17370 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2c1 7a_100011215330_100000053229 [0,2,0,0,0,0|0,0,1]=3 17371 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2n1 34a_100000759926_100000737579 [0,2,0,0,0,0|1,0,1]=4 17372 B18R2.9909 CC(=O)CCOCc1ccc2ccccc2n1 7a_100000759926_100000737579 [0,2,0,0,0,0|1,0,1]=4 17373 B18R2.9909 CC(=O)CCOCc1ccc2cnccc2c1 34a_100000759926_100020605334 [0,2,0,0,0,0|1,0,1]=4 17374 B18R2.9909 CC(=O)CCOCc1ccc2cnccc2c1 7a_100000759926_100020605334 [0,2,0,0,0,0|1,0,1]=4 17375 B18R2.9909 CC(=O)CCOCc1ccc2ncccc2c1 34a_100000759926_100000703657 [0,2,0,0,0,0|1,0,1]=4 17376 B18R2.9909 CC(=O)CCOCc1ccc2ncccc2c1 7a_100000759926_100000703657 [0,2,0,0,0,0|1,0,1]=4 17377 B18R2.9909 CC(=O)CCSCc1ccc2ccccc2c1 62a_100000053229_100011216711 [0,2,0,0,0,0|0,1,1]=4 17378 B18R2.9909 CC(=O)CCSCc1ccc2ccccc2c1 62a_100011216711_100000053229 [0,2,0,0,0,0|0,1,1]=4 17379 B18R2.9909 CC(=O)NCCNc1ccc2ccccc2c1 7a_100000211940_100000189650 [0,2,0,0,0,0|1,0,1]=4 17380 B18R2.9909 CC(=O)NCCOc1ccc2ccccc2c1 7a_100000185828_100000189650 [0,2,0,0,0,0|0,0,1]=3 17381 B18R2.9909 CC(=O)NCCOc1ccc2ccncc2c1 7a_100000752006_100000189650 [0,2,0,0,0,0|1,0,1]=4 17382 B18R2.9909 CC(=O)NCCOc1ccc2cnccc2c1 7a_100000046372_100000189650 [0,2,0,0,0,0|1,0,1]=4 17383 B18R2.9909 CC(=O)NCCOc1ccc2ncccc2c1 7a_100011215586_100000189650 [0,2,0,0,0,0|1,0,1]=4 17384 B18R2.9909 CC(=O)NCCOc1cnc2ccccc2c1 7a_100011934006_100000189650 [0,2,0,0,0,0|1,0,1]=4 17385 B18R2.9909 CC(=O)NCCSc1ccc2ccccc2c1 62a_100000189650_100000233703 [0,2,0,0,0,0|0,1,1]=4 17386 B18R2.9909 CC(=O)OCCNc1ccc2ccccc2c1 34a_100000211940_100009814007 [0,2,0,0,0,0|1,0,1]=4 17387 B18R2.9909 CC(=O)OCCNc1ccc2ccccc2c1 7a_100000211940_100009814007 [0,2,0,0,0,0|1,0,1]=4 17388 B18R2.9909 CC(=O)OCCOc1ccc2ccccc2c1 34a_100000185828_100009814007 [0,2,0,0,0,0|0,0,1]=3 17389 B18R2.9909 CC(=O)OCCOc1ccc2ccccc2c1 7a_100000185828_100009814007 [0,2,0,0,0,0|0,0,1]=3 17390 B18R2.9909 CC(=O)OCCOc1ccc2cccnc2c1 34a_100011216045_100009814007 [0,2,0,0,0,0|1,0,1]=4 17391 B18R2.9909 CC(=O)OCCOc1ccc2ccncc2c1 7a_100000752006_100009814007 [0,2,0,0,0,0|1,0,1]=4 17392 B18R2.9909 CC(=O)OCCOc1ccc2cnccc2c1 34a_100000046372_100009814007 [0,2,0,0,0,0|1,0,1]=4 17393 B18R2.9909 CC(=O)OCCOc1ccc2cnccc2c1 7a_100000046372_100009814007 [0,2,0,0,0,0|1,0,1]=4 17394 B18R2.9909 CC(=O)OCCOc1ccc2ncccc2c1 34a_100011215586_100009814007 [0,2,0,0,0,0|1,0,1]=4 17395 B18R2.9909 CC(=O)OCCOc1ccc2ncccc2c1 7a_100011215586_100009814007 [0,2,0,0,0,0|1,0,1]=4 17396 B18R2.9909 CC(=O)OCCOc1cnc2ccccc2c1 34a_100011934006_100009814007 [0,2,0,0,0,0|1,0,1]=4 17397 B18R2.9909 CC(=O)OCCOc1cnc2ccccc2c1 7a_100011934006_100009814007 [0,2,0,0,0,0|1,0,1]=4 17398 B18R2.9909 CC(=O)OCCSc1ccc2ccccc2c1 62a_100009814007_100000233703 [0,2,0,0,0,0|0,1,1]=4 17399 B18R2.9909 CC(=O)OCOCc1ccc2ccccc2c1 34a_100011215330_100009813279 [0,2,0,0,0,0|1,0,1]=4 17400 B18R2.9909 CC(Br)CCOCc1cc2ccccc2cn1 34a_100009893172_100009869231 [0,2,0,0,0,0|1,0,0]=3 17401 B18R2.9909 CC(Br)CCOCc1ccc2ccccc2c1 34a_100009893172_100011216711 [0,2,0,0,0,0|0,0,0]=2 17402 B18R2.9909 CC(Br)CCOCc1ccc2ccccc2n1 34a_100009893172_100000737579 [0,2,0,0,0,0|1,0,0]=3 17403 B18R2.9909 CC(Br)CCOCc1ccc2cnccc2c1 34a_100009893172_100020605334 [0,2,0,0,0,0|1,0,0]=3 17404 B18R2.9909 CC(Br)CCOCc1ccc2ncccc2c1 34a_100009893172_100000703657 [0,2,0,0,0,0|1,0,0]=3 17405 B18R2.9909 CC(Br)CCOCc1ncc2ccccc2n1 34a_100009893172_100009868571 [0,2,0,0,0,0|2,0,0]=4 17406 B18R2.9909 CC(C)CC=NNc1ccc2ccccc2c1 4a_100016987534_100000185833 [0,2,0,0,0,0|1,0,1]=4 17407 B18R2.9909 CC(C)CCCNc1ccc2ccccc2c1 34a_100000211940_100011214892 [0,2,0,0,0,0|1,0,0]=3 17408 B18R2.9909 CC(C)CCCNc1ccc2ccccc2c1 7a_100000211940_100011214892 [0,2,0,0,0,0|1,0,0]=3 17409 B18R2.9909 CC(C)CCCNc1ccc2ccccc2n1 27a_200000737386_100011291633 [0,2,0,0,0,0|2,0,0]=4 17410 B18R2.9909 CC(C)CCCNc1ccc2cccnc2c1 34a_100102887122_100011214892 [0,2,0,0,0,0|2,0,0]=4 17411 B18R2.9909 CC(C)CCCNc1ccc2cnccc2c1 34a_100000039641_100011214892 [0,2,0,0,0,0|2,0,0]=4 17412 B18R2.9909 CC(C)CCCNc1ccc2ncccc2c1 34a_100011198106_100011214892 [0,2,0,0,0,0|2,0,0]=4 17413 B18R2.9909 CC(C)CCCOc1ccc2ccccc2c1 34a_100000185828_100011214892 [0,2,0,0,0,0|0,0,0]=2 17414 B18R2.9909 CC(C)CCCOc1ccc2ccccc2c1 7a_100000185828_100011214892 [0,2,0,0,0,0|0,0,0]=2 17415 B18R2.9909 CC(C)CCCOc1ccc2cccnc2c1 34a_100011216045_100011214892 [0,2,0,0,0,0|1,0,0]=3 17416 B18R2.9909 CC(C)CCCOc1ccc2ccncc2c1 7a_100000752006_100011214892 [0,2,0,0,0,0|1,0,0]=3 17417 B18R2.9909 CC(C)CCCOc1ccc2cnccc2c1 34a_100000046372_100011214892 [0,2,0,0,0,0|1,0,0]=3 17418 B18R2.9909 CC(C)CCCOc1ccc2cnccc2c1 7a_100000046372_100011214892 [0,2,0,0,0,0|1,0,0]=3 17419 B18R2.9909 CC(C)CCCOc1ccc2ncccc2c1 34a_100011215586_100011214892 [0,2,0,0,0,0|1,0,0]=3 17420 B18R2.9909 CC(C)CCCOc1ccc2ncccc2c1 7a_100011215586_100011214892 [0,2,0,0,0,0|1,0,0]=3 17421 B18R2.9909 CC(C)CCCOc1ccc2nccnc2c1 34a_100000694412_100011214892 [0,2,0,0,0,0|2,0,0]=4 17422 B18R2.9909 CC(C)CCCOc1cnc2ccccc2c1 34a_100011934006_100011214892 [0,2,0,0,0,0|1,0,0]=3 17423 B18R2.9909 CC(C)CCCOc1cnc2ccccc2c1 7a_100011934006_100011214892 [0,2,0,0,0,0|1,0,0]=3 17424 B18R2.9909 CC(C)CCCSc1cc2ccccc2cn1 62a_100009816522_100011214892 [0,2,0,0,0,0|1,1,0]=4 17425 B18R2.9909 CC(C)CCCSc1cc2ccccc2cn1 62a_100011214892_100000047361 [0,2,0,0,0,0|1,1,0]=4 17426 B18R2.9909 CC(C)CCCSc1ccc2ccccc2n1 62a_100011214892_100011291633 [0,2,0,0,0,0|1,1,0]=4 17427 B18R2.9909 CC(C)CCCSc1ccc2ccccc2n1 62a_100011291633_100011214892 [0,2,0,0,0,0|1,1,0]=4 17428 B18R2.9909 CC(C)CCCSc1ccc2cccnc2c1 62a_100011214892_100009816655 [0,2,0,0,0,0|1,1,0]=4 17429 B18R2.9909 CC(C)CCCSc1ccc2ccncc2c1 62a_100000686496_100011214892 [0,2,0,0,0,0|1,1,0]=4 17430 B18R2.9909 CC(C)CCCSc1ccc2ccncc2c1 62a_100011214892_100000686496 [0,2,0,0,0,0|1,1,0]=4 17431 B18R2.9909 CC(C)CCCSc1ccc2cnccc2c1 62a_100009816743_100011214892 [0,2,0,0,0,0|1,1,0]=4 17432 B18R2.9909 CC(C)CCCSc1ccc2cnccc2c1 62a_100011214892_100009816743 [0,2,0,0,0,0|1,1,0]=4 17433 B18R2.9909 CC(C)CCCSc1ccc2ncccc2c1 62a_100011214892_100011215947 [0,2,0,0,0,0|1,1,0]=4 17434 B18R2.9909 CC(C)CCCSc1ccc2ncccc2c1 62a_100011215947_100011214892 [0,2,0,0,0,0|1,1,0]=4 17435 B18R2.9909 CC(C)CCCSc1cnc2ccccc2c1 62a_100011214892_100000737414 [0,2,0,0,0,0|1,1,0]=4 17436 B18R2.9909 CC(C)CCNCc1cc2ccccc2cn1 207a_100000210545_100000059776 [0,2,0,0,0,0|2,0,0]=4 17437 B18R2.9909 CC(C)CCNCc1cc2ccccc2cn1 270004a_100000210545_100000059776 [0,2,0,0,0,0|2,0,0]=4 17438 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 207a_100000210545_100000211584 [0,2,0,0,0,0|1,0,0]=3 17439 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210312 [0,2,0,0,0,0|1,0,0]=3 17440 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 269862a_100000739491_100000185833 [0,2,0,0,0,0|1,0,0]=3 17441 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 270004a_100000210545_100000211584 [0,2,0,0,0,0|1,0,0]=3 17442 B18R2.9909 CC(C)CCNCc1ccc2ccccc2c1 34a_100000739491_100000210312 [0,2,0,0,0,0|1,0,0]=3 17443 B18R2.9909 CC(C)CCNCc1ccc2ccccc2n1 207a_100000210545_100000759686 [0,2,0,0,0,0|2,0,0]=4 17444 B18R2.9909 CC(C)CCNCc1ccc2ccccc2n1 270004a_100000210545_100000759686 [0,2,0,0,0,0|2,0,0]=4 17445 B18R2.9909 CC(C)CCNCc1ccc2cccnc2c1 207a_100000210545_100011784159 [0,2,0,0,0,0|2,0,0]=4 17446 B18R2.9909 CC(C)CCNCc1ccc2cccnc2c1 270004a_100000210545_100011784159 [0,2,0,0,0,0|2,0,0]=4 17447 B18R2.9909 CC(C)CCNCc1ccc2cnccc2c1 207a_100000210545_100000068276 [0,2,0,0,0,0|2,0,0]=4 17448 B18R2.9909 CC(C)CCNCc1ccc2cnccc2c1 270004a_100000210545_100000068276 [0,2,0,0,0,0|2,0,0]=4 17449 B18R2.9909 CC(C)CCNCc1ccc2ncccc2c1 207a_100000210545_100000211315 [0,2,0,0,0,0|2,0,0]=4 17450 B18R2.9909 CC(C)CCNCc1ccc2ncccc2c1 269862a_100000238500_100000185833 [0,2,0,0,0,0|2,0,0]=4 17451 B18R2.9909 CC(C)CCNCc1ccc2ncccc2c1 270004a_100000210545_100000211315 [0,2,0,0,0,0|2,0,0]=4 17452 B18R2.9909 CC(C)CCNCc1ccc2ncccc2c1 34a_100000238500_100000210312 [0,2,0,0,0,0|2,0,0]=4 17453 B18R2.9909 CC(C)CCNCc1cnc2ccccc2c1 207a_100000210545_100000750898 [0,2,0,0,0,0|2,0,0]=4 17454 B18R2.9909 CC(C)CCNCc1cnc2ccccc2c1 269862a_100000742225_100000185833 [0,2,0,0,0,0|2,0,0]=4 17455 B18R2.9909 CC(C)CCNCc1cnc2ccccc2c1 270004a_100000210545_100000750898 [0,2,0,0,0,0|2,0,0]=4 17456 B18R2.9909 CC(C)CCNCc1cnc2ccccc2c1 34a_100000742225_100000210312 [0,2,0,0,0,0|2,0,0]=4 17457 B18R2.9909 CC(C)CCOCc1cc2ccccc2cn1 34a_100000210254_100009869231 [0,2,0,0,0,0|1,0,0]=3 17458 B18R2.9909 CC(C)CCOCc1cc2ccccc2cn1 7a_100000210254_100009869231 [0,2,0,0,0,0|1,0,0]=3 17459 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 34a_100000210254_100011216711 [0,2,0,0,0,0|0,0,0]=2 17460 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 34a_100011215330_100000210312 [0,2,0,0,0,0|0,0,0]=2 17461 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 7a_100000210254_100011216711 [0,2,0,0,0,0|0,0,0]=2 17462 B18R2.9909 CC(C)CCOCc1ccc2ccccc2c1 7a_100011215330_100000210626 [0,2,0,0,0,0|0,0,0]=2 17463 B18R2.9909 CC(C)CCOCc1ccc2ccccc2n1 34a_100000210254_100000737579 [0,2,0,0,0,0|1,0,0]=3 17464 B18R2.9909 CC(C)CCOCc1ccc2ccccc2n1 7a_100000210254_100000737579 [0,2,0,0,0,0|1,0,0]=3 17465 B18R2.9909 CC(C)CCOCc1ccc2cnccc2c1 34a_100000210254_100020605334 [0,2,0,0,0,0|1,0,0]=3 17466 B18R2.9909 CC(C)CCOCc1ccc2cnccc2c1 7a_100000210254_100020605334 [0,2,0,0,0,0|1,0,0]=3 17467 B18R2.9909 CC(C)CCOCc1ccc2ncccc2c1 34a_100000210254_100000703657 [0,2,0,0,0,0|1,0,0]=3 17468 B18R2.9909 CC(C)CCOCc1ccc2ncccc2c1 34a_100011315636_100000210312 [0,2,0,0,0,0|1,0,0]=3 17469 B18R2.9909 CC(C)CCOCc1ccc2ncccc2c1 7a_100000210254_100000703657 [0,2,0,0,0,0|1,0,0]=3 17470 B18R2.9909 CC(C)CCOCc1ccc2nccnc2c1 7a_100000210254_200011762199 [0,2,0,0,0,0|2,0,0]=4 17471 B18R2.9909 CC(C)CCOCc1cnc2ccccc2c1 34a_100011258773_100000210312 [0,2,0,0,0,0|1,0,0]=3 17472 B18R2.9909 CC(C)CCOCc1cnc2ccccc2n1 7a_100000210254_200000751123 [0,2,0,0,0,0|2,0,0]=4 17473 B18R2.9909 CC(C)CCOCc1ncc2ccccc2n1 34a_100000210254_100009868571 [0,2,0,0,0,0|2,0,0]=4 17474 B18R2.9909 CC(C)CCOCc1ncc2ccccc2n1 7a_100000210254_100009868571 [0,2,0,0,0,0|2,0,0]=4 17475 B18R2.9909 CC(C)CCSCc1cc2ccccc2cn1 62a_100000210312_100009869231 [0,2,0,0,0,0|1,1,0]=4 17476 B18R2.9909 CC(C)CCSCc1cc2ccccc2cn1 62a_100009869231_100000210312 [0,2,0,0,0,0|1,1,0]=4 17477 B18R2.9909 CC(C)CCSCc1ccc2ccccc2n1 62a_100000210312_100000737579 [0,2,0,0,0,0|1,1,0]=4 17478 B18R2.9909 CC(C)CCSCc1ccc2ccccc2n1 62a_100000737579_100000210312 [0,2,0,0,0,0|1,1,0]=4 17479 B18R2.9909 CC(C)CCSCc1ccc2cnccc2c1 62a_100000210312_100020605334 [0,2,0,0,0,0|1,1,0]=4 17480 B18R2.9909 CC(C)CCSCc1ccc2cnccc2c1 62a_100020605334_100000210312 [0,2,0,0,0,0|1,1,0]=4 17481 B18R2.9909 CC(C)CCSCc1ccc2ncccc2c1 62a_100000210312_100000703657 [0,2,0,0,0,0|1,1,0]=4 17482 B18R2.9909 CC(C)CCSCc1ccc2ncccc2c1 62a_100000703657_100000210312 [0,2,0,0,0,0|1,1,0]=4 17483 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 2230a_100000746582_100000210760 [0,2,0,0,0,0|1,0,0]=3 17484 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 270004a_100000746582_100000210432 [0,2,0,0,0,0|1,0,0]=3 17485 B18R2.9909 CC(C)CNCCc1ccc2ccccc2c1 34a_100000746582_100000210624 [0,2,0,0,0,0|1,0,0]=3 17486 B18R2.9909 CC(C)CNCCc1ccc2ccccc2n1 270004a_100011238595_100000210432 [0,2,0,0,0,0|2,0,0]=4 17487 B18R2.9909 CC(C)COCCc1ccc2ccccc2c1 34a_100000755654_100000210624 [0,2,0,0,0,0|1,0,0]=3 17488 B18R2.9909 CC(C)COCCc1ccc2ccccc2c1 7a_100000755654_100000210760 [0,2,0,0,0,0|1,0,0]=3 17489 B18R2.9909 CC(C)COCCc1ccc2ccccc2n1 34a_100011996444_100000210624 [0,2,0,0,0,0|2,0,0]=4 17490 B18R2.9909 CC(C)OCCNc1ccc2ccccc2c1 34a_100000211940_100000211751 [0,2,0,0,0,0|1,0,0]=3 17491 B18R2.9909 CC(C)OCCNc1ccc2ccccc2c1 7a_100000211940_100000211751 [0,2,0,0,0,0|1,0,0]=3 17492 B18R2.9909 CC(C)OCCNc1ccc2ccccc2n1 27a_100000701111_100011291633 [0,2,0,0,0,0|2,0,0]=4 17493 B18R2.9909 CC(C)OCCNc1ccc2cccnc2c1 34a_100102887122_100000211751 [0,2,0,0,0,0|2,0,0]=4 17494 B18R2.9909 CC(C)OCCNc1ccc2cnccc2c1 34a_100000039641_100000211751 [0,2,0,0,0,0|2,0,0]=4 17495 B18R2.9909 CC(C)OCCNc1ccc2ncccc2c1 34a_100011198106_100000211751 [0,2,0,0,0,0|2,0,0]=4 17496 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 34a_100000185828_100000211751 [0,2,0,0,0,0|0,0,0]=2 17497 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 34a_200011219602_100000210206 [0,2,0,0,0,0|0,0,0]=2 17498 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 7a_100000185828_100000211751 [0,2,0,0,0,0|0,0,0]=2 17499 B18R2.9909 CC(C)OCCOc1ccc2ccccc2c1 7a_200011219602_100000210206 [0,2,0,0,0,0|0,0,0]=2 17500 B18R2.9909 CC(C)OCCOc1ccc2cccnc2c1 34a_100011216045_100000211751 [0,2,0,0,0,0|1,0,0]=3 17501 B18R2.9909 CC(C)OCCOc1ccc2ccncc2c1 7a_100000752006_100000211751 [0,2,0,0,0,0|1,0,0]=3 17502 B18R2.9909 CC(C)OCCOc1ccc2cnccc2c1 34a_100000046372_100000211751 [0,2,0,0,0,0|1,0,0]=3 17503 B18R2.9909 CC(C)OCCOc1ccc2cnccc2c1 7a_100000046372_100000211751 [0,2,0,0,0,0|1,0,0]=3 17504 B18R2.9909 CC(C)OCCOc1ccc2ncccc2c1 34a_100011215586_100000211751 [0,2,0,0,0,0|1,0,0]=3 17505 B18R2.9909 CC(C)OCCOc1ccc2ncccc2c1 7a_100011215586_100000211751 [0,2,0,0,0,0|1,0,0]=3 17506 B18R2.9909 CC(C)OCCOc1ccc2nccnc2c1 34a_100000694412_100000211751 [0,2,0,0,0,0|2,0,0]=4 17507 B18R2.9909 CC(C)OCCOc1cnc2ccccc2c1 34a_100011934006_100000211751 [0,2,0,0,0,0|1,0,0]=3 17508 B18R2.9909 CC(C)OCCOc1cnc2ccccc2c1 7a_100011934006_100000211751 [0,2,0,0,0,0|1,0,0]=3 17509 B18R2.9909 CC(C)OCCSc1cc2ccccc2cn1 62a_100000211751_100000047361 [0,2,0,0,0,0|1,1,0]=4 17510 B18R2.9909 CC(C)OCCSc1cc2ccccc2cn1 62a_100009816522_100000211751 [0,2,0,0,0,0|1,1,0]=4 17511 B18R2.9909 CC(C)OCCSc1ccc2ccccc2c1 62a_100000211751_100000233703 [0,2,0,0,0,0|0,1,0]=3 17512 B18R2.9909 CC(C)OCCSc1ccc2ccccc2n1 62a_100000211751_100011291633 [0,2,0,0,0,0|1,1,0]=4 17513 B18R2.9909 CC(C)OCCSc1ccc2ccccc2n1 62a_100011291633_100000211751 [0,2,0,0,0,0|1,1,0]=4 17514 B18R2.9909 CC(C)OCCSc1ccc2cccnc2c1 62a_100000211751_100009816655 [0,2,0,0,0,0|1,1,0]=4 17515 B18R2.9909 CC(C)OCCSc1ccc2ccncc2c1 62a_100000211751_100000686496 [0,2,0,0,0,0|1,1,0]=4 17516 B18R2.9909 CC(C)OCCSc1ccc2ccncc2c1 62a_100000686496_100000211751 [0,2,0,0,0,0|1,1,0]=4 17517 B18R2.9909 CC(C)OCCSc1ccc2cnccc2c1 62a_100000211751_100009816743 [0,2,0,0,0,0|1,1,0]=4 17518 B18R2.9909 CC(C)OCCSc1ccc2cnccc2c1 62a_100009816743_100000211751 [0,2,0,0,0,0|1,1,0]=4 17519 B18R2.9909 CC(C)OCCSc1ccc2ncccc2c1 62a_100000211751_100011215947 [0,2,0,0,0,0|1,1,0]=4 17520 B18R2.9909 CC(C)OCCSc1ccc2ncccc2c1 62a_100011215947_100000211751 [0,2,0,0,0,0|1,1,0]=4 17521 B18R2.9909 CC(C)OCCSc1cnc2ccccc2c1 62a_100000211751_100000737414 [0,2,0,0,0,0|1,1,0]=4 17522 B18R2.9909 CC(C)OCNCc1ccc2ccccc2c1 2230a_100000739491_100000709892 [0,2,0,0,0,0|2,0,0]=4 17523 B18R2.9909 CC(C)OCNCc1ccc2ccccc2c1 34a_100000739491_100000709892 [0,2,0,0,0,0|2,0,0]=4 17524 B18R2.9909 CC(C)OCOCc1ccc2ccccc2c1 34a_100011215330_100000709892 [0,2,0,0,0,0|1,0,0]=3 17525 B18R2.9909 CC(C)OCOCc1ccc2ncccc2c1 34a_100011315636_100000709892 [0,2,0,0,0,0|2,0,0]=4 17526 B18R2.9909 CC(C)OCOCc1cnc2ccccc2c1 34a_100011258773_100000709892 [0,2,0,0,0,0|2,0,0]=4 17527 B18R2.9909 CC(C)OCSCc1ccc2ccccc2c1 62a_100000709892_100011216711 [0,2,0,0,0,0|1,1,0]=4 17528 B18R2.9909 CC(C)OCSCc1ccc2ccccc2c1 62a_100011216711_100000709892 [0,2,0,0,0,0|1,1,0]=4 17529 B18R2.9909 CC(C)SCCNc1ccc2ccccc2c1 34a_100000211940_100000730970 [0,2,0,0,0,0|1,0,0]=3 17530 B18R2.9909 CC(C)SCCNc1ccc2ccccc2c1 7a_100000211940_100000730970 [0,2,0,0,0,0|1,0,0]=3 17531 B18R2.9909 CC(C)SCCNc1ccc2ccccc2n1 27a_100000731138_100011291633 [0,2,0,0,0,0|2,0,0]=4 17532 B18R2.9909 CC(C)SCCNc1ccc2cccnc2c1 34a_100102887122_100000730970 [0,2,0,0,0,0|2,0,0]=4 17533 B18R2.9909 CC(C)SCCNc1ccc2cnccc2c1 34a_100000039641_100000730970 [0,2,0,0,0,0|2,0,0]=4 17534 B18R2.9909 CC(C)SCCNc1ccc2ncccc2c1 34a_100011198106_100000730970 [0,2,0,0,0,0|2,0,0]=4 17535 B18R2.9909 CC(C)SCCOc1ccc2ccccc2c1 34a_100000185828_100000730970 [0,2,0,0,0,0|0,0,0]=2 17536 B18R2.9909 CC(C)SCCOc1ccc2ccccc2c1 7a_100000185828_100000730970 [0,2,0,0,0,0|0,0,0]=2 17537 B18R2.9909 CC(C)SCCOc1ccc2cccnc2c1 34a_100011216045_100000730970 [0,2,0,0,0,0|1,0,0]=3 17538 B18R2.9909 CC(C)SCCOc1ccc2ccncc2c1 7a_100000752006_100000730970 [0,2,0,0,0,0|1,0,0]=3 17539 B18R2.9909 CC(C)SCCOc1ccc2cnccc2c1 34a_100000046372_100000730970 [0,2,0,0,0,0|1,0,0]=3 17540 B18R2.9909 CC(C)SCCOc1ccc2cnccc2c1 7a_100000046372_100000730970 [0,2,0,0,0,0|1,0,0]=3 17541 B18R2.9909 CC(C)SCCOc1ccc2ncccc2c1 34a_100011215586_100000730970 [0,2,0,0,0,0|1,0,0]=3 17542 B18R2.9909 CC(C)SCCOc1ccc2ncccc2c1 7a_100011215586_100000730970 [0,2,0,0,0,0|1,0,0]=3 17543 B18R2.9909 CC(C)SCCOc1ccc2nccnc2c1 34a_100000694412_100000730970 [0,2,0,0,0,0|2,0,0]=4 17544 B18R2.9909 CC(C)SCCOc1cnc2ccccc2c1 34a_100011934006_100000730970 [0,2,0,0,0,0|1,0,0]=3 17545 B18R2.9909 CC(C)SCCOc1cnc2ccccc2c1 7a_100011934006_100000730970 [0,2,0,0,0,0|1,0,0]=3 17546 B18R2.9909 CC(C)SCCSc1cc2ccccc2cn1 62a_100000730970_100000047361 [0,2,0,0,0,0|1,1,0]=4 17547 B18R2.9909 CC(C)SCCSc1cc2ccccc2cn1 62a_100009816522_100000730970 [0,2,0,0,0,0|1,1,0]=4 17548 B18R2.9909 CC(C)SCCSc1ccc2ccccc2n1 62a_100000730970_100011291633 [0,2,0,0,0,0|1,1,0]=4 17549 B18R2.9909 CC(C)SCCSc1ccc2ccccc2n1 62a_100011291633_100000730970 [0,2,0,0,0,0|1,1,0]=4 17550 B18R2.9909 CC(C)SCCSc1ccc2cccnc2c1 62a_100000730970_100009816655 [0,2,0,0,0,0|1,1,0]=4 17551 B18R2.9909 CC(C)SCCSc1ccc2ccncc2c1 62a_100000686496_100000730970 [0,2,0,0,0,0|1,1,0]=4 17552 B18R2.9909 CC(C)SCCSc1ccc2ccncc2c1 62a_100000730970_100000686496 [0,2,0,0,0,0|1,1,0]=4 17553 B18R2.9909 CC(C)SCCSc1ccc2cnccc2c1 62a_100000730970_100009816743 [0,2,0,0,0,0|1,1,0]=4 17554 B18R2.9909 CC(C)SCCSc1ccc2cnccc2c1 62a_100009816743_100000730970 [0,2,0,0,0,0|1,1,0]=4 17555 B18R2.9909 CC(C)SCCSc1ccc2ncccc2c1 62a_100000730970_100011215947 [0,2,0,0,0,0|1,1,0]=4 17556 B18R2.9909 CC(C)SCCSc1ccc2ncccc2c1 62a_100011215947_100000730970 [0,2,0,0,0,0|1,1,0]=4 17557 B18R2.9909 CC(C)SCCSc1cnc2ccccc2c1 62a_100000730970_100000737414 [0,2,0,0,0,0|1,1,0]=4 17558 B18R2.9909 CC(O)CCCNc1ccc2ccccc2c1 34a_100000211940_200000718107 [0,2,0,0,0,0|1,0,0]=3 17559 B18R2.9909 CC(O)CCCNc1ccc2ccccc2c1 7a_100000211940_200000718107 [0,2,0,0,0,0|1,0,0]=3 17560 B18R2.9909 CC(O)CCCNc1ccc2cccnc2c1 34a_100102887122_200000718107 [0,2,0,0,0,0|2,0,0]=4 17561 B18R2.9909 CC(O)CCCNc1ccc2cnccc2c1 34a_100000039641_200000718107 [0,2,0,0,0,0|2,0,0]=4 17562 B18R2.9909 CC(O)CCCNc1ccc2ncccc2c1 34a_100011198106_200000718107 [0,2,0,0,0,0|2,0,0]=4 17563 B18R2.9909 CC(O)CCCOc1ccc2ccccc2c1 34a_100000185828_200000718107 [0,2,0,0,0,0|0,0,0]=2 17564 B18R2.9909 CC(O)CCCOc1ccc2ccccc2c1 7a_100000185828_200000718107 [0,2,0,0,0,0|0,0,0]=2 17565 B18R2.9909 CC(O)CCCOc1ccc2cccnc2c1 34a_100011216045_200000718107 [0,2,0,0,0,0|1,0,0]=3 17566 B18R2.9909 CC(O)CCCOc1ccc2ccncc2c1 7a_100000752006_200000718107 [0,2,0,0,0,0|1,0,0]=3 17567 B18R2.9909 CC(O)CCCOc1ccc2cnccc2c1 34a_100000046372_200000718107 [0,2,0,0,0,0|1,0,0]=3 17568 B18R2.9909 CC(O)CCCOc1ccc2cnccc2c1 7a_100000046372_200000718107 [0,2,0,0,0,0|1,0,0]=3 17569 B18R2.9909 CC(O)CCCOc1ccc2ncccc2c1 34a_100011215586_200000718107 [0,2,0,0,0,0|1,0,0]=3 17570 B18R2.9909 CC(O)CCCOc1ccc2ncccc2c1 7a_100011215586_200000718107 [0,2,0,0,0,0|1,0,0]=3 17571 B18R2.9909 CC(O)CCCOc1ccc2nccnc2c1 34a_100000694412_200000718107 [0,2,0,0,0,0|2,0,0]=4 17572 B18R2.9909 CC(O)CCCOc1cnc2ccccc2c1 34a_100011934006_200000718107 [0,2,0,0,0,0|1,0,0]=3 17573 B18R2.9909 CC(O)CCCOc1cnc2ccccc2c1 7a_100011934006_200000718107 [0,2,0,0,0,0|1,0,0]=3 17574 B18R2.9909 CC(O)CCCSc1cc2ccccc2cn1 62a_100009816522_200000718107 [0,2,0,0,0,0|1,1,0]=4 17575 B18R2.9909 CC(O)CCCSc1cc2ccccc2cn1 62a_200000718107_100000047361 [0,2,0,0,0,0|1,1,0]=4 17576 B18R2.9909 CC(O)CCCSc1ccc2ccccc2c1 62a_200000718107_100000233703 [0,2,0,0,0,0|0,1,0]=3 17577 B18R2.9909 CC(O)CCCSc1ccc2ccccc2n1 62a_100011291633_200000718107 [0,2,0,0,0,0|1,1,0]=4 17578 B18R2.9909 CC(O)CCCSc1ccc2ccccc2n1 62a_200000718107_100011291633 [0,2,0,0,0,0|1,1,0]=4 17579 B18R2.9909 CC(O)CCCSc1ccc2cccnc2c1 62a_200000718107_100009816655 [0,2,0,0,0,0|1,1,0]=4 17580 B18R2.9909 CC(O)CCCSc1ccc2ccncc2c1 62a_100000686496_200000718107 [0,2,0,0,0,0|1,1,0]=4 17581 B18R2.9909 CC(O)CCCSc1ccc2ccncc2c1 62a_200000718107_100000686496 [0,2,0,0,0,0|1,1,0]=4 17582 B18R2.9909 CC(O)CCCSc1ccc2cnccc2c1 62a_100009816743_200000718107 [0,2,0,0,0,0|1,1,0]=4 17583 B18R2.9909 CC(O)CCCSc1ccc2cnccc2c1 62a_200000718107_100009816743 [0,2,0,0,0,0|1,1,0]=4 17584 B18R2.9909 CC(O)CCCSc1ccc2ncccc2c1 62a_100011215947_200000718107 [0,2,0,0,0,0|1,1,0]=4 17585 B18R2.9909 CC(O)CCCSc1ccc2ncccc2c1 62a_200000718107_100011215947 [0,2,0,0,0,0|1,1,0]=4 17586 B18R2.9909 CC(O)CCCSc1cnc2ccccc2c1 62a_200000718107_100000737414 [0,2,0,0,0,0|1,1,0]=4 17587 B18R2.9909 CC(O)CCNCc1cc2ccccc2cn1 207a_200000755665_100000059776 [0,2,0,0,0,0|2,0,0]=4 17588 B18R2.9909 CC(O)CCNCc1cc2ccccc2cn1 2230a_200000755665_100009869231 [0,2,0,0,0,0|2,0,0]=4 17589 B18R2.9909 CC(O)CCNCc1cc2ccccc2cn1 270004a_200000755665_100000059776 [0,2,0,0,0,0|2,0,0]=4 17590 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 207a_200000755665_100000211584 [0,2,0,0,0,0|1,0,0]=3 17591 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 2230a_100000739491_100012276601 [0,2,0,0,0,0|1,0,0]=3 17592 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 2230a_200000755665_100011216711 [0,2,0,0,0,0|1,0,0]=3 17593 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 270004a_200000755665_100000211584 [0,2,0,0,0,0|1,0,0]=3 17594 B18R2.9909 CC(O)CCNCc1ccc2ccccc2c1 34a_100000739491_100012276601 [0,2,0,0,0,0|1,0,0]=3 17595 B18R2.9909 CC(O)CCNCc1ccc2ccccc2n1 207a_200000755665_100000759686 [0,2,0,0,0,0|2,0,0]=4 17596 B18R2.9909 CC(O)CCNCc1ccc2ccccc2n1 2230a_200000755665_100000737579 [0,2,0,0,0,0|2,0,0]=4 17597 B18R2.9909 CC(O)CCNCc1ccc2ccccc2n1 270004a_200000755665_100000759686 [0,2,0,0,0,0|2,0,0]=4 17598 B18R2.9909 CC(O)CCNCc1ccc2cccnc2c1 207a_200000755665_100011784159 [0,2,0,0,0,0|2,0,0]=4 17599 B18R2.9909 CC(O)CCNCc1ccc2cccnc2c1 270004a_200000755665_100011784159 [0,2,0,0,0,0|2,0,0]=4 17600 B18R2.9909 CC(O)CCNCc1ccc2cnccc2c1 207a_200000755665_100000068276 [0,2,0,0,0,0|2,0,0]=4 17601 B18R2.9909 CC(O)CCNCc1ccc2cnccc2c1 2230a_200000755665_100020605334 [0,2,0,0,0,0|2,0,0]=4 17602 B18R2.9909 CC(O)CCNCc1ccc2cnccc2c1 270004a_200000755665_100000068276 [0,2,0,0,0,0|2,0,0]=4 17603 B18R2.9909 CC(O)CCNCc1ccc2ncccc2c1 207a_200000755665_100000211315 [0,2,0,0,0,0|2,0,0]=4 17604 B18R2.9909 CC(O)CCNCc1ccc2ncccc2c1 2230a_200000755665_100000703657 [0,2,0,0,0,0|2,0,0]=4 17605 B18R2.9909 CC(O)CCNCc1ccc2ncccc2c1 270004a_200000755665_100000211315 [0,2,0,0,0,0|2,0,0]=4 17606 B18R2.9909 CC(O)CCNCc1ccc2ncccc2c1 34a_100000238500_100012276601 [0,2,0,0,0,0|2,0,0]=4 17607 B18R2.9909 CC(O)CCNCc1cnc2ccccc2c1 207a_200000755665_100000750898 [0,2,0,0,0,0|2,0,0]=4 17608 B18R2.9909 CC(O)CCNCc1cnc2ccccc2c1 270004a_200000755665_100000750898 [0,2,0,0,0,0|2,0,0]=4 17609 B18R2.9909 CC(O)CCNCc1cnc2ccccc2c1 34a_100000742225_100012276601 [0,2,0,0,0,0|2,0,0]=4 17610 B18R2.9909 CC(O)CCOCc1ccc2ccccc2c1 34a_100011215330_100012276601 [0,2,0,0,0,0|0,0,0]=2 17611 B18R2.9909 CC(O)CCOCc1ccc2ccccc2c1 7a_100011215330_100012276601 [0,2,0,0,0,0|0,0,0]=2 17612 B18R2.9909 CC(O)CCOCc1ccc2ncccc2c1 34a_100011315636_100012276601 [0,2,0,0,0,0|1,0,0]=3 17613 B18R2.9909 CC(O)CCOCc1cnc2ccccc2c1 34a_100011258773_100012276601 [0,2,0,0,0,0|1,0,0]=3 17614 B18R2.9909 CC(O)CCSCc1cc2ccccc2cn1 62a_100009869231_100012276601 [0,2,0,0,0,0|1,1,0]=4 17615 B18R2.9909 CC(O)CCSCc1cc2ccccc2cn1 62a_100012276601_100009869231 [0,2,0,0,0,0|1,1,0]=4 17616 B18R2.9909 CC(O)CCSCc1ccc2ccccc2c1 62a_100011216711_100012276601 [0,2,0,0,0,0|0,1,0]=3 17617 B18R2.9909 CC(O)CCSCc1ccc2ccccc2c1 62a_100012276601_100011216711 [0,2,0,0,0,0|0,1,0]=3 17618 B18R2.9909 CC(O)CCSCc1ccc2ccccc2n1 62a_100000737579_100012276601 [0,2,0,0,0,0|1,1,0]=4 17619 B18R2.9909 CC(O)CCSCc1ccc2ccccc2n1 62a_100012276601_100000737579 [0,2,0,0,0,0|1,1,0]=4 17620 B18R2.9909 CC(O)CCSCc1ccc2cnccc2c1 62a_100012276601_100020605334 [0,2,0,0,0,0|1,1,0]=4 17621 B18R2.9909 CC(O)CCSCc1ccc2cnccc2c1 62a_100020605334_100012276601 [0,2,0,0,0,0|1,1,0]=4 17622 B18R2.9909 CC(O)CCSCc1ccc2ncccc2c1 62a_100000703657_100012276601 [0,2,0,0,0,0|1,1,0]=4 17623 B18R2.9909 CC(O)CCSCc1ccc2ncccc2c1 62a_100012276601_100000703657 [0,2,0,0,0,0|1,1,0]=4 17624 B18R2.9909 CC(O)CNCCc1ccc2ccccc2c1 2230a_100000746582_100011218427 [0,2,0,0,0,0|1,0,0]=3 17625 B18R2.9909 CC(O)CNCCc1ccc2ccccc2c1 34a_100000746582_100011218427 [0,2,0,0,0,0|1,0,0]=3 17626 B18R2.9909 CC(O)CNN=Cc1ccc2ccccc2c1 4a_200000730056_100000211584 [0,2,0,0,0,0|2,0,0]=4 17627 B18R2.9909 CC(O)COCCc1ccc2ccccc2c1 34a_100000755654_100011218427 [0,2,0,0,0,0|1,0,0]=3 17628 B18R2.9909 CC(O)COCCc1ccc2ccccc2c1 7a_100000755654_100011218427 [0,2,0,0,0,0|1,0,0]=3 17629 B18R2.9909 CC(O)COCCc1ccc2ccccc2n1 34a_100011996444_100011218427 [0,2,0,0,0,0|2,0,0]=4 17630 B18R2.9909 CN(C)CCCNc1ccc2ccccc2c1 7a_100000211940_100000757444 [0,2,0,0,0,0|1,0,0]=3 17631 B18R2.9909 CN(C)CCCNc1ccc2ccccc2n1 27a_102531767803_100011291633 [0,2,0,0,0,0|2,0,0]=4 17632 B18R2.9909 CN(C)CCCOc1ccc2ccccc2c1 2230a_100102631434_100000750887 [0,2,0,0,0,0|0,0,0]=2 17633 B18R2.9909 CN(C)CCCOc1ccc2ccccc2c1 269982a_100102631434_100000750887 [0,2,0,0,0,0|0,0,0]=2 17634 B18R2.9909 CN(C)CCCOc1ccc2ccccc2c1 7a_100000185828_100000757444 [0,2,0,0,0,0|0,0,0]=2 17635 B18R2.9909 CN(C)CCCOc1ccc2ccncc2c1 7a_100000752006_100000757444 [0,2,0,0,0,0|1,0,0]=3 17636 B18R2.9909 CN(C)CCCOc1ccc2cnccc2c1 7a_100000046372_100000757444 [0,2,0,0,0,0|1,0,0]=3 17637 B18R2.9909 CN(C)CCCOc1ccc2ncccc2c1 7a_100011215586_100000757444 [0,2,0,0,0,0|1,0,0]=3 17638 B18R2.9909 CN(C)CCCOc1cnc2ccccc2c1 7a_100011934006_100000757444 [0,2,0,0,0,0|1,0,0]=3 17639 B18R2.9909 CN(C)CCCSc1cc2ccccc2cn1 62a_100009816522_100000757444 [0,2,0,0,0,0|1,1,0]=4 17640 B18R2.9909 CN(C)CCCSc1ccc2ccccc2n1 62a_100011291633_100000757444 [0,2,0,0,0,0|1,1,0]=4 17641 B18R2.9909 CN(C)CCCSc1ccc2ccncc2c1 62a_100000686496_100000757444 [0,2,0,0,0,0|1,1,0]=4 17642 B18R2.9909 CN(C)CCCSc1ccc2cnccc2c1 62a_100009816743_100000757444 [0,2,0,0,0,0|1,1,0]=4 17643 B18R2.9909 CN(C)CCCSc1ccc2ncccc2c1 62a_100011215947_100000757444 [0,2,0,0,0,0|1,1,0]=4 17644 B18R2.9909 CN(C)CCNCc1ccc2ccccc2c1 207a_100000210585_100000211584 [0,2,0,0,0,0|2,0,0]=4 17645 B18R2.9909 CN(C)CCNCc1ccc2ccccc2c1 270004a_100000210585_100000211584 [0,2,0,0,0,0|2,0,0]=4 17646 B18R2.9909 CN(C)CCOCc1ccc2ccccc2c1 7a_100011215330_100000755713 [0,2,0,0,0,0|1,0,0]=3 17647 B18R2.9909 CN(C)CCSCc1ccc2ccccc2c1 62a_100011216711_100000755713 [0,2,0,0,0,0|1,1,0]=4 17648 B18R2.9909 CS(=O)CCCNc1ccc2ccccc2n1 27a_200000753449_100011291633 [0,2,0,0,0,0|2,0,0]=4 17649 B18R2.9909 C[C@@H](N)CCOCc1cc2ccccc2cn1 34a_100000706166_100009869231 [0,2,0,0,0,0|1,0,0]=3 17650 B18R2.9909 C[C@@H](N)CCOCc1ccc2ccccc2c1 34a_100000706166_100011216711 [0,2,0,0,0,0|0,0,0]=2 17651 B18R2.9909 C[C@@H](N)CCOCc1ccc2ccccc2n1 34a_100000706166_100000737579 [0,2,0,0,0,0|1,0,0]=3 17652 B18R2.9909 C[C@@H](N)CCOCc1ccc2cnccc2c1 34a_100000706166_100020605334 [0,2,0,0,0,0|1,0,0]=3 17653 B18R2.9909 C[C@@H](N)CCOCc1ccc2ncccc2c1 34a_100000706166_100000703657 [0,2,0,0,0,0|1,0,0]=3 17654 B18R2.9909 C[C@@H](N)CCOCc1ncc2ccccc2n1 34a_100000706166_100009868571 [0,2,0,0,0,0|2,0,0]=4 17655 B18R2.9909 C[C@@H](O)CNCCc1ccc2ccccc2c1 2230a_100000746582_100009817552 [0,2,0,0,0,0|1,0,0]=3 17656 B18R2.9909 C[C@@H](O)CNCCc1ccc2ccccc2c1 34a_100000746582_100009817552 [0,2,0,0,0,0|1,0,0]=3 17657 B18R2.9909 C[C@@H](O)COCCc1ccc2ccccc2c1 34a_100000755654_100009817552 [0,2,0,0,0,0|1,0,0]=3 17658 B18R2.9909 C[C@@H](O)COCCc1ccc2ccccc2c1 7a_100000755654_100009817552 [0,2,0,0,0,0|1,0,0]=3 17659 B18R2.9909 C[C@@H](O)COCCc1ccc2ccccc2n1 34a_100011996444_100009817552 [0,2,0,0,0,0|2,0,0]=4 17660 B18R2.9909 FC(=CCCOc1ccc2ccccc2c1)F 34a_100000185828_200009816681 [0,2,0,0,0,0|0,0,2]=4 17661 B18R2.9909 FC(=CCCOc1ccc2ccccc2c1)F 7a_100000185828_200009816681 [0,2,0,0,0,0|0,0,2]=4 17662 B18R2.9909 FC(F)CCOCc1cc2ccccc2cn1 34a_100103093639_100009869231 [0,2,0,0,0,0|2,0,0]=4 17663 B18R2.9909 FC(F)CCOCc1ccc2ccccc2c1 34a_100103093639_100011216711 [0,2,0,0,0,0|1,0,0]=3 17664 B18R2.9909 FC(F)CCOCc1ccc2ccccc2n1 34a_100103093639_100000737579 [0,2,0,0,0,0|2,0,0]=4 17665 B18R2.9909 FC(F)CCOCc1ccc2cnccc2c1 34a_100103093639_100020605334 [0,2,0,0,0,0|2,0,0]=4 17666 B18R2.9909 FC(F)CCOCc1ccc2ncccc2c1 34a_100103093639_100000703657 [0,2,0,0,0,0|2,0,0]=4 17667 B18R2.9909 FC(F)CNCCc1ccc2ccccc2c1 2230a_100000746582_100011934356 [0,2,0,0,0,0|2,0,0]=4 17668 B18R2.9909 FC(F)CNCCc1ccc2ccccc2c1 34a_100000746582_100011934356 [0,2,0,0,0,0|2,0,0]=4 17669 B18R2.9909 FC(F)COCCc1ccc2ccccc2c1 34a_100000755654_100011934356 [0,2,0,0,0,0|2,0,0]=4 17670 B18R2.9909 FC(F)COCCc1ccc2ccccc2c1 7a_100000755654_100011934356 [0,2,0,0,0,0|2,0,0]=4 17671 B18R2.9909 NC(=O)CCCNc1ccc2ccccc2c1 34a_100000211940_100102525003 [0,2,0,0,0,0|1,0,1]=4 17672 B18R2.9909 NC(=O)CCCNc1ccc2ccccc2c1 7a_100000211940_100102525003 [0,2,0,0,0,0|1,0,1]=4 17673 B18R2.9909 NC(=O)CCCOc1ccc2ccccc2c1 34a_100000185828_100102525003 [0,2,0,0,0,0|0,0,1]=3 17674 B18R2.9909 NC(=O)CCCOc1ccc2ccccc2c1 7a_100000185828_100102525003 [0,2,0,0,0,0|0,0,1]=3 17675 B18R2.9909 NC(=O)CCCOc1ccc2cccnc2c1 34a_100011216045_100102525003 [0,2,0,0,0,0|1,0,1]=4 17676 B18R2.9909 NC(=O)CCCOc1ccc2ccncc2c1 7a_100000752006_100102525003 [0,2,0,0,0,0|1,0,1]=4 17677 B18R2.9909 NC(=O)CCCOc1ccc2cnccc2c1 34a_100000046372_100102525003 [0,2,0,0,0,0|1,0,1]=4 17678 B18R2.9909 NC(=O)CCCOc1ccc2cnccc2c1 7a_100000046372_100102525003 [0,2,0,0,0,0|1,0,1]=4 17679 B18R2.9909 NC(=O)CCCOc1ccc2ncccc2c1 34a_100011215586_100102525003 [0,2,0,0,0,0|1,0,1]=4 17680 B18R2.9909 NC(=O)CCCOc1ccc2ncccc2c1 7a_100011215586_100102525003 [0,2,0,0,0,0|1,0,1]=4 17681 B18R2.9909 NC(=O)CCCOc1cnc2ccccc2c1 34a_100011934006_100102525003 [0,2,0,0,0,0|1,0,1]=4 17682 B18R2.9909 NC(=O)CCCOc1cnc2ccccc2c1 7a_100011934006_100102525003 [0,2,0,0,0,0|1,0,1]=4 17683 B18R2.9909 NC(=O)CCCSc1ccc2ccccc2c1 62a_100102525003_100000233703 [0,2,0,0,0,0|0,1,1]=4 17684 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2c1 34a_100000757172_100011216711 [0,2,0,0,0,0|1,0,1]=4 17685 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2c1 34a_100011215330_100000731001 [0,2,0,0,0,0|1,0,1]=4 17686 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2c1 7a_100000757172_100011216711 [0,2,0,0,0,0|1,0,1]=4 17687 B18R2.9909 NC(=O)CCOCc1ccc2ccccc2c1 7a_100011215330_100000744528 [0,2,0,0,0,0|1,0,1]=4 17688 B18R2.9909 NC(=O)NCCOc1ccc2ccccc2c1 7a_100000185828_200000034859 [0,2,0,0,0,0|1,0,1]=4 17689 B18R2.9909 NC(=O)OCCOc1ccc2ccccc2c1 34a_100000185828_200011214921 [0,2,0,0,0,0|1,0,1]=4 17690 B18R2.9909 NC(=O)OCCOc1ccc2ccccc2c1 7a_100000185828_200011214921 [0,2,0,0,0,0|1,0,1]=4 17691 B18R2.36301 BrCCCOCc1ccc2cc(ccc2c1)Br 34a_100011217188_100012356510 [0,2,0,0,0,0|1,0,0]=3 17692 B18R2.36301 C#CCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000695029 [0,2,0,0,0,0|1,0,1]=4 17693 B18R2.36301 C#CCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011215417 [0,2,0,0,0,0|1,0,1]=4 17694 B18R2.36301 C#CCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000695029 [0,2,0,0,0,0|0,0,1]=3 17695 B18R2.36301 C#CCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011215417 [0,2,0,0,0,0|0,0,1]=3 17696 B18R2.36301 C#CCCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000695029 [0,2,0,0,0,0|0,0,1]=3 17697 B18R2.36301 C#CCCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100011215417 [0,2,0,0,0,0|0,0,1]=3 17698 B18R2.36301 C#CCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000695029 [0,2,0,0,0,0|0,0,1]=3 17699 B18R2.36301 C#CCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011215417 [0,2,0,0,0,0|0,0,1]=3 17700 B18R2.36301 C#CCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000695029 [0,2,0,0,0,0|0,0,1]=3 17701 B18R2.36301 C#CCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011215417 [0,2,0,0,0,0|0,0,1]=3 17702 B18R2.36301 C#CCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000695029 [0,2,0,0,0,0|1,0,1]=4 17703 B18R2.36301 C#CCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100011215417 [0,2,0,0,0,0|1,0,1]=4 17704 B18R2.36301 C#CCCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000695029 [0,2,0,0,0,0|1,0,1]=4 17705 B18R2.36301 C#CCCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100011215417 [0,2,0,0,0,0|1,0,1]=4 17706 B18R2.36301 C#CCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000695029 [0,2,0,0,0,0|1,0,1]=4 17707 B18R2.36301 C#CCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011215417 [0,2,0,0,0,0|1,0,1]=4 17708 B18R2.36301 C#CCCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000695029 [0,2,0,0,0,0|1,0,1]=4 17709 B18R2.36301 C#CCCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100011215417 [0,2,0,0,0,0|1,0,1]=4 17710 B18R2.36301 C#CCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000695029 [0,2,0,0,0,0|1,0,1]=4 17711 B18R2.36301 C#CCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100011215417 [0,2,0,0,0,0|1,0,1]=4 17712 B18R2.36301 C#CCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011215417 [0,2,0,0,0,0|0,1,1]=4 17713 B18R2.36301 C#CCCCSc1ccc2cc(ccc2c1)F 62a_100011215417_100009817052 [0,2,0,0,0,0|0,1,1]=4 17714 B18R2.36301 C#CCCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100011215417 [0,2,0,0,0,0|0,1,1]=4 17715 B18R2.36301 C#CCCCSc1ccc2cc(ccc2c1)N 62a_100011215417_100000185457 [0,2,0,0,0,0|0,1,1]=4 17716 B18R2.36301 C#CCCCSc1ccc2cc(ccc2c1)O 62a_100011215417_100000185455 [0,2,0,0,0,0|0,1,1]=4 17717 B18R2.36301 C#CCCOCc1ccc2cc(ccc2c1)Br 34a_100011215631_100012356510 [0,2,0,0,0,0|0,0,2]=4 17718 B18R2.36301 C#CCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000688953 [0,2,0,0,0,0|0,0,2]=4 17719 B18R2.36301 C#CCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000688953 [0,2,0,0,0,0|0,0,2]=4 17720 B18R2.36301 C/C=C/COCc1ccc2cc(ccc2c1)Br 34a_100012356509_100102629194 [0,2,0,0,0,0|0,0,2]=4 17721 B18R2.36301 C/C=C/COCc1ccc2cc(ccc2c1)Br 34a_100016270725_100012356510 [0,2,0,0,0,0|0,0,2]=4 17722 B18R2.36301 C/C=C/COCc1ccc2cc(ccc2c1)Br 7a_100012356509_100102629194 [0,2,0,0,0,0|0,0,2]=4 17723 B18R2.36301 C=CCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000757094 [0,2,0,0,0,0|1,0,1]=4 17724 B18R2.36301 C=CCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000757094 [0,2,0,0,0,0|1,0,1]=4 17725 B18R2.36301 C=CCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000757094 [0,2,0,0,0,0|0,0,1]=3 17726 B18R2.36301 C=CCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000757094 [0,2,0,0,0,0|0,0,1]=3 17727 B18R2.36301 C=CCCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000757094 [0,2,0,0,0,0|0,0,1]=3 17728 B18R2.36301 C=CCCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000757094 [0,2,0,0,0,0|0,0,1]=3 17729 B18R2.36301 C=CCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000757094 [0,2,0,0,0,0|0,0,1]=3 17730 B18R2.36301 C=CCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000757094 [0,2,0,0,0,0|0,0,1]=3 17731 B18R2.36301 C=CCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000757094 [0,2,0,0,0,0|0,0,1]=3 17732 B18R2.36301 C=CCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000757094 [0,2,0,0,0,0|0,0,1]=3 17733 B18R2.36301 C=CCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000757094 [0,2,0,0,0,0|1,0,1]=4 17734 B18R2.36301 C=CCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000757094 [0,2,0,0,0,0|1,0,1]=4 17735 B18R2.36301 C=CCCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000757094 [0,2,0,0,0,0|1,0,1]=4 17736 B18R2.36301 C=CCCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000757094 [0,2,0,0,0,0|1,0,1]=4 17737 B18R2.36301 C=CCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000757094 [0,2,0,0,0,0|1,0,1]=4 17738 B18R2.36301 C=CCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000757094 [0,2,0,0,0,0|1,0,1]=4 17739 B18R2.36301 C=CCCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000757094 [0,2,0,0,0,0|1,0,1]=4 17740 B18R2.36301 C=CCCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000757094 [0,2,0,0,0,0|1,0,1]=4 17741 B18R2.36301 C=CCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000757094 [0,2,0,0,0,0|1,0,1]=4 17742 B18R2.36301 C=CCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000757094 [0,2,0,0,0,0|1,0,1]=4 17743 B18R2.36301 C=CCCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000757094 [0,2,0,0,0,0|0,1,1]=4 17744 B18R2.36301 C=CCCCSc1ccc2cc(ccc2c1)N 62a_100011713584_100000185457 [0,2,0,0,0,0|0,1,1]=4 17745 B18R2.36301 C=CCCCSc1ccc2cc(ccc2c1)O 62a_100011713584_100000185455 [0,2,0,0,0,0|0,1,1]=4 17746 B18R2.36301 C=CCCOCc1ccc2cc(ccc2c1)Br 34a_100011205117_100012356510 [0,2,0,0,0,0|0,0,2]=4 17747 B18R2.36301 C=CCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000754431 [0,2,0,0,0,0|0,0,2]=4 17748 B18R2.36301 C=CCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000754431 [0,2,0,0,0,0|0,0,2]=4 17749 B18R2.36301 C=COCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000039644 [0,2,0,0,0,0|0,0,2]=4 17750 B18R2.36301 C=COCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000039644 [0,2,0,0,0,0|0,0,2]=4 17751 B18R2.36301 C=COCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000039644 [0,2,0,0,0,0|0,0,2]=4 17752 B18R2.36301 C=COCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000039644 [0,2,0,0,0,0|0,0,2]=4 17753 B18R2.36301 C=COCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000039644 [0,2,0,0,0,0|0,0,2]=4 17754 B18R2.36301 C=COCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000039644 [0,2,0,0,0,0|0,0,2]=4 17755 B18R2.36301 C=COCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000039644 [0,2,0,0,0,0|0,0,2]=4 17756 B18R2.36301 C=COCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000039644 [0,2,0,0,0,0|0,0,2]=4 17757 B18R2.36301 CC#CCOCc1ccc2cc(ccc2c1)Br 34a_100000761923_100012356510 [0,2,0,0,0,0|0,0,2]=4 17758 B18R2.36301 CC#CCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000748600 [0,2,0,0,0,0|0,0,2]=4 17759 B18R2.36301 CC#CCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000748600 [0,2,0,0,0,0|0,0,2]=4 17760 B18R2.36301 CC/C=C\CNc1ccc2cc(ccc2c1)Br 34a_100000185457_100103147603 [0,2,0,0,0,0|1,0,1]=4 17761 B18R2.36301 CC/C=C\CNc1ccc2cc(ccc2c1)Br 7a_100000185457_100103147603 [0,2,0,0,0,0|1,0,1]=4 17762 B18R2.36301 CC/C=C\COc1ccc2cc(ccc2c1)Br 34a_100000185455_100103147603 [0,2,0,0,0,0|0,0,1]=3 17763 B18R2.36301 CC/C=C\COc1ccc2cc(ccc2c1)Br 7a_100000185455_100103147603 [0,2,0,0,0,0|0,0,1]=3 17764 B18R2.36301 CC/C=C\COc1ccc2cc(ccc2c1)C 34a_100000074090_100103147603 [0,2,0,0,0,0|0,0,1]=3 17765 B18R2.36301 CC/C=C\COc1ccc2cc(ccc2c1)C 7a_100000074090_100103147603 [0,2,0,0,0,0|0,0,1]=3 17766 B18R2.36301 CC/C=C\COc1ccc2cc(ccc2c1)Cl 34a_100000074905_100103147603 [0,2,0,0,0,0|0,0,1]=3 17767 B18R2.36301 CC/C=C\COc1ccc2cc(ccc2c1)Cl 7a_100000074905_100103147603 [0,2,0,0,0,0|0,0,1]=3 17768 B18R2.36301 CC/C=C\COc1ccc2cc(ccc2c1)F 34a_100009847029_100103147603 [0,2,0,0,0,0|0,0,1]=3 17769 B18R2.36301 CC/C=C\COc1ccc2cc(ccc2c1)F 7a_100009847029_100103147603 [0,2,0,0,0,0|0,0,1]=3 17770 B18R2.36301 CC/C=C\COc1ccc2cc(cnc2c1)Br 34a_200010153753_100103147603 [0,2,0,0,0,0|1,0,1]=4 17771 B18R2.36301 CC/C=C\COc1ccc2cc(cnc2c1)Br 7a_200010153753_100103147603 [0,2,0,0,0,0|1,0,1]=4 17772 B18R2.36301 CC/C=C\COc1ccc2nc(ccc2c1)C 34a_100000037634_100103147603 [0,2,0,0,0,0|1,0,1]=4 17773 B18R2.36301 CC/C=C\COc1ccc2nc(ccc2c1)C 7a_100000037634_100103147603 [0,2,0,0,0,0|1,0,1]=4 17774 B18R2.36301 CC/C=C\COc1ccc2nc(ccc2c1)Cl 34a_100009849208_100103147603 [0,2,0,0,0,0|1,0,1]=4 17775 B18R2.36301 CC/C=C\COc1ccc2nc(ccc2c1)Cl 7a_100009849208_100103147603 [0,2,0,0,0,0|1,0,1]=4 17776 B18R2.36301 CC/C=C\COc1ccc2oc(=O)ccc2c1 34a_100000066265_100103147603 [0,2,0,0,0,0|1,0,1]=4 17777 B18R2.36301 CC/C=C\COc1ccc2oc(=O)ccc2c1 7a_100000066265_100103147603 [0,2,0,0,0,0|1,0,1]=4 17778 B18R2.36301 CC/C=C\COc1cnc2cc(ccc2c1)F 34a_100012184162_100103147603 [0,2,0,0,0,0|1,0,1]=4 17779 B18R2.36301 CC/C=C\COc1cnc2cc(ccc2c1)F 7a_100012184162_100103147603 [0,2,0,0,0,0|1,0,1]=4 17780 B18R2.36301 CC/C=C\CSc1ccc2cc(ccc2c1)N 62a_100000185457_100103147603 [0,2,0,0,0,0|0,1,1]=4 17781 B18R2.36301 CC/C=C\CSc1ccc2cc(ccc2c1)N 62a_100103147603_100000185457 [0,2,0,0,0,0|0,1,1]=4 17782 B18R2.36301 CC/C=C\CSc1ccc2cc(ccc2c1)O 62a_100103147603_100000185455 [0,2,0,0,0,0|0,1,1]=4 17783 B18R2.36301 CC=CCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000070051 [0,2,0,0,0,0|0,0,2]=4 17784 B18R2.36301 CC=CCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000070051 [0,2,0,0,0,0|0,0,2]=4 17785 B18R2.36301 CCC#CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100009813939 [0,2,0,0,0,0|1,0,1]=4 17786 B18R2.36301 CCC#CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100009813939 [0,2,0,0,0,0|1,0,1]=4 17787 B18R2.36301 CCC#CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100009813939 [0,2,0,0,0,0|0,0,1]=3 17788 B18R2.36301 CCC#CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100009813939 [0,2,0,0,0,0|0,0,1]=3 17789 B18R2.36301 CCC#CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100009813939 [0,2,0,0,0,0|0,0,1]=3 17790 B18R2.36301 CCC#CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100009813939 [0,2,0,0,0,0|0,0,1]=3 17791 B18R2.36301 CCC#CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100009813939 [0,2,0,0,0,0|0,0,1]=3 17792 B18R2.36301 CCC#CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100009813939 [0,2,0,0,0,0|0,0,1]=3 17793 B18R2.36301 CCC#CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100009813939 [0,2,0,0,0,0|0,0,1]=3 17794 B18R2.36301 CCC#CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100009813939 [0,2,0,0,0,0|0,0,1]=3 17795 B18R2.36301 CCC#CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100009813939 [0,2,0,0,0,0|1,0,1]=4 17796 B18R2.36301 CCC#CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100009813939 [0,2,0,0,0,0|1,0,1]=4 17797 B18R2.36301 CCC#CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100009813939 [0,2,0,0,0,0|1,0,1]=4 17798 B18R2.36301 CCC#CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100009813939 [0,2,0,0,0,0|1,0,1]=4 17799 B18R2.36301 CCC#CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100009813939 [0,2,0,0,0,0|1,0,1]=4 17800 B18R2.36301 CCC#CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100009813939 [0,2,0,0,0,0|1,0,1]=4 17801 B18R2.36301 CCC#CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100009813939 [0,2,0,0,0,0|1,0,1]=4 17802 B18R2.36301 CCC#CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100009813939 [0,2,0,0,0,0|1,0,1]=4 17803 B18R2.36301 CCC#CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100009813939 [0,2,0,0,0,0|1,0,1]=4 17804 B18R2.36301 CCC#CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100009813939 [0,2,0,0,0,0|1,0,1]=4 17805 B18R2.36301 CCC#CCSc1ccc2cc(ccc2c1)F 62a_100009813939_100009817052 [0,2,0,0,0,0|0,1,1]=4 17806 B18R2.36301 CCC#CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100009813939 [0,2,0,0,0,0|0,1,1]=4 17807 B18R2.36301 CCC#CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100009813939 [0,2,0,0,0,0|0,1,1]=4 17808 B18R2.36301 CCC#CCSc1ccc2cc(ccc2c1)N 62a_100009813939_100000185457 [0,2,0,0,0,0|0,1,1]=4 17809 B18R2.36301 CCC#CCSc1ccc2cc(ccc2c1)O 62a_100009813939_100000185455 [0,2,0,0,0,0|0,1,1]=4 17810 B18R2.36301 CCCCC=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100016275911_100011934725 [0,2,0,0,0,0|2,0,0]=4 17811 B18R2.36301 CCCCC=Cc1ccc2c[n+](ccc2c1)C 271570a_100016275911_100015191232 [0,2,0,0,0,0|2,0,0]=4 17812 B18R2.36301 CCCCC=Cc1ccc2cc(ccc2c1)N 271570a_100016275911_100000185457 [0,2,0,0,0,0|1,0,0]=3 17813 B18R2.36301 CCCCC=Cc1ccc2cc(ccc2c1)O 271570a_100016275911_100000185455 [0,2,0,0,0,0|1,0,0]=3 17814 B18R2.36301 CCCCC=Cc1ccc2cc(ccc2n1)C 271570a_100016275911_100011865911 [0,2,0,0,0,0|2,0,0]=4 17815 B18R2.36301 CCCCC=Cc1ccc2cc(ccc2n1)F 271570a_100016275911_100011998705 [0,2,0,0,0,0|2,0,0]=4 17816 B18R2.36301 CCCCC=Cc1ccc2cc(ccc2n1)O 271570a_100016275911_100009849208 [0,2,0,0,0,0|2,0,0]=4 17817 B18R2.36301 CCCCC=Cc1ccc2cc(cnc2c1)C 271570a_100016275911_100010751441 [0,2,0,0,0,0|2,0,0]=4 17818 B18R2.36301 CCCCC=Cc1ccc2cc(cnc2c1)F 271570a_100016275911_100010751466 [0,2,0,0,0,0|2,0,0]=4 17819 B18R2.36301 CCCCC=Cc1ccc2cc(cnc2c1)N 271570a_100016275911_100010142226 [0,2,0,0,0,0|2,0,0]=4 17820 B18R2.36301 CCCCC=Cc1ccc2cc(ncc2c1)N 271570a_100016275911_100010232990 [0,2,0,0,0,0|2,0,0]=4 17821 B18R2.36301 CCCCC=Cc1ccc2nc(ccc2c1)C 271570a_100016275911_100000686635 [0,2,0,0,0,0|2,0,0]=4 17822 B18R2.36301 CCCCC=Cc1ccc2nc(ccc2c1)N 271570a_100016275911_100011934619 [0,2,0,0,0,0|2,0,0]=4 17823 B18R2.36301 CCCCC=Cc1ccc2oc(=O)ccc2c1 271570a_100016275911_100009999946 [0,2,0,0,0,0|2,0,0]=4 17824 B18R2.36301 CCCCC=Cc1cnc2cc(ccc2c1)N 271570a_100016275911_200010264087 [0,2,0,0,0,0|2,0,0]=4 17825 B18R2.36301 CCCCC=Cc1cnc2cc(ccc2c1)O 271570a_100016275911_200010153753 [0,2,0,0,0,0|2,0,0]=4 17826 B18R2.36301 CCCCCNc1ccc2cc(ccc2n1)C 27a_100000209983_100011865911 [0,2,0,0,0,0|2,0,0]=4 17827 B18R2.36301 CCCCCNc1ccc2cc(ccc2n1)F 27a_100000209983_100011998705 [0,2,0,0,0,0|2,0,0]=4 17828 B18R2.36301 CCCCCNc1ccc2cc(cnc2c1)Br 27a_100000209983_200015509644 [0,2,0,0,0,0|2,0,0]=4 17829 B18R2.36301 CCCCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000718602 [0,2,0,0,0,0|2,0,0]=4 17830 B18R2.36301 CCCCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000718602 [0,2,0,0,0,0|2,0,0]=4 17831 B18R2.36301 CCCCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210326 [0,2,0,0,0,0|2,0,0]=4 17832 B18R2.36301 CCCCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000718602 [0,2,0,0,0,0|0,0,0]=2 17833 B18R2.36301 CCCCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210326 [0,2,0,0,0,0|0,0,0]=2 17834 B18R2.36301 CCCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000718602 [0,2,0,0,0,0|0,0,0]=2 17835 B18R2.36301 CCCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210326 [0,2,0,0,0,0|0,0,0]=2 17836 B18R2.36301 CCCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000718602 [0,2,0,0,0,0|1,0,0]=3 17837 B18R2.36301 CCCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210326 [0,2,0,0,0,0|1,0,0]=3 17838 B18R2.36301 CCCCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000718602 [0,2,0,0,0,0|1,0,0]=3 17839 B18R2.36301 CCCCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210326 [0,2,0,0,0,0|1,0,0]=3 17840 B18R2.36301 CCCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000718602 [0,2,0,0,0,0|1,0,0]=3 17841 B18R2.36301 CCCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210326 [0,2,0,0,0,0|1,0,0]=3 17842 B18R2.36301 CCCCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000718602 [0,2,0,0,0,0|2,0,0]=4 17843 B18R2.36301 CCCCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000718602 [0,2,0,0,0,0|1,0,0]=3 17844 B18R2.36301 CCCCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210326 [0,2,0,0,0,0|1,0,0]=3 17845 B18R2.36301 CCCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000718602 [0,2,0,0,0,0|1,0,0]=3 17846 B18R2.36301 CCCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210326 [0,2,0,0,0,0|1,0,0]=3 17847 B18R2.36301 CCCCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210326_100011934725 [0,2,0,0,0,0|1,1,0]=4 17848 B18R2.36301 CCCCCSc1ccc2c[n+](ccc2c1)C 62a_100000210326_100015191232 [0,2,0,0,0,0|1,1,0]=4 17849 B18R2.36301 CCCCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210326 [0,2,0,0,0,0|0,1,0]=3 17850 B18R2.36301 CCCCCSc1ccc2cc(ccc2c1)N 62a_100000210326_100000185457 [0,2,0,0,0,0|0,1,0]=3 17851 B18R2.36301 CCCCCSc1ccc2cc(ccc2c1)O 62a_100000210326_100000185455 [0,2,0,0,0,0|0,1,0]=3 17852 B18R2.36301 CCCCCSc1ccc2cc(ccc2n1)C 62a_100000210326_100011865911 [0,2,0,0,0,0|1,1,0]=4 17853 B18R2.36301 CCCCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210326 [0,2,0,0,0,0|1,1,0]=4 17854 B18R2.36301 CCCCCSc1ccc2cc(ccc2n1)F 62a_100000210326_100011998705 [0,2,0,0,0,0|1,1,0]=4 17855 B18R2.36301 CCCCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210326 [0,2,0,0,0,0|1,1,0]=4 17856 B18R2.36301 CCCCCSc1ccc2cc(ccc2n1)O 62a_100000210326_100009849208 [0,2,0,0,0,0|1,1,0]=4 17857 B18R2.36301 CCCCCSc1ccc2cc(cnc2c1)C 62a_100000210326_100010751441 [0,2,0,0,0,0|1,1,0]=4 17858 B18R2.36301 CCCCCSc1ccc2cc(cnc2c1)F 62a_100000210326_100010751466 [0,2,0,0,0,0|1,1,0]=4 17859 B18R2.36301 CCCCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210326 [0,2,0,0,0,0|1,1,0]=4 17860 B18R2.36301 CCCCCSc1ccc2cc(cnc2c1)N 62a_100000210326_100010142226 [0,2,0,0,0,0|1,1,0]=4 17861 B18R2.36301 CCCCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000210326 [0,2,0,0,0,0|1,1,0]=4 17862 B18R2.36301 CCCCCSc1ccc2cc(ncc2c1)N 62a_100000210326_100010232990 [0,2,0,0,0,0|1,1,0]=4 17863 B18R2.36301 CCCCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000210326 [0,2,0,0,0,0|1,1,0]=4 17864 B18R2.36301 CCCCCSc1ccc2nc(ccc2c1)C 62a_100000210326_100000686635 [0,2,0,0,0,0|1,1,0]=4 17865 B18R2.36301 CCCCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000210326 [0,2,0,0,0,0|1,1,0]=4 17866 B18R2.36301 CCCCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210326 [0,2,0,0,0,0|1,1,0]=4 17867 B18R2.36301 CCCCCSc1ccc2oc(=O)ccc2c1 62a_100000210326_100009999946 [0,2,0,0,0,0|1,1,0]=4 17868 B18R2.36301 CCCCCSc1cnc2cc(ccc2c1)N 62a_100000210326_200010264087 [0,2,0,0,0,0|1,1,0]=4 17869 B18R2.36301 CCCCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000210326 [0,2,0,0,0,0|1,1,0]=4 17870 B18R2.36301 CCCCCSc1cnc2cc(ccc2c1)O 62a_100000210326_200010153753 [0,2,0,0,0,0|1,1,0]=4 17871 B18R2.36301 CCCCNCc1cc2ccc(cc2cn1)Cl 2230a_100000102301_200010408301 [0,2,0,0,0,0|2,0,0]=4 17872 B18R2.36301 CCCCNCc1cc2ccc(cc2cn1)Cl 7a_106832991798_200010408301 [0,2,0,0,0,0|2,0,0]=4 17873 B18R2.36301 CCCCNCc1ccc2cc(ccc2c1)Br 207a_100000102301_100012356508 [0,2,0,0,0,0|1,0,0]=3 17874 B18R2.36301 CCCCNCc1ccc2cc(ccc2c1)Br 2230a_100000102301_100012356510 [0,2,0,0,0,0|1,0,0]=3 17875 B18R2.36301 CCCCNCc1ccc2cc(ccc2c1)Br 270004a_100000102301_100012356508 [0,2,0,0,0,0|1,0,0]=3 17876 B18R2.36301 CCCCNCc1ccc2cc(ccc2c1)Br 7a_106832991798_100012356510 [0,2,0,0,0,0|1,0,0]=3 17877 B18R2.36301 CCCCNCc1ccc2cc(ccc2c1)O 207a_100000102301_100000067190 [0,2,0,0,0,0|1,0,0]=3 17878 B18R2.36301 CCCCNCc1ccc2cc(ccc2c1)O 270004a_100000102301_100000067190 [0,2,0,0,0,0|1,0,0]=3 17879 B18R2.36301 CCCCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210210 [0,2,0,0,0,0|1,0,0]=3 17880 B18R2.36301 CCCCNCc1ccc2cc(ccc2n1)C 2230a_100000102301_100009884411 [0,2,0,0,0,0|2,0,0]=4 17881 B18R2.36301 CCCCNCc1ccc2cc(ccc2n1)C 7a_106832991798_100009884411 [0,2,0,0,0,0|2,0,0]=4 17882 B18R2.36301 CCCCNCc1ccc2cc(ccc2n1)Cl 207a_100000102301_100000059782 [0,2,0,0,0,0|2,0,0]=4 17883 B18R2.36301 CCCCNCc1ccc2cc(ccc2n1)Cl 270004a_100000102301_100000059782 [0,2,0,0,0,0|2,0,0]=4 17884 B18R2.36301 CCCCNCc1ccc2cc(ccc2n1)F 207a_100000102301_100000068074 [0,2,0,0,0,0|2,0,0]=4 17885 B18R2.36301 CCCCNCc1ccc2cc(ccc2n1)F 270004a_100000102301_100000068074 [0,2,0,0,0,0|2,0,0]=4 17886 B18R2.36301 CCCCNCc1ccc2cc(cnc2c1)Br 207a_100000102301_100010114372 [0,2,0,0,0,0|2,0,0]=4 17887 B18R2.36301 CCCCNCc1ccc2cc(cnc2c1)Br 270004a_100000102301_100010114372 [0,2,0,0,0,0|2,0,0]=4 17888 B18R2.36301 CCCCNCc1ccc2nc(ccc2c1)C 207a_100000102301_100000709793 [0,2,0,0,0,0|2,0,0]=4 17889 B18R2.36301 CCCCNCc1ccc2nc(ccc2c1)C 270004a_100000102301_100000709793 [0,2,0,0,0,0|2,0,0]=4 17890 B18R2.36301 CCCCNCc1ccc2nc(ccc2c1)Cl 270004a_100000102301_100000087602 [0,2,0,0,0,0|2,0,0]=4 17891 B18R2.36301 CCCCNCc1ccc2oc(=O)ccc2c1 2230a_100000102301_200010983872 [0,2,0,0,0,0|2,0,0]=4 17892 B18R2.36301 CCCCNCc1ccc2oc(=O)ccc2c1 270004a_100000102301_100000036638 [0,2,0,0,0,0|2,0,0]=4 17893 B18R2.36301 CCCCNCc1ccc2oc(=O)ccc2c1 7a_106832991798_200010983872 [0,2,0,0,0,0|2,0,0]=4 17894 B18R2.36301 CCCCOCc1cc2ccc(cc2cn1)Cl 34a_100000210227_200010408301 [0,2,0,0,0,0|1,0,0]=3 17895 B18R2.36301 CCCCOCc1cc2ccc(cc2cn1)Cl 7a_100000210227_200010408301 [0,2,0,0,0,0|1,0,0]=3 17896 B18R2.36301 CCCCOCc1ccc2cc(ccc2c1)Br 34a_100000210227_100012356510 [0,2,0,0,0,0|0,0,0]=2 17897 B18R2.36301 CCCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000210210 [0,2,0,0,0,0|0,0,0]=2 17898 B18R2.36301 CCCCOCc1ccc2cc(ccc2c1)Br 7a_100000210227_100012356510 [0,2,0,0,0,0|0,0,0]=2 17899 B18R2.36301 CCCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000210211 [0,2,0,0,0,0|0,0,0]=2 17900 B18R2.36301 CCCCOCc1ccc2cc(ccc2n1)C 34a_100000210227_100009884411 [0,2,0,0,0,0|1,0,0]=3 17901 B18R2.36301 CCCCOCc1ccc2cc(ccc2n1)C 7a_100000210227_100009884411 [0,2,0,0,0,0|1,0,0]=3 17902 B18R2.36301 CCCCOCc1ccc2nc(ccc2c1)C 34a_100011934618_100000210210 [0,2,0,0,0,0|1,0,0]=3 17903 B18R2.36301 CCCCOCc1ccc2oc(=O)ccc2c1 7a_100000210227_200010983872 [0,2,0,0,0,0|1,0,0]=3 17904 B18R2.36301 CCCCSCc1cc2ccc(cc2cn1)Cl 62a_100000210211_200010408301 [0,2,0,0,0,0|1,1,0]=4 17905 B18R2.36301 CCCCSCc1cc2ccc(cc2cn1)Cl 62a_200010408301_100000210210 [0,2,0,0,0,0|1,1,0]=4 17906 B18R2.36301 CCCCSCc1ccc2cc(ccc2n1)C 62a_100000210211_100009884411 [0,2,0,0,0,0|1,1,0]=4 17907 B18R2.36301 CCCCSCc1ccc2cc(ccc2n1)C 62a_100009884411_100000210210 [0,2,0,0,0,0|1,1,0]=4 17908 B18R2.36301 CCCCSCc1ccc2oc(=O)ccc2c1 62a_100000210211_200010983872 [0,2,0,0,0,0|1,1,0]=4 17909 B18R2.36301 CCCNN=Cc1ccc2cc(ccc2c1)Br 4a_100000740057_100012356508 [0,2,0,0,0,0|2,0,0]=4 17910 B18R2.36301 CCCNN=Cc1ccc2cc(ccc2c1)O 4a_100000740057_100000067190 [0,2,0,0,0,0|2,0,0]=4 17911 B18R2.36301 CCOCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210147 [0,2,0,0,0,0|1,0,0]=3 17912 B18R2.36301 CCOCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011215890 [0,2,0,0,0,0|1,0,0]=3 17913 B18R2.36301 CCOCCNc1ccc2cc(ccc2n1)C 27a_100011200944_100011865911 [0,2,0,0,0,0|2,0,0]=4 17914 B18R2.36301 CCOCCNc1ccc2cc(ccc2n1)F 27a_100011200944_100011998705 [0,2,0,0,0,0|2,0,0]=4 17915 B18R2.36301 CCOCCNc1ccc2cc(cnc2c1)Br 27a_100011200944_200015509644 [0,2,0,0,0,0|2,0,0]=4 17916 B18R2.36301 CCOCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000210147 [0,2,0,0,0,0|2,0,0]=4 17917 B18R2.36301 CCOCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000210147 [0,2,0,0,0,0|2,0,0]=4 17918 B18R2.36301 CCOCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100011215890 [0,2,0,0,0,0|2,0,0]=4 17919 B18R2.36301 CCOCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210147 [0,2,0,0,0,0|0,0,0]=2 17920 B18R2.36301 CCOCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100011215890 [0,2,0,0,0,0|0,0,0]=2 17921 B18R2.36301 CCOCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210147 [0,2,0,0,0,0|0,0,0]=2 17922 B18R2.36301 CCOCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100011215890 [0,2,0,0,0,0|0,0,0]=2 17923 B18R2.36301 CCOCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210147 [0,2,0,0,0,0|0,0,0]=2 17924 B18R2.36301 CCOCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100011215890 [0,2,0,0,0,0|0,0,0]=2 17925 B18R2.36301 CCOCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210147 [0,2,0,0,0,0|0,0,0]=2 17926 B18R2.36301 CCOCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100011215890 [0,2,0,0,0,0|0,0,0]=2 17927 B18R2.36301 CCOCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210147 [0,2,0,0,0,0|1,0,0]=3 17928 B18R2.36301 CCOCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100011215890 [0,2,0,0,0,0|1,0,0]=3 17929 B18R2.36301 CCOCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210147 [0,2,0,0,0,0|1,0,0]=3 17930 B18R2.36301 CCOCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100011215890 [0,2,0,0,0,0|1,0,0]=3 17931 B18R2.36301 CCOCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210147 [0,2,0,0,0,0|1,0,0]=3 17932 B18R2.36301 CCOCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100011215890 [0,2,0,0,0,0|1,0,0]=3 17933 B18R2.36301 CCOCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210147 [0,2,0,0,0,0|2,0,0]=4 17934 B18R2.36301 CCOCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210147 [0,2,0,0,0,0|1,0,0]=3 17935 B18R2.36301 CCOCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100011215890 [0,2,0,0,0,0|1,0,0]=3 17936 B18R2.36301 CCOCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210147 [0,2,0,0,0,0|1,0,0]=3 17937 B18R2.36301 CCOCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100011215890 [0,2,0,0,0,0|1,0,0]=3 17938 B18R2.36301 CCOCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210147_100011934725 [0,2,0,0,0,0|1,1,0]=4 17939 B18R2.36301 CCOCCSc1ccc2c[n+](ccc2c1)C 62a_100000210147_100015191232 [0,2,0,0,0,0|1,1,0]=4 17940 B18R2.36301 CCOCCSc1ccc2cc(ccc2c1)Br 62a_100000210147_100012344972 [0,2,0,0,0,0|0,1,0]=3 17941 B18R2.36301 CCOCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100011215890 [0,2,0,0,0,0|0,1,0]=3 17942 B18R2.36301 CCOCCSc1ccc2cc(ccc2c1)F 62a_100000210147_100009817052 [0,2,0,0,0,0|0,1,0]=3 17943 B18R2.36301 CCOCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100011215890 [0,2,0,0,0,0|0,1,0]=3 17944 B18R2.36301 CCOCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100011215890 [0,2,0,0,0,0|0,1,0]=3 17945 B18R2.36301 CCOCCSc1ccc2cc(ccc2c1)N 62a_100000210147_100000185457 [0,2,0,0,0,0|0,1,0]=3 17946 B18R2.36301 CCOCCSc1ccc2cc(ccc2c1)O 62a_100000210147_100000185455 [0,2,0,0,0,0|0,1,0]=3 17947 B18R2.36301 CCOCCSc1ccc2cc(ccc2n1)C 62a_100000210147_100011865911 [0,2,0,0,0,0|1,1,0]=4 17948 B18R2.36301 CCOCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100011215890 [0,2,0,0,0,0|1,1,0]=4 17949 B18R2.36301 CCOCCSc1ccc2cc(ccc2n1)F 62a_100000210147_100011998705 [0,2,0,0,0,0|1,1,0]=4 17950 B18R2.36301 CCOCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100011215890 [0,2,0,0,0,0|1,1,0]=4 17951 B18R2.36301 CCOCCSc1ccc2cc(ccc2n1)O 62a_100000210147_100009849208 [0,2,0,0,0,0|1,1,0]=4 17952 B18R2.36301 CCOCCSc1ccc2cc(cnc2c1)Br 62a_100000210147_200015509644 [0,2,0,0,0,0|1,1,0]=4 17953 B18R2.36301 CCOCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100011215890 [0,2,0,0,0,0|1,1,0]=4 17954 B18R2.36301 CCOCCSc1ccc2cc(cnc2c1)C 62a_100000210147_100010751441 [0,2,0,0,0,0|1,1,0]=4 17955 B18R2.36301 CCOCCSc1ccc2cc(cnc2c1)F 62a_100000210147_100010751466 [0,2,0,0,0,0|1,1,0]=4 17956 B18R2.36301 CCOCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100011215890 [0,2,0,0,0,0|1,1,0]=4 17957 B18R2.36301 CCOCCSc1ccc2cc(cnc2c1)N 62a_100000210147_100010142226 [0,2,0,0,0,0|1,1,0]=4 17958 B18R2.36301 CCOCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100011215890 [0,2,0,0,0,0|1,1,0]=4 17959 B18R2.36301 CCOCCSc1ccc2cc(ncc2c1)N 62a_100000210147_100010232990 [0,2,0,0,0,0|1,1,0]=4 17960 B18R2.36301 CCOCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100011215890 [0,2,0,0,0,0|1,1,0]=4 17961 B18R2.36301 CCOCCSc1ccc2nc(ccc2c1)C 62a_100000210147_100000686635 [0,2,0,0,0,0|1,1,0]=4 17962 B18R2.36301 CCOCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100011215890 [0,2,0,0,0,0|1,1,0]=4 17963 B18R2.36301 CCOCCSc1ccc2nc(ccc2c1)Cl 62a_100000210147_200012034268 [0,2,0,0,0,0|1,1,0]=4 17964 B18R2.36301 CCOCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100011215890 [0,2,0,0,0,0|1,1,0]=4 17965 B18R2.36301 CCOCCSc1ccc2oc(=O)ccc2c1 62a_100000210147_100009999946 [0,2,0,0,0,0|1,1,0]=4 17966 B18R2.36301 CCOCCSc1cnc2cc(ccc2c1)Cl 62a_100000210147_100015716233 [0,2,0,0,0,0|1,1,0]=4 17967 B18R2.36301 CCOCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100011215890 [0,2,0,0,0,0|1,1,0]=4 17968 B18R2.36301 CCOCCSc1cnc2cc(ccc2c1)N 62a_100000210147_200010264087 [0,2,0,0,0,0|1,1,0]=4 17969 B18R2.36301 CCOCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100011215890 [0,2,0,0,0,0|1,1,0]=4 17970 B18R2.36301 CCOCCSc1cnc2cc(ccc2c1)O 62a_100000210147_200010153753 [0,2,0,0,0,0|1,1,0]=4 17971 B18R2.36301 CCOCSCc1ccc2cc(ccc2c1)Br 62a_100000739092_100012356510 [0,2,0,0,0,0|1,1,0]=4 17972 B18R2.36301 CCOCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100000739092 [0,2,0,0,0,0|1,1,0]=4 17973 B18R2.36301 CCSCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000757381 [0,2,0,0,0,0|1,0,0]=3 17974 B18R2.36301 CCSCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000757381 [0,2,0,0,0,0|1,0,0]=3 17975 B18R2.36301 CCSCCNc1ccc2cc(ccc2n1)C 27a_100000106463_100011865911 [0,2,0,0,0,0|2,0,0]=4 17976 B18R2.36301 CCSCCNc1ccc2cc(ccc2n1)F 27a_100000106463_100011998705 [0,2,0,0,0,0|2,0,0]=4 17977 B18R2.36301 CCSCCNc1ccc2cc(cnc2c1)Br 27a_100000106463_200015509644 [0,2,0,0,0,0|2,0,0]=4 17978 B18R2.36301 CCSCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000757381 [0,2,0,0,0,0|2,0,0]=4 17979 B18R2.36301 CCSCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000757381 [0,2,0,0,0,0|2,0,0]=4 17980 B18R2.36301 CCSCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000757381 [0,2,0,0,0,0|2,0,0]=4 17981 B18R2.36301 CCSCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000757381 [0,2,0,0,0,0|0,0,0]=2 17982 B18R2.36301 CCSCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000757381 [0,2,0,0,0,0|0,0,0]=2 17983 B18R2.36301 CCSCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000757381 [0,2,0,0,0,0|0,0,0]=2 17984 B18R2.36301 CCSCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000757381 [0,2,0,0,0,0|0,0,0]=2 17985 B18R2.36301 CCSCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000757381 [0,2,0,0,0,0|0,0,0]=2 17986 B18R2.36301 CCSCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000757381 [0,2,0,0,0,0|0,0,0]=2 17987 B18R2.36301 CCSCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000757381 [0,2,0,0,0,0|0,0,0]=2 17988 B18R2.36301 CCSCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000757381 [0,2,0,0,0,0|0,0,0]=2 17989 B18R2.36301 CCSCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000757381 [0,2,0,0,0,0|1,0,0]=3 17990 B18R2.36301 CCSCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000757381 [0,2,0,0,0,0|1,0,0]=3 17991 B18R2.36301 CCSCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000757381 [0,2,0,0,0,0|1,0,0]=3 17992 B18R2.36301 CCSCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000757381 [0,2,0,0,0,0|1,0,0]=3 17993 B18R2.36301 CCSCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000757381 [0,2,0,0,0,0|1,0,0]=3 17994 B18R2.36301 CCSCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000757381 [0,2,0,0,0,0|1,0,0]=3 17995 B18R2.36301 CCSCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000757381 [0,2,0,0,0,0|2,0,0]=4 17996 B18R2.36301 CCSCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000757381 [0,2,0,0,0,0|1,0,0]=3 17997 B18R2.36301 CCSCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000757381 [0,2,0,0,0,0|1,0,0]=3 17998 B18R2.36301 CCSCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000757381 [0,2,0,0,0,0|1,0,0]=3 17999 B18R2.36301 CCSCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000757381 [0,2,0,0,0,0|1,0,0]=3 18000 B18R2.36301 CCSCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000757381_100011934725 [0,2,0,0,0,0|1,1,0]=4 18001 B18R2.36301 CCSCCSc1ccc2c[n+](ccc2c1)C 62a_100000757381_100015191232 [0,2,0,0,0,0|1,1,0]=4 18002 B18R2.36301 CCSCCSc1ccc2cc(ccc2c1)F 62a_100000757381_100009817052 [0,2,0,0,0,0|0,1,0]=3 18003 B18R2.36301 CCSCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000757381 [0,2,0,0,0,0|0,1,0]=3 18004 B18R2.36301 CCSCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000757381 [0,2,0,0,0,0|0,1,0]=3 18005 B18R2.36301 CCSCCSc1ccc2cc(ccc2c1)N 62a_100000757381_100000185457 [0,2,0,0,0,0|0,1,0]=3 18006 B18R2.36301 CCSCCSc1ccc2cc(ccc2c1)O 62a_100000757381_100000185455 [0,2,0,0,0,0|0,1,0]=3 18007 B18R2.36301 CCSCCSc1ccc2cc(ccc2n1)C 62a_100000757381_100011865911 [0,2,0,0,0,0|1,1,0]=4 18008 B18R2.36301 CCSCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000757381 [0,2,0,0,0,0|1,1,0]=4 18009 B18R2.36301 CCSCCSc1ccc2cc(ccc2n1)F 62a_100000757381_100011998705 [0,2,0,0,0,0|1,1,0]=4 18010 B18R2.36301 CCSCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000757381 [0,2,0,0,0,0|1,1,0]=4 18011 B18R2.36301 CCSCCSc1ccc2cc(ccc2n1)O 62a_100000757381_100009849208 [0,2,0,0,0,0|1,1,0]=4 18012 B18R2.36301 CCSCCSc1ccc2cc(cnc2c1)Br 62a_100000757381_200015509644 [0,2,0,0,0,0|1,1,0]=4 18013 B18R2.36301 CCSCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000757381 [0,2,0,0,0,0|1,1,0]=4 18014 B18R2.36301 CCSCCSc1ccc2cc(cnc2c1)C 62a_100000757381_100010751441 [0,2,0,0,0,0|1,1,0]=4 18015 B18R2.36301 CCSCCSc1ccc2cc(cnc2c1)F 62a_100000757381_100010751466 [0,2,0,0,0,0|1,1,0]=4 18016 B18R2.36301 CCSCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000757381 [0,2,0,0,0,0|1,1,0]=4 18017 B18R2.36301 CCSCCSc1ccc2cc(cnc2c1)N 62a_100000757381_100010142226 [0,2,0,0,0,0|1,1,0]=4 18018 B18R2.36301 CCSCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000757381 [0,2,0,0,0,0|1,1,0]=4 18019 B18R2.36301 CCSCCSc1ccc2cc(ncc2c1)N 62a_100000757381_100010232990 [0,2,0,0,0,0|1,1,0]=4 18020 B18R2.36301 CCSCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000757381 [0,2,0,0,0,0|1,1,0]=4 18021 B18R2.36301 CCSCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000757381 [0,2,0,0,0,0|1,1,0]=4 18022 B18R2.36301 CCSCCSc1ccc2nc(ccc2c1)C 62a_100000757381_100000686635 [0,2,0,0,0,0|1,1,0]=4 18023 B18R2.36301 CCSCCSc1ccc2nc(ccc2c1)Cl 62a_100000757381_200012034268 [0,2,0,0,0,0|1,1,0]=4 18024 B18R2.36301 CCSCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000757381 [0,2,0,0,0,0|1,1,0]=4 18025 B18R2.36301 CCSCCSc1ccc2oc(=O)ccc2c1 62a_100000757381_100009999946 [0,2,0,0,0,0|1,1,0]=4 18026 B18R2.36301 CCSCCSc1cnc2cc(ccc2c1)Cl 62a_100000757381_100015716233 [0,2,0,0,0,0|1,1,0]=4 18027 B18R2.36301 CCSCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000757381 [0,2,0,0,0,0|1,1,0]=4 18028 B18R2.36301 CCSCCSc1cnc2cc(ccc2c1)N 62a_100000757381_200010264087 [0,2,0,0,0,0|1,1,0]=4 18029 B18R2.36301 CCSCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000757381 [0,2,0,0,0,0|1,1,0]=4 18030 B18R2.36301 CCSCCSc1cnc2cc(ccc2c1)O 62a_100000757381_200010153753 [0,2,0,0,0,0|1,1,0]=4 18031 B18R2.36301 COCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000740836 [0,2,0,0,0,0|1,0,0]=3 18032 B18R2.36301 COCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000740836 [0,2,0,0,0,0|1,0,0]=3 18033 B18R2.36301 COCCCNc1ccc2cc(ccc2n1)C 27a_100150723488_100011865911 [0,2,0,0,0,0|2,0,0]=4 18034 B18R2.36301 COCCCNc1ccc2cc(ccc2n1)F 27a_100150723488_100011998705 [0,2,0,0,0,0|2,0,0]=4 18035 B18R2.36301 COCCCNc1ccc2cc(cnc2c1)Br 27a_100150723488_200015509644 [0,2,0,0,0,0|2,0,0]=4 18036 B18R2.36301 COCCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000740836 [0,2,0,0,0,0|2,0,0]=4 18037 B18R2.36301 COCCCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000740836 [0,2,0,0,0,0|2,0,0]=4 18038 B18R2.36301 COCCCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000740836 [0,2,0,0,0,0|2,0,0]=4 18039 B18R2.36301 COCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000740836 [0,2,0,0,0,0|0,0,0]=2 18040 B18R2.36301 COCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000740836 [0,2,0,0,0,0|0,0,0]=2 18041 B18R2.36301 COCCCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000740836 [0,2,0,0,0,0|0,0,0]=2 18042 B18R2.36301 COCCCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000740836 [0,2,0,0,0,0|0,0,0]=2 18043 B18R2.36301 COCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000740836 [0,2,0,0,0,0|0,0,0]=2 18044 B18R2.36301 COCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000740836 [0,2,0,0,0,0|0,0,0]=2 18045 B18R2.36301 COCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000740836 [0,2,0,0,0,0|0,0,0]=2 18046 B18R2.36301 COCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000740836 [0,2,0,0,0,0|0,0,0]=2 18047 B18R2.36301 COCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000740836 [0,2,0,0,0,0|1,0,0]=3 18048 B18R2.36301 COCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000740836 [0,2,0,0,0,0|1,0,0]=3 18049 B18R2.36301 COCCCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000740836 [0,2,0,0,0,0|1,0,0]=3 18050 B18R2.36301 COCCCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000740836 [0,2,0,0,0,0|1,0,0]=3 18051 B18R2.36301 COCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000740836 [0,2,0,0,0,0|1,0,0]=3 18052 B18R2.36301 COCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000740836 [0,2,0,0,0,0|1,0,0]=3 18053 B18R2.36301 COCCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000740836 [0,2,0,0,0,0|2,0,0]=4 18054 B18R2.36301 COCCCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000740836 [0,2,0,0,0,0|1,0,0]=3 18055 B18R2.36301 COCCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000740836 [0,2,0,0,0,0|1,0,0]=3 18056 B18R2.36301 COCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000740836 [0,2,0,0,0,0|1,0,0]=3 18057 B18R2.36301 COCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000740836 [0,2,0,0,0,0|1,0,0]=3 18058 B18R2.36301 COCCCSc1ccc2[nH]c(=O)ccc2c1 62a_100000709357_100011934725 [0,2,0,0,0,0|1,1,0]=4 18059 B18R2.36301 COCCCSc1ccc2c[n+](ccc2c1)C 62a_100000709357_100015191232 [0,2,0,0,0,0|1,1,0]=4 18060 B18R2.36301 COCCCSc1ccc2cc(ccc2c1)Br 62a_100000709357_100012344972 [0,2,0,0,0,0|0,1,0]=3 18061 B18R2.36301 COCCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000709357 [0,2,0,0,0,0|0,1,0]=3 18062 B18R2.36301 COCCCSc1ccc2cc(ccc2c1)F 62a_100000709357_100009817052 [0,2,0,0,0,0|0,1,0]=3 18063 B18R2.36301 COCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000709357 [0,2,0,0,0,0|0,1,0]=3 18064 B18R2.36301 COCCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000709357 [0,2,0,0,0,0|0,1,0]=3 18065 B18R2.36301 COCCCSc1ccc2cc(ccc2c1)N 62a_100000709357_100000185457 [0,2,0,0,0,0|0,1,0]=3 18066 B18R2.36301 COCCCSc1ccc2cc(ccc2c1)O 62a_100000709357_100000185455 [0,2,0,0,0,0|0,1,0]=3 18067 B18R2.36301 COCCCSc1ccc2cc(ccc2n1)C 62a_100000709357_100011865911 [0,2,0,0,0,0|1,1,0]=4 18068 B18R2.36301 COCCCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000709357 [0,2,0,0,0,0|1,1,0]=4 18069 B18R2.36301 COCCCSc1ccc2cc(ccc2n1)F 62a_100000709357_100011998705 [0,2,0,0,0,0|1,1,0]=4 18070 B18R2.36301 COCCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000709357 [0,2,0,0,0,0|1,1,0]=4 18071 B18R2.36301 COCCCSc1ccc2cc(ccc2n1)O 62a_100000709357_100009849208 [0,2,0,0,0,0|1,1,0]=4 18072 B18R2.36301 COCCCSc1ccc2cc(cnc2c1)Br 62a_100000709357_200015509644 [0,2,0,0,0,0|1,1,0]=4 18073 B18R2.36301 COCCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000709357 [0,2,0,0,0,0|1,1,0]=4 18074 B18R2.36301 COCCCSc1ccc2cc(cnc2c1)C 62a_100000709357_100010751441 [0,2,0,0,0,0|1,1,0]=4 18075 B18R2.36301 COCCCSc1ccc2cc(cnc2c1)F 62a_100000709357_100010751466 [0,2,0,0,0,0|1,1,0]=4 18076 B18R2.36301 COCCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000709357 [0,2,0,0,0,0|1,1,0]=4 18077 B18R2.36301 COCCCSc1ccc2cc(cnc2c1)N 62a_100000709357_100010142226 [0,2,0,0,0,0|1,1,0]=4 18078 B18R2.36301 COCCCSc1ccc2cc(cnc2c1)N 62a_100010142226_100000709357 [0,2,0,0,0,0|1,1,0]=4 18079 B18R2.36301 COCCCSc1ccc2cc(ncc2c1)N 62a_100000709357_100010232990 [0,2,0,0,0,0|1,1,0]=4 18080 B18R2.36301 COCCCSc1ccc2cc(ncc2c1)N 62a_100010232990_100000709357 [0,2,0,0,0,0|1,1,0]=4 18081 B18R2.36301 COCCCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000709357 [0,2,0,0,0,0|1,1,0]=4 18082 B18R2.36301 COCCCSc1ccc2nc(ccc2c1)C 62a_100000709357_100000686635 [0,2,0,0,0,0|1,1,0]=4 18083 B18R2.36301 COCCCSc1ccc2nc(ccc2c1)Cl 62a_100000709357_200012034268 [0,2,0,0,0,0|1,1,0]=4 18084 B18R2.36301 COCCCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000709357 [0,2,0,0,0,0|1,1,0]=4 18085 B18R2.36301 COCCCSc1ccc2oc(=O)ccc2c1 62a_100000709357_100009999946 [0,2,0,0,0,0|1,1,0]=4 18086 B18R2.36301 COCCCSc1cnc2cc(ccc2c1)Cl 62a_100000709357_100015716233 [0,2,0,0,0,0|1,1,0]=4 18087 B18R2.36301 COCCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000709357 [0,2,0,0,0,0|1,1,0]=4 18088 B18R2.36301 COCCCSc1cnc2cc(ccc2c1)N 62a_100000709357_200010264087 [0,2,0,0,0,0|1,1,0]=4 18089 B18R2.36301 COCCCSc1cnc2cc(ccc2c1)N 62a_200010264087_100000709357 [0,2,0,0,0,0|1,1,0]=4 18090 B18R2.36301 COCCCSc1cnc2cc(ccc2c1)O 62a_100000709357_200010153753 [0,2,0,0,0,0|1,1,0]=4 18091 B18R2.36301 COCCNCc1ccc2cc(ccc2c1)Br 207a_100000209980_100012356508 [0,2,0,0,0,0|2,0,0]=4 18092 B18R2.36301 COCCNCc1ccc2cc(ccc2c1)Br 2230a_100000209980_100012356510 [0,2,0,0,0,0|2,0,0]=4 18093 B18R2.36301 COCCNCc1ccc2cc(ccc2c1)Br 270004a_100000209980_100012356508 [0,2,0,0,0,0|2,0,0]=4 18094 B18R2.36301 COCCNCc1ccc2cc(ccc2c1)O 207a_100000209980_100000067190 [0,2,0,0,0,0|2,0,0]=4 18095 B18R2.36301 COCCNCc1ccc2cc(ccc2c1)O 270004a_100000209980_100000067190 [0,2,0,0,0,0|2,0,0]=4 18096 B18R2.36301 COCCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100011201679 [0,2,0,0,0,0|2,0,0]=4 18097 B18R2.36301 COCCOCc1cc2ccc(cc2cn1)Cl 34a_100000210237_200010408301 [0,2,0,0,0,0|2,0,0]=4 18098 B18R2.36301 COCCOCc1ccc2cc(ccc2c1)Br 34a_100000210237_100012356510 [0,2,0,0,0,0|1,0,0]=3 18099 B18R2.36301 COCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100011201679 [0,2,0,0,0,0|1,0,0]=3 18100 B18R2.36301 COCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000233755 [0,2,0,0,0,0|1,0,0]=3 18101 B18R2.36301 COCCOCc1ccc2cc(ccc2n1)C 34a_100000210237_100009884411 [0,2,0,0,0,0|2,0,0]=4 18102 B18R2.36301 COCCOCc1ccc2nc(ccc2c1)C 34a_100011934618_100011201679 [0,2,0,0,0,0|2,0,0]=4 18103 B18R2.36301 COCCSCc1ccc2cc(ccc2c1)Br 62a_100000233755_100012356510 [0,2,0,0,0,0|1,1,0]=4 18104 B18R2.36301 COCCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100000233755 [0,2,0,0,0,0|1,1,0]=4 18105 B18R2.36301 CSCCCNc1ccc2cc(ccc2n1)C 27a_100000749238_100011865911 [0,2,0,0,0,0|2,0,0]=4 18106 B18R2.36301 CSCCCNc1ccc2cc(ccc2n1)F 27a_100000749238_100011998705 [0,2,0,0,0,0|2,0,0]=4 18107 B18R2.36301 CSCCCNc1ccc2cc(cnc2c1)Br 27a_100000749238_200015509644 [0,2,0,0,0,0|2,0,0]=4 18108 B18R2.36301 CSCCNCc1ccc2cc(ccc2c1)Br 207a_100020590264_100012356508 [0,2,0,0,0,0|2,0,0]=4 18109 B18R2.36301 CSCCNCc1ccc2cc(ccc2c1)Br 2230a_100020590264_100012356510 [0,2,0,0,0,0|2,0,0]=4 18110 B18R2.36301 CSCCNCc1ccc2cc(ccc2c1)Br 270004a_100020590264_100012356508 [0,2,0,0,0,0|2,0,0]=4 18111 B18R2.36301 CSCCNCc1ccc2cc(ccc2c1)O 207a_100020590264_100000067190 [0,2,0,0,0,0|2,0,0]=4 18112 B18R2.36301 CSCCNCc1ccc2cc(ccc2c1)O 270004a_100020590264_100000067190 [0,2,0,0,0,0|2,0,0]=4 18113 B18R2.36301 CSCCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000212216 [0,2,0,0,0,0|2,0,0]=4 18114 B18R2.36301 CSCCOCc1cc2ccc(cc2cn1)Cl 34a_100000230434_200010408301 [0,2,0,0,0,0|2,0,0]=4 18115 B18R2.36301 CSCCOCc1cc2ccc(cc2cn1)Cl 7a_100000230434_200010408301 [0,2,0,0,0,0|2,0,0]=4 18116 B18R2.36301 CSCCOCc1ccc2cc(ccc2c1)Br 34a_100000230434_100012356510 [0,2,0,0,0,0|1,0,0]=3 18117 B18R2.36301 CSCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000212216 [0,2,0,0,0,0|1,0,0]=3 18118 B18R2.36301 CSCCOCc1ccc2cc(ccc2c1)Br 7a_100000230434_100012356510 [0,2,0,0,0,0|1,0,0]=3 18119 B18R2.36301 CSCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000212216 [0,2,0,0,0,0|1,0,0]=3 18120 B18R2.36301 CSCCOCc1ccc2cc(ccc2n1)C 34a_100000230434_100009884411 [0,2,0,0,0,0|2,0,0]=4 18121 B18R2.36301 CSCCOCc1ccc2cc(ccc2n1)C 7a_100000230434_100009884411 [0,2,0,0,0,0|2,0,0]=4 18122 B18R2.36301 CSCCOCc1ccc2nc(ccc2c1)C 34a_100011934618_100000212216 [0,2,0,0,0,0|2,0,0]=4 18123 B18R2.36301 CSCCOCc1ccc2oc(=O)ccc2c1 7a_100000230434_200010983872 [0,2,0,0,0,0|2,0,0]=4 18124 B18R2.36301 C[n+]1ccc2cc(ccc2c1)SCCCCF 62a_100000729493_100015191232 [0,2,0,0,0,0|1,1,0]=4 18125 B18R2.36301 C[n+]1ccc2cc(ccc2c1)SCCCCO 62a_100000210776_100015191232 [0,2,0,0,0,0|1,1,0]=4 18126 B18R2.36301 Cc1ccc2cc(ccc2c1)OCC#CCO 34a_100000074090_200000047223 [0,2,0,0,0,0|0,0,2]=4 18127 B18R2.36301 Cc1ccc2cc(ccc2c1)OCC#CCO 7a_100000074090_200000047223 [0,2,0,0,0,0|0,0,2]=4 18128 B18R2.36301 Cc1ccc2cc(ccc2c1)OCCCC#N 7a_100000074090_100000687738 [0,2,0,0,0,0|0,0,1]=3 18129 B18R2.36301 Cc1ccc2cc(ccc2c1)OCCCC=O 7a_100000074090_200011292268 [0,2,0,0,0,0|0,0,1]=3 18130 B18R2.36301 Cc1ccc2cc(ccc2c1)OCCCCF 34a_100000074090_100000729493 [0,2,0,0,0,0|0,0,0]=2 18131 B18R2.36301 Cc1ccc2cc(ccc2c1)OCCCCF 7a_100000074090_100000729493 [0,2,0,0,0,0|0,0,0]=2 18132 B18R2.36301 Cc1ccc2cc(ccc2c1)OCCCCO 34a_100000074090_100011216708 [0,2,0,0,0,0|0,0,0]=2 18133 B18R2.36301 Cc1ccc2cc(ccc2c1)OCCCCO 7a_100000074090_100000210776 [0,2,0,0,0,0|0,0,0]=2 18134 B18R2.36301 Cc1ccc2cc(ccc2n1)COCCCF 34a_100011934618_100011934791 [0,2,0,0,0,0|2,0,0]=4 18135 B18R2.36301 Cc1ccc2cc(ccc2n1)COCCCO 34a_100011934618_100000230001 [0,2,0,0,0,0|2,0,0]=4 18136 B18R2.36301 Cc1ccc2cc(ccc2n1)NCCCCF 34a_100011216442_100000729493 [0,2,0,0,0,0|2,0,0]=4 18137 B18R2.36301 Cc1ccc2cc(ccc2n1)NCCCCO 34a_100011216442_100011216708 [0,2,0,0,0,0|2,0,0]=4 18138 B18R2.36301 Cc1ccc2cc(ccc2n1)OCCCC#N 7a_100000037634_100000687738 [0,2,0,0,0,0|1,0,1]=4 18139 B18R2.36301 Cc1ccc2cc(ccc2n1)OCCCC=O 7a_100000037634_200011292268 [0,2,0,0,0,0|1,0,1]=4 18140 B18R2.36301 Cc1ccc2cc(ccc2n1)OCCCCF 34a_100000037634_100000729493 [0,2,0,0,0,0|1,0,0]=3 18141 B18R2.36301 Cc1ccc2cc(ccc2n1)OCCCCF 7a_100000037634_100000729493 [0,2,0,0,0,0|1,0,0]=3 18142 B18R2.36301 Cc1ccc2cc(ccc2n1)OCCCCO 34a_100000037634_100011216708 [0,2,0,0,0,0|1,0,0]=3 18143 B18R2.36301 Cc1ccc2cc(ccc2n1)OCCCCO 7a_100000037634_100000210776 [0,2,0,0,0,0|1,0,0]=3 18144 B18R2.36301 Cc1ccc2cc(ccc2n1)SCCCCF 62a_100000686635_100000729493 [0,2,0,0,0,0|1,1,0]=4 18145 B18R2.36301 Cc1ccc2cc(ccc2n1)SCCCCF 62a_100000729493_100000686635 [0,2,0,0,0,0|1,1,0]=4 18146 B18R2.36301 Cc1ccc2cc(ccc2n1)SCCCCO 62a_100000210776_100000686635 [0,2,0,0,0,0|1,1,0]=4 18147 B18R2.36301 Cc1ccc2cc(ccc2n1)SCCCCO 62a_100000686635_100000210776 [0,2,0,0,0,0|1,1,0]=4 18148 B18R2.36301 Cc1ccc2nc(ccc2c1)COCCCBr 34a_100011217188_100009884411 [0,2,0,0,0,0|2,0,0]=4 18149 B18R2.36301 Cc1ccc2nc(ccc2c1)COCCCCl 34a_100000230001_100009884411 [0,2,0,0,0,0|2,0,0]=4 18150 B18R2.36301 Cc1ccc2nc(ccc2c1)COCCCF 34a_100000759539_100009884411 [0,2,0,0,0,0|2,0,0]=4 18151 B18R2.36301 Cc1ccc2nc(ccc2c1)COCCCN 34a_100000182051_100009884411 [0,2,0,0,0,0|2,0,0]=4 18152 B18R2.36301 Cc1ccc2nc(ccc2c1)NCCCCO 27a_100000750430_100011865911 [0,2,0,0,0,0|2,0,0]=4 18153 B18R2.36301 Cc1ccc2nc(ccc2c1)SCCCCF 62a_100000729493_100011865911 [0,2,0,0,0,0|1,1,0]=4 18154 B18R2.36301 Cc1ccc2nc(ccc2c1)SCCCCF 62a_200000181977_100000729493 [0,2,0,0,0,0|1,1,0]=4 18155 B18R2.36301 Cc1ccc2nc(ccc2c1)SCCCCO 62a_100000210776_100011865911 [0,2,0,0,0,0|1,1,0]=4 18156 B18R2.36301 Cc1ccc2nc(ccc2c1)SCCCCO 62a_200000181977_100000210776 [0,2,0,0,0,0|1,1,0]=4 18157 B18R2.36301 Cc1cnc2cc(ccc2c1)SCCCCF 62a_100000729493_100010751441 [0,2,0,0,0,0|1,1,0]=4 18158 B18R2.36301 Cc1cnc2cc(ccc2c1)SCCCCO 62a_100000210776_100010751441 [0,2,0,0,0,0|1,1,0]=4 18159 B18R2.36301 ClCCCOCc1cc2ccc(cc2cn1)Cl 34a_100000230001_200010408301 [0,2,0,0,0,0|2,0,0]=4 18160 B18R2.36301 ClCCCOCc1ccc2cc(ccc2c1)Br 34a_100000230001_100012356510 [0,2,0,0,0,0|1,0,0]=3 18161 B18R2.36301 Clc1ccc2cc(ncc2c1)COCCCBr 34a_100011217188_200010408301 [0,2,0,0,0,0|2,0,0]=4 18162 B18R2.36301 FCCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000729493 [0,2,0,0,0,0|1,0,0]=3 18163 B18R2.36301 FCCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000729493 [0,2,0,0,0,0|1,0,0]=3 18164 B18R2.36301 FCCCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000729493 [0,2,0,0,0,0|2,0,0]=4 18165 B18R2.36301 FCCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000729493 [0,2,0,0,0,0|0,0,0]=2 18166 B18R2.36301 FCCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000729493 [0,2,0,0,0,0|0,0,0]=2 18167 B18R2.36301 FCCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000729493 [0,2,0,0,0,0|0,0,0]=2 18168 B18R2.36301 FCCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000729493 [0,2,0,0,0,0|0,0,0]=2 18169 B18R2.36301 FCCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000729493 [0,2,0,0,0,0|0,0,0]=2 18170 B18R2.36301 FCCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000729493 [0,2,0,0,0,0|0,0,0]=2 18171 B18R2.36301 FCCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000729493 [0,2,0,0,0,0|1,0,0]=3 18172 B18R2.36301 FCCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000729493 [0,2,0,0,0,0|1,0,0]=3 18173 B18R2.36301 FCCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000729493 [0,2,0,0,0,0|1,0,0]=3 18174 B18R2.36301 FCCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000729493 [0,2,0,0,0,0|1,0,0]=3 18175 B18R2.36301 FCCCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000729493 [0,2,0,0,0,0|2,0,0]=4 18176 B18R2.36301 FCCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000729493 [0,2,0,0,0,0|1,0,0]=3 18177 B18R2.36301 FCCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000729493 [0,2,0,0,0,0|1,0,0]=3 18178 B18R2.36301 FCCCCSc1ccc2cc(ccc2c1)F 62a_100000729493_100009817052 [0,2,0,0,0,0|0,1,0]=3 18179 B18R2.36301 FCCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000729493 [0,2,0,0,0,0|0,1,0]=3 18180 B18R2.36301 FCCCCSc1ccc2cc(ccc2n1)F 62a_100000729493_100011998705 [0,2,0,0,0,0|1,1,0]=4 18181 B18R2.36301 FCCCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000729493 [0,2,0,0,0,0|1,1,0]=4 18182 B18R2.36301 FCCCCSc1ccc2cc(cnc2c1)Br 62a_100000729493_200015509644 [0,2,0,0,0,0|1,1,0]=4 18183 B18R2.36301 FCCCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000729493 [0,2,0,0,0,0|1,1,0]=4 18184 B18R2.36301 FCCCCSc1ccc2cc(cnc2c1)F 62a_100000729493_100010751466 [0,2,0,0,0,0|1,1,0]=4 18185 B18R2.36301 FCCCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000729493 [0,2,0,0,0,0|1,1,0]=4 18186 B18R2.36301 FCCCCSc1ccc2nc(ccc2c1)Cl 62a_100000729493_200012034268 [0,2,0,0,0,0|1,1,0]=4 18187 B18R2.36301 FCCCCSc1cnc2cc(ccc2c1)Cl 62a_100000729493_100015716233 [0,2,0,0,0,0|1,1,0]=4 18188 B18R2.36301 FCCCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000729493 [0,2,0,0,0,0|1,1,0]=4 18189 B18R2.36301 FCCCNCc1ccc2cc(ccc2c1)Br 207a_100015189416_100012356508 [0,2,0,0,0,0|2,0,0]=4 18190 B18R2.36301 FCCCNCc1ccc2cc(ccc2c1)Br 2230a_100015189416_100012356510 [0,2,0,0,0,0|2,0,0]=4 18191 B18R2.36301 FCCCNCc1ccc2cc(ccc2c1)Br 270004a_100015189416_100012356508 [0,2,0,0,0,0|2,0,0]=4 18192 B18R2.36301 FCCCNCc1ccc2cc(ccc2c1)Br 34a_100015189416_100012356510 [0,2,0,0,0,0|2,0,0]=4 18193 B18R2.36301 FCCCOCc1cc2ccc(cc2cn1)Cl 34a_100000759539_200010408301 [0,2,0,0,0,0|2,0,0]=4 18194 B18R2.36301 FCCCOCc1ccc2cc(ccc2c1)Br 34a_100000759539_100012356510 [0,2,0,0,0,0|1,0,0]=3 18195 B18R2.36301 FCCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100011934791 [0,2,0,0,0,0|1,0,0]=3 18196 B18R2.36301 FCCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100011934791 [0,2,0,0,0,0|1,0,0]=3 18197 B18R2.36301 N#CCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000687738 [0,2,0,0,0,0|1,0,1]=4 18198 B18R2.36301 N#CCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000687738 [0,2,0,0,0,0|0,0,1]=3 18199 B18R2.36301 N#CCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000687738 [0,2,0,0,0,0|0,0,1]=3 18200 B18R2.36301 N#CCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000687738 [0,2,0,0,0,0|0,0,1]=3 18201 B18R2.36301 N#CCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000687738 [0,2,0,0,0,0|1,0,1]=4 18202 B18R2.36301 N#CCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000687738 [0,2,0,0,0,0|1,0,1]=4 18203 B18R2.36301 N#CCCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000687738 [0,2,0,0,0,0|1,0,1]=4 18204 B18R2.36301 N#CCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000687738 [0,2,0,0,0,0|1,0,1]=4 18205 B18R2.36301 N#CCCCSc1ccc2cc(ccc2c1)F 62a_100000687738_100009817052 [0,2,0,0,0,0|0,1,1]=4 18206 B18R2.36301 N#CCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000687738 [0,2,0,0,0,0|0,1,1]=4 18207 B18R2.36301 N#CCCCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000687738 [0,2,0,0,0,0|0,1,1]=4 18208 B18R2.36301 N#CCCCSc1ccc2cc(ccc2c1)N 62a_100000687738_100000185457 [0,2,0,0,0,0|0,1,1]=4 18209 B18R2.36301 N#CCCCSc1ccc2cc(ccc2c1)O 62a_100000687738_100000185455 [0,2,0,0,0,0|0,1,1]=4 18210 B18R2.36301 N#CCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100000184422 [0,2,0,0,0,0|1,0,1]=4 18211 B18R2.36301 NCCCOCc1cc2ccc(cc2cn1)Cl 34a_100000182051_200010408301 [0,2,0,0,0,0|2,0,0]=4 18212 B18R2.36301 NCCCOCc1ccc2cc(ccc2c1)Br 34a_100000182051_100012356510 [0,2,0,0,0,0|1,0,0]=3 18213 B18R2.36301 NOCCOCc1ccc2cc(ccc2c1)Br 34a_100000700252_100012356510 [0,2,0,0,0,0|2,0,0]=4 18214 B18R2.36301 Nc1cc2ccc(cc2cn1)SCCCCF 62a_100000729493_100010232990 [0,2,0,0,0,0|1,1,0]=4 18215 B18R2.36301 Nc1cc2ccc(cc2cn1)SCCCCF 62a_100010232990_100000729493 [0,2,0,0,0,0|1,1,0]=4 18216 B18R2.36301 Nc1cc2ccc(cc2cn1)SCCCCO 62a_100000210776_100010232990 [0,2,0,0,0,0|1,1,0]=4 18217 B18R2.36301 Nc1cc2ccc(cc2cn1)SCCCCO 62a_100010232990_100000210776 [0,2,0,0,0,0|1,1,0]=4 18218 B18R2.36301 Nc1ccc2cc(ccc2c1)SCCCC=O 62a_100000185457_200011292268 [0,2,0,0,0,0|0,1,1]=4 18219 B18R2.36301 Nc1ccc2cc(ccc2c1)SCCCC=O 62a_200011292268_100000185457 [0,2,0,0,0,0|0,1,1]=4 18220 B18R2.36301 Nc1ccc2cc(ccc2c1)SCCCCF 62a_100000185457_100000729493 [0,2,0,0,0,0|0,1,0]=3 18221 B18R2.36301 Nc1ccc2cc(ccc2c1)SCCCCF 62a_100000729493_100000185457 [0,2,0,0,0,0|0,1,0]=3 18222 B18R2.36301 Nc1ccc2cc(ccc2c1)SCCCCO 62a_100000185457_100000210776 [0,2,0,0,0,0|0,1,0]=3 18223 B18R2.36301 Nc1ccc2cc(ccc2c1)SCCCCO 62a_100000210776_100000185457 [0,2,0,0,0,0|0,1,0]=3 18224 B18R2.36301 Nc1ccc2cc(ccc2n1)SCCCCF 62a_100011934619_100000729493 [0,2,0,0,0,0|1,1,0]=4 18225 B18R2.36301 Nc1ccc2cc(ccc2n1)SCCCCO 62a_100011934619_100000210776 [0,2,0,0,0,0|1,1,0]=4 18226 B18R2.36301 Nc1ccc2cc(cnc2c1)SCCCCF 62a_100000729493_200010264087 [0,2,0,0,0,0|1,1,0]=4 18227 B18R2.36301 Nc1ccc2cc(cnc2c1)SCCCCF 62a_200010264087_100000729493 [0,2,0,0,0,0|1,1,0]=4 18228 B18R2.36301 Nc1ccc2cc(cnc2c1)SCCCCO 62a_100000210776_200010264087 [0,2,0,0,0,0|1,1,0]=4 18229 B18R2.36301 Nc1ccc2cc(cnc2c1)SCCCCO 62a_200010264087_100000210776 [0,2,0,0,0,0|1,1,0]=4 18230 B18R2.36301 Nc1cnc2cc(ccc2c1)SCCCCF 62a_100000729493_100010142226 [0,2,0,0,0,0|1,1,0]=4 18231 B18R2.36301 Nc1cnc2cc(ccc2c1)SCCCCF 62a_100010142226_100000729493 [0,2,0,0,0,0|1,1,0]=4 18232 B18R2.36301 Nc1cnc2cc(ccc2c1)SCCCCO 62a_100000210776_100010142226 [0,2,0,0,0,0|1,1,0]=4 18233 B18R2.36301 Nc1cnc2cc(ccc2c1)SCCCCO 62a_100010142226_100000210776 [0,2,0,0,0,0|1,1,0]=4 18234 B18R2.36301 O=CCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_200011292268 [0,2,0,0,0,0|1,0,1]=4 18235 B18R2.36301 O=CCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_200011292268 [0,2,0,0,0,0|0,0,1]=3 18236 B18R2.36301 O=CCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_200011292268 [0,2,0,0,0,0|0,0,1]=3 18237 B18R2.36301 O=CCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_200011292268 [0,2,0,0,0,0|0,0,1]=3 18238 B18R2.36301 O=CCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_200011292268 [0,2,0,0,0,0|1,0,1]=4 18239 B18R2.36301 O=CCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_200011292268 [0,2,0,0,0,0|1,0,1]=4 18240 B18R2.36301 O=CCCCOc1ccc2oc(=O)ccc2c1 7a_100000066265_200011292268 [0,2,0,0,0,0|1,0,1]=4 18241 B18R2.36301 O=CCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_200011292268 [0,2,0,0,0,0|1,0,1]=4 18242 B18R2.36301 O=CCCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_200011292268 [0,2,0,0,0,0|0,1,1]=4 18243 B18R2.36301 O=CCCCSc1ccc2cc(ccc2c1)Br 62a_200011292268_100012344972 [0,2,0,0,0,0|0,1,1]=4 18244 B18R2.36301 O=CCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_200011292268 [0,2,0,0,0,0|0,1,1]=4 18245 B18R2.36301 O=CCCCSc1ccc2cc(ccc2c1)F 62a_200011292268_100009817052 [0,2,0,0,0,0|0,1,1]=4 18246 B18R2.36301 O=CCCCSc1ccc2cc(ccc2c1)O 62a_200011292268_100000185455 [0,2,0,0,0,0|0,1,1]=4 18247 B18R2.36301 O=c1ccc2cc(ccc2[nH]1)SCCCCF 62a_100000729493_100011934725 [0,2,0,0,0,0|1,1,0]=4 18248 B18R2.36301 O=c1ccc2cc(ccc2[nH]1)SCCCCO 62a_100000210776_100011934725 [0,2,0,0,0,0|1,1,0]=4 18249 B18R2.36301 O=c1ccc2cc(ccc2o1)NCCCCF 7a_100000008519_100000729493 [0,2,0,0,0,0|2,0,0]=4 18250 B18R2.36301 O=c1ccc2cc(ccc2o1)NCCCCO 7a_100000008519_100000210776 [0,2,0,0,0,0|2,0,0]=4 18251 B18R2.36301 O=c1ccc2cc(ccc2o1)OCCCCF 34a_100000066265_100000729493 [0,2,0,0,0,0|1,0,0]=3 18252 B18R2.36301 O=c1ccc2cc(ccc2o1)OCCCCF 7a_100000066265_100000729493 [0,2,0,0,0,0|1,0,0]=3 18253 B18R2.36301 O=c1ccc2cc(ccc2o1)OCCCCO 34a_100000066265_100011216708 [0,2,0,0,0,0|1,0,0]=3 18254 B18R2.36301 O=c1ccc2cc(ccc2o1)OCCCCO 7a_100000066265_100000210776 [0,2,0,0,0,0|1,0,0]=3 18255 B18R2.36301 O=c1ccc2cc(ccc2o1)SCCCCF 62a_100000729493_100009999946 [0,2,0,0,0,0|1,1,0]=4 18256 B18R2.36301 O=c1ccc2cc(ccc2o1)SCCCCO 62a_100000210776_100009999946 [0,2,0,0,0,0|1,1,0]=4 18257 B18R2.36301 OCC#CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_200000047223 [0,2,0,0,0,0|0,0,2]=4 18258 B18R2.36301 OCC#CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_200000047223 [0,2,0,0,0,0|0,0,2]=4 18259 B18R2.36301 OCC#CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_200000047223 [0,2,0,0,0,0|0,0,2]=4 18260 B18R2.36301 OCC#CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_200000047223 [0,2,0,0,0,0|0,0,2]=4 18261 B18R2.36301 OCC#CCOc1ccc2cc(ccc2c1)F 34a_100009847029_200000047223 [0,2,0,0,0,0|0,0,2]=4 18262 B18R2.36301 OCC#CCOc1ccc2cc(ccc2c1)F 7a_100009847029_200000047223 [0,2,0,0,0,0|0,0,2]=4 18263 B18R2.36301 OCCCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011216708 [0,2,0,0,0,0|1,0,0]=3 18264 B18R2.36301 OCCCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210776 [0,2,0,0,0,0|1,0,0]=3 18265 B18R2.36301 OCCCCNc1ccc2cc(ccc2n1)F 27a_100000750430_100011998705 [0,2,0,0,0,0|2,0,0]=4 18266 B18R2.36301 OCCCCNc1ccc2cc(cnc2c1)Br 27a_100000750430_200015509644 [0,2,0,0,0,0|2,0,0]=4 18267 B18R2.36301 OCCCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100011216708 [0,2,0,0,0,0|2,0,0]=4 18268 B18R2.36301 OCCCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100011216708 [0,2,0,0,0,0|0,0,0]=2 18269 B18R2.36301 OCCCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210776 [0,2,0,0,0,0|0,0,0]=2 18270 B18R2.36301 OCCCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100011216708 [0,2,0,0,0,0|0,0,0]=2 18271 B18R2.36301 OCCCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210776 [0,2,0,0,0,0|0,0,0]=2 18272 B18R2.36301 OCCCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100011216708 [0,2,0,0,0,0|0,0,0]=2 18273 B18R2.36301 OCCCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210776 [0,2,0,0,0,0|0,0,0]=2 18274 B18R2.36301 OCCCCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100011216708 [0,2,0,0,0,0|1,0,0]=3 18275 B18R2.36301 OCCCCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210776 [0,2,0,0,0,0|1,0,0]=3 18276 B18R2.36301 OCCCCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100011216708 [0,2,0,0,0,0|1,0,0]=3 18277 B18R2.36301 OCCCCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210776 [0,2,0,0,0,0|1,0,0]=3 18278 B18R2.36301 OCCCCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100011216708 [0,2,0,0,0,0|2,0,0]=4 18279 B18R2.36301 OCCCCOc1cnc2cc(ccc2c1)F 34a_100012184162_100011216708 [0,2,0,0,0,0|1,0,0]=3 18280 B18R2.36301 OCCCCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210776 [0,2,0,0,0,0|1,0,0]=3 18281 B18R2.36301 OCCCCSc1ccc2cc(ccc2c1)Br 62a_100000210776_100012344972 [0,2,0,0,0,0|0,1,0]=3 18282 B18R2.36301 OCCCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210776 [0,2,0,0,0,0|0,1,0]=3 18283 B18R2.36301 OCCCCSc1ccc2cc(ccc2c1)F 62a_100000210776_100009817052 [0,2,0,0,0,0|0,1,0]=3 18284 B18R2.36301 OCCCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210776 [0,2,0,0,0,0|0,1,0]=3 18285 B18R2.36301 OCCCCSc1ccc2cc(ccc2c1)O 62a_100000210776_100000185455 [0,2,0,0,0,0|0,1,0]=3 18286 B18R2.36301 OCCCCSc1ccc2cc(ccc2n1)F 62a_100000210776_100011998705 [0,2,0,0,0,0|1,1,0]=4 18287 B18R2.36301 OCCCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210776 [0,2,0,0,0,0|1,1,0]=4 18288 B18R2.36301 OCCCCSc1ccc2cc(ccc2n1)O 62a_100000210776_100009849208 [0,2,0,0,0,0|1,1,0]=4 18289 B18R2.36301 OCCCCSc1ccc2cc(cnc2c1)Br 62a_100000210776_200015509644 [0,2,0,0,0,0|1,1,0]=4 18290 B18R2.36301 OCCCCSc1ccc2cc(cnc2c1)Br 62a_200015509644_100000210776 [0,2,0,0,0,0|1,1,0]=4 18291 B18R2.36301 OCCCCSc1ccc2cc(cnc2c1)F 62a_100000210776_100010751466 [0,2,0,0,0,0|1,1,0]=4 18292 B18R2.36301 OCCCCSc1ccc2cc(cnc2c1)F 62a_100010751466_100000210776 [0,2,0,0,0,0|1,1,0]=4 18293 B18R2.36301 OCCCCSc1ccc2nc(ccc2c1)Cl 62a_100000210776_200012034268 [0,2,0,0,0,0|1,1,0]=4 18294 B18R2.36301 OCCCCSc1cnc2cc(ccc2c1)Cl 62a_100000210776_100015716233 [0,2,0,0,0,0|1,1,0]=4 18295 B18R2.36301 OCCCCSc1cnc2cc(ccc2c1)Cl 62a_100015716233_100000210776 [0,2,0,0,0,0|1,1,0]=4 18296 B18R2.36301 OCCCCSc1cnc2cc(ccc2c1)O 62a_100000210776_200010153753 [0,2,0,0,0,0|1,1,0]=4 18297 B18R2.36301 OCCCNCc1ccc2cc(ccc2c1)Br 207a_100000182051_100012356508 [0,2,0,0,0,0|2,0,0]=4 18298 B18R2.36301 OCCCNCc1ccc2cc(ccc2c1)Br 270004a_100000182051_100012356508 [0,2,0,0,0,0|2,0,0]=4 18299 B18R2.36301 OCCCNCc1ccc2cc(ccc2c1)O 207a_100000182051_100000067190 [0,2,0,0,0,0|2,0,0]=4 18300 B18R2.36301 OCCCNCc1ccc2cc(ccc2c1)O 270004a_100000182051_100000067190 [0,2,0,0,0,0|2,0,0]=4 18301 B18R2.36301 OCCCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000230001 [0,2,0,0,0,0|2,0,0]=4 18302 B18R2.36301 OCCCOCc1ccc2cc(ccc2c1)Br 34a_100012356509_100000230001 [0,2,0,0,0,0|1,0,0]=3 18303 B18R2.36301 OCCCOCc1ccc2cc(ccc2c1)Br 7a_100012356509_100011215043 [0,2,0,0,0,0|1,0,0]=3 18304 B18R2.36301 OCCCSCc1ccc2cc(ccc2c1)Br 62a_100011215043_100012356510 [0,2,0,0,0,0|1,1,0]=4 18305 B18R2.36301 OCCCSCc1ccc2cc(ccc2c1)Br 62a_100012356510_100011215043 [0,2,0,0,0,0|1,1,0]=4 18306 B18R2.36301 Oc1ccc2cc(ccc2c1)CNCCCF 207a_100015189416_100000067190 [0,2,0,0,0,0|2,0,0]=4 18307 B18R2.36301 Oc1ccc2cc(ccc2c1)CNCCCF 270004a_100015189416_100000067190 [0,2,0,0,0,0|2,0,0]=4 18308 B18R2.36301 Oc1ccc2cc(ccc2c1)CNCCCF 34a_200000083168_100011934791 [0,2,0,0,0,0|2,0,0]=4 18309 B18R2.36301 Oc1ccc2cc(ccc2c1)SCCCCF 62a_100000729493_100000185455 [0,2,0,0,0,0|0,1,0]=3 18310 B18R2.36301 Oc1ccc2cc(cnc2c1)SCCCCF 62a_100000729493_200010153753 [0,2,0,0,0,0|1,1,0]=4 18311 B18R2.36301 Oc1ccc2nc(ccc2c1)SCCCCF 62a_100000729493_100009849208 [0,2,0,0,0,0|1,1,0]=4 18312 B18R2.75286 C#CCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000695029 [0,2,0,0,0,0|1,0,1]=4 18313 B18R2.75286 C#CCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011215417 [0,2,0,0,0,0|1,0,1]=4 18314 B18R2.75286 C#CCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000695029 [0,2,0,0,0,0|0,0,1]=3 18315 B18R2.75286 C#CCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011215417 [0,2,0,0,0,0|0,0,1]=3 18316 B18R2.75286 C#CCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000695029 [0,2,0,0,0,0|1,0,1]=4 18317 B18R2.75286 C#CCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100011215417 [0,2,0,0,0,0|1,0,1]=4 18318 B18R2.75286 C#CCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000695029 [0,2,0,0,0,0|1,0,1]=4 18319 B18R2.75286 C#CCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100011215417 [0,2,0,0,0,0|1,0,1]=4 18320 B18R2.75286 C#CCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000695029 [0,2,0,0,0,0|1,0,1]=4 18321 B18R2.75286 C#CCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100011215417 [0,2,0,0,0,0|1,0,1]=4 18322 B18R2.75286 C#CCCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000695029 [0,2,0,0,0,0|1,0,1]=4 18323 B18R2.75286 C#CCCCSc1cc(c2ccccc2c1)N 62a_100010171453_100011215417 [0,2,0,0,0,0|0,1,1]=4 18324 B18R2.75286 C#CCCCSc1cc(c2ccccc2c1)N 62a_100011215417_100010171453 [0,2,0,0,0,0|0,1,1]=4 18325 B18R2.75286 C#CCCCSc1cc(c2ccccc2c1)O 62a_100011215417_100010089979 [0,2,0,0,0,0|0,1,1]=4 18326 B18R2.75286 C=CCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000757094 [0,2,0,0,0,0|1,0,1]=4 18327 B18R2.75286 C=CCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000757094 [0,2,0,0,0,0|1,0,1]=4 18328 B18R2.75286 C=CCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000757094 [0,2,0,0,0,0|0,0,1]=3 18329 B18R2.75286 C=CCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000757094 [0,2,0,0,0,0|0,0,1]=3 18330 B18R2.75286 C=CCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000757094 [0,2,0,0,0,0|1,0,1]=4 18331 B18R2.75286 C=CCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000757094 [0,2,0,0,0,0|1,0,1]=4 18332 B18R2.75286 C=CCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000757094 [0,2,0,0,0,0|1,0,1]=4 18333 B18R2.75286 C=CCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000757094 [0,2,0,0,0,0|1,0,1]=4 18334 B18R2.75286 C=CCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000757094 [0,2,0,0,0,0|1,0,1]=4 18335 B18R2.75286 C=CCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000757094 [0,2,0,0,0,0|1,0,1]=4 18336 B18R2.75286 C=CCCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000757094 [0,2,0,0,0,0|1,0,1]=4 18337 B18R2.75286 C=CCCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000757094 [0,2,0,0,0,0|0,1,1]=4 18338 B18R2.75286 C=CCCCSc1cc(c2ccccc2c1)N 62a_100011713584_100010171453 [0,2,0,0,0,0|0,1,1]=4 18339 B18R2.75286 C=CCCCSc1cc(c2ccccc2c1)O 62a_100011713584_100010089979 [0,2,0,0,0,0|0,1,1]=4 18340 B18R2.75286 C=COCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000039644 [0,2,0,0,0,0|0,0,2]=4 18341 B18R2.75286 C=COCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000039644 [0,2,0,0,0,0|0,0,2]=4 18342 B18R2.75286 CC/C=C\CNc1cc(c2ccccc2c1)Br 34a_100010089974_100103147603 [0,2,0,0,0,0|1,0,1]=4 18343 B18R2.75286 CC/C=C\CNc1cc(c2ccccc2c1)Br 7a_100010089974_100103147603 [0,2,0,0,0,0|1,0,1]=4 18344 B18R2.75286 CC/C=C\COc1cc(c2ccccc2c1)Br 34a_100010001680_100103147603 [0,2,0,0,0,0|0,0,1]=3 18345 B18R2.75286 CC/C=C\COc1cc(c2ccccc2c1)Br 7a_100010001680_100103147603 [0,2,0,0,0,0|0,0,1]=3 18346 B18R2.75286 CC/C=C\COc1cc(c2cnccc2c1)Br 34a_100011009069_100103147603 [0,2,0,0,0,0|1,0,1]=4 18347 B18R2.75286 CC/C=C\COc1cc(c2cnccc2c1)Br 7a_100011009069_100103147603 [0,2,0,0,0,0|1,0,1]=4 18348 B18R2.75286 CC/C=C\COc1cc(c2ncccc2c1)Cl 34a_100000097192_100103147603 [0,2,0,0,0,0|1,0,1]=4 18349 B18R2.75286 CC/C=C\COc1cc(c2ncccc2c1)Cl 7a_100000097192_100103147603 [0,2,0,0,0,0|1,0,1]=4 18350 B18R2.75286 CC/C=C\COc1cc(c2ncccc2c1)F 34a_100009888031_100103147603 [0,2,0,0,0,0|1,0,1]=4 18351 B18R2.75286 CC/C=C\COc1cc(c2ncccc2c1)F 7a_100009888031_100103147603 [0,2,0,0,0,0|1,0,1]=4 18352 B18R2.75286 CC/C=C\COc1cc(c2ncccc2c1)N 34a_100000083691_100103147603 [0,2,0,0,0,0|1,0,1]=4 18353 B18R2.75286 CC/C=C\CSc1cc(c2ccccc2c1)N 62a_100010171453_100103147603 [0,2,0,0,0,0|0,1,1]=4 18354 B18R2.75286 CC/C=C\CSc1cc(c2ccccc2c1)N 62a_100103147603_100010171453 [0,2,0,0,0,0|0,1,1]=4 18355 B18R2.75286 CC/C=C\CSc1cc(c2ccccc2c1)O 62a_100103147603_100010089979 [0,2,0,0,0,0|0,1,1]=4 18356 B18R2.75286 CCC#CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100009813939 [0,2,0,0,0,0|1,0,1]=4 18357 B18R2.75286 CCC#CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100009813939 [0,2,0,0,0,0|1,0,1]=4 18358 B18R2.75286 CCC#CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100009813939 [0,2,0,0,0,0|0,0,1]=3 18359 B18R2.75286 CCC#CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100009813939 [0,2,0,0,0,0|0,0,1]=3 18360 B18R2.75286 CCC#CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100009813939 [0,2,0,0,0,0|1,0,1]=4 18361 B18R2.75286 CCC#CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100009813939 [0,2,0,0,0,0|1,0,1]=4 18362 B18R2.75286 CCC#CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100009813939 [0,2,0,0,0,0|1,0,1]=4 18363 B18R2.75286 CCC#CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100009813939 [0,2,0,0,0,0|1,0,1]=4 18364 B18R2.75286 CCC#CCOc1cc(c2ncccc2c1)F 34a_100009888031_100009813939 [0,2,0,0,0,0|1,0,1]=4 18365 B18R2.75286 CCC#CCOc1cc(c2ncccc2c1)F 7a_100009888031_100009813939 [0,2,0,0,0,0|1,0,1]=4 18366 B18R2.75286 CCC#CCOc1cc(c2ncccc2c1)N 34a_100000083691_100009813939 [0,2,0,0,0,0|1,0,1]=4 18367 B18R2.75286 CCC#CCSc1cc(c2ccccc2c1)N 62a_100009813939_100010171453 [0,2,0,0,0,0|0,1,1]=4 18368 B18R2.75286 CCC#CCSc1cc(c2ccccc2c1)N 62a_100010171453_100009813939 [0,2,0,0,0,0|0,1,1]=4 18369 B18R2.75286 CCC#CCSc1cc(c2ccccc2c1)O 62a_100009813939_100010089979 [0,2,0,0,0,0|0,1,1]=4 18370 B18R2.75286 CCCCC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100016275911_100000090176 [0,2,0,0,0,0|2,0,0]=4 18371 B18R2.75286 CCCCC=Cc1cc(c2ccccc2c1)N 271570a_100016275911_100010171453 [0,2,0,0,0,0|1,0,0]=3 18372 B18R2.75286 CCCCC=Cc1cc(c2ccccc2c1)O 271570a_100016275911_100010089979 [0,2,0,0,0,0|1,0,0]=3 18373 B18R2.75286 CCCCC=Cc1cc(c2ccccc2n1)C 271570a_100016275911_100012354972 [0,2,0,0,0,0|2,0,0]=4 18374 B18R2.75286 CCCCC=Cc1cc(c2ccccc2n1)N 271570a_100016275911_100010197925 [0,2,0,0,0,0|2,0,0]=4 18375 B18R2.75286 CCCCC=Cc1cc(c2cccnc2c1)N 271570a_100016275911_200010263263 [0,2,0,0,0,0|2,0,0]=4 18376 B18R2.75286 CCCCC=Cc1cc(c2cnccc2c1)F 271570a_100016275911_100011068762 [0,2,0,0,0,0|2,0,0]=4 18377 B18R2.75286 CCCCC=Cc1cc(c2ncccc2c1)C 271570a_100016275911_100010130319 [0,2,0,0,0,0|2,0,0]=4 18378 B18R2.75286 CCCCC=Cc1cc(c2ncccc2c1)F 271570a_100016275911_100010234705 [0,2,0,0,0,0|2,0,0]=4 18379 B18R2.75286 CCCCC=Cc1cc(c2ncccc2c1)N 271570a_100016275911_100009814519 [0,2,0,0,0,0|2,0,0]=4 18380 B18R2.75286 CCCCC=Cc1cc(c2ncccc2c1)O 271570a_100016275911_100010248853 [0,2,0,0,0,0|2,0,0]=4 18381 B18R2.75286 CCCCC=Cc1cc2ccccc2[n+](c1)[O-] 271570a_100016275911_200010000521 [0,2,0,0,0,0|2,0,0]=4 18382 B18R2.75286 CCCCC=Cc1cc2ccccc2c(n1)N 271570a_100016275911_100009957331 [0,2,0,0,0,0|2,0,0]=4 18383 B18R2.75286 CCCCCNc1cc(c2ccccc2n1)C 27a_100000209983_100000184993 [0,2,0,0,0,0|2,0,0]=4 18384 B18R2.75286 CCCCCNc1cc(c2cnccc2c1)F 27a_100000209983_100011068762 [0,2,0,0,0,0|2,0,0]=4 18385 B18R2.75286 CCCCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000718602 [0,2,0,0,0,0|2,0,0]=4 18386 B18R2.75286 CCCCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000718602 [0,2,0,0,0,0|2,0,0]=4 18387 B18R2.75286 CCCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000718602 [0,2,0,0,0,0|1,0,0]=3 18388 B18R2.75286 CCCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210326 [0,2,0,0,0,0|1,0,0]=3 18389 B18R2.75286 CCCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000718602 [0,2,0,0,0,0|1,0,0]=3 18390 B18R2.75286 CCCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210326 [0,2,0,0,0,0|1,0,0]=3 18391 B18R2.75286 CCCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000718602 [0,2,0,0,0,0|1,0,0]=3 18392 B18R2.75286 CCCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210326 [0,2,0,0,0,0|1,0,0]=3 18393 B18R2.75286 CCCCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000718602 [0,2,0,0,0,0|1,0,0]=3 18394 B18R2.75286 CCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210326_100000090176 [0,2,0,0,0,0|1,1,0]=4 18395 B18R2.75286 CCCCCSc1cc(c2ccccc2c1)N 62a_100000210326_100010171453 [0,2,0,0,0,0|0,1,0]=3 18396 B18R2.75286 CCCCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210326 [0,2,0,0,0,0|0,1,0]=3 18397 B18R2.75286 CCCCCSc1cc(c2ccccc2c1)O 62a_100000210326_100010089979 [0,2,0,0,0,0|0,1,0]=3 18398 B18R2.75286 CCCCCSc1cc(c2ccccc2n1)C 62a_100000210326_100000184993 [0,2,0,0,0,0|1,1,0]=4 18399 B18R2.75286 CCCCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210326 [0,2,0,0,0,0|1,1,0]=4 18400 B18R2.75286 CCCCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210326 [0,2,0,0,0,0|1,1,0]=4 18401 B18R2.75286 CCCCCSc1cc(c2cccnc2c1)N 62a_100000210326_200010263263 [0,2,0,0,0,0|1,1,0]=4 18402 B18R2.75286 CCCCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000210326 [0,2,0,0,0,0|1,1,0]=4 18403 B18R2.75286 CCCCCSc1cc(c2cnccc2c1)F 62a_100000210326_100011068762 [0,2,0,0,0,0|1,1,0]=4 18404 B18R2.75286 CCCCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000210326 [0,2,0,0,0,0|1,1,0]=4 18405 B18R2.75286 CCCCCSc1cc(c2ncccc2c1)C 62a_100000210326_100010130319 [0,2,0,0,0,0|1,1,0]=4 18406 B18R2.75286 CCCCCSc1cc(c2ncccc2c1)F 62a_100000210326_100010234705 [0,2,0,0,0,0|1,1,0]=4 18407 B18R2.75286 CCCCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210326 [0,2,0,0,0,0|1,1,0]=4 18408 B18R2.75286 CCCCCSc1cc(c2ncccc2c1)N 62a_100000210326_100009814519 [0,2,0,0,0,0|1,1,0]=4 18409 B18R2.75286 CCCCCSc1cc(c2ncccc2c1)O 62a_100000210326_100010248853 [0,2,0,0,0,0|1,1,0]=4 18410 B18R2.75286 CCCCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210326_200015811170 [0,2,0,0,0,0|1,1,0]=4 18411 B18R2.75286 CCCCCSc1cc2ccccc2c(n1)N 62a_100000210326_100009957331 [0,2,0,0,0,0|1,1,0]=4 18412 B18R2.75286 CCCCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000210326 [0,2,0,0,0,0|1,1,0]=4 18413 B18R2.75286 CCCCOCc1cc(=O)n2ccccc2n1 34a_100000210227_100000017730 [0,2,0,0,0,0|2,0,0]=4 18414 B18R2.75286 CCCCOCc1cc(=O)n2ccccc2n1 7a_100000210227_100000017730 [0,2,0,0,0,0|2,0,0]=4 18415 B18R2.75286 CCCCOCc1nc(c2ccccc2n1)C 34a_100000210227_100000736427 [0,2,0,0,0,0|2,0,0]=4 18416 B18R2.75286 CCCCOCc1nc(c2ccccc2n1)C 7a_100000210227_100000736427 [0,2,0,0,0,0|2,0,0]=4 18417 B18R2.75286 CCCCOCc1nc(c2ccccc2n1)Cl 7a_100000210227_100010180038 [0,2,0,0,0,0|2,0,0]=4 18418 B18R2.75286 CCCCOCc1nc2ccccc2c(=O)[nH]1 7a_100000210227_100000182789 [0,2,0,0,0,0|2,0,0]=4 18419 B18R2.75286 CCOCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210147 [0,2,0,0,0,0|1,0,0]=3 18420 B18R2.75286 CCOCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011215890 [0,2,0,0,0,0|1,0,0]=3 18421 B18R2.75286 CCOCCNc1cc(c2ccccc2n1)C 27a_100011200944_100000184993 [0,2,0,0,0,0|2,0,0]=4 18422 B18R2.75286 CCOCCNc1cc(c2cnccc2c1)F 27a_100011200944_100011068762 [0,2,0,0,0,0|2,0,0]=4 18423 B18R2.75286 CCOCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210147 [0,2,0,0,0,0|2,0,0]=4 18424 B18R2.75286 CCOCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210147 [0,2,0,0,0,0|2,0,0]=4 18425 B18R2.75286 CCOCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210147 [0,2,0,0,0,0|0,0,0]=2 18426 B18R2.75286 CCOCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100011215890 [0,2,0,0,0,0|0,0,0]=2 18427 B18R2.75286 CCOCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210147 [0,2,0,0,0,0|1,0,0]=3 18428 B18R2.75286 CCOCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100011215890 [0,2,0,0,0,0|1,0,0]=3 18429 B18R2.75286 CCOCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210147 [0,2,0,0,0,0|1,0,0]=3 18430 B18R2.75286 CCOCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100011215890 [0,2,0,0,0,0|1,0,0]=3 18431 B18R2.75286 CCOCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210147 [0,2,0,0,0,0|1,0,0]=3 18432 B18R2.75286 CCOCCOc1cc(c2ncccc2c1)F 7a_100009888031_100011215890 [0,2,0,0,0,0|1,0,0]=3 18433 B18R2.75286 CCOCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210147 [0,2,0,0,0,0|1,0,0]=3 18434 B18R2.75286 CCOCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210147_100000090176 [0,2,0,0,0,0|1,1,0]=4 18435 B18R2.75286 CCOCCSc1cc(c2ccccc2c1)N 62a_100000210147_100010171453 [0,2,0,0,0,0|0,1,0]=3 18436 B18R2.75286 CCOCCSc1cc(c2ccccc2c1)N 62a_100010171453_100011215890 [0,2,0,0,0,0|0,1,0]=3 18437 B18R2.75286 CCOCCSc1cc(c2ccccc2c1)O 62a_100000210147_100010089979 [0,2,0,0,0,0|0,1,0]=3 18438 B18R2.75286 CCOCCSc1cc(c2ccccc2n1)C 62a_100000210147_100000184993 [0,2,0,0,0,0|1,1,0]=4 18439 B18R2.75286 CCOCCSc1cc(c2ccccc2n1)C 62a_100012354972_100011215890 [0,2,0,0,0,0|1,1,0]=4 18440 B18R2.75286 CCOCCSc1cc(c2ccccc2n1)N 62a_100010197925_100011215890 [0,2,0,0,0,0|1,1,0]=4 18441 B18R2.75286 CCOCCSc1cc(c2cccnc2c1)N 62a_100000210147_200010263263 [0,2,0,0,0,0|1,1,0]=4 18442 B18R2.75286 CCOCCSc1cc(c2cccnc2c1)N 62a_200010263263_100011215890 [0,2,0,0,0,0|1,1,0]=4 18443 B18R2.75286 CCOCCSc1cc(c2cnccc2c1)F 62a_100000210147_100011068762 [0,2,0,0,0,0|1,1,0]=4 18444 B18R2.75286 CCOCCSc1cc(c2cnccc2c1)F 62a_100011068762_100011215890 [0,2,0,0,0,0|1,1,0]=4 18445 B18R2.75286 CCOCCSc1cc(c2ncccc2c1)C 62a_100000210147_100010130319 [0,2,0,0,0,0|1,1,0]=4 18446 B18R2.75286 CCOCCSc1cc(c2ncccc2c1)Cl 62a_100000210147_200010369337 [0,2,0,0,0,0|1,1,0]=4 18447 B18R2.75286 CCOCCSc1cc(c2ncccc2c1)F 62a_100000210147_100010234705 [0,2,0,0,0,0|1,1,0]=4 18448 B18R2.75286 CCOCCSc1cc(c2ncccc2c1)F 62a_100010234705_100011215890 [0,2,0,0,0,0|1,1,0]=4 18449 B18R2.75286 CCOCCSc1cc(c2ncccc2c1)N 62a_100000210147_100009814519 [0,2,0,0,0,0|1,1,0]=4 18450 B18R2.75286 CCOCCSc1cc(c2ncccc2c1)O 62a_100000210147_100010248853 [0,2,0,0,0,0|1,1,0]=4 18451 B18R2.75286 CCOCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210147_200015811170 [0,2,0,0,0,0|1,1,0]=4 18452 B18R2.75286 CCOCCSc1cc2ccccc2c(n1)N 62a_100000210147_100009957331 [0,2,0,0,0,0|1,1,0]=4 18453 B18R2.75286 CCOCCSc1cc2ccccc2c(n1)N 62a_100009957331_100011215890 [0,2,0,0,0,0|1,1,0]=4 18454 B18R2.75286 CCSCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000757381 [0,2,0,0,0,0|1,0,0]=3 18455 B18R2.75286 CCSCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000757381 [0,2,0,0,0,0|1,0,0]=3 18456 B18R2.75286 CCSCCNc1cc(c2ccccc2n1)C 27a_100000106463_100000184993 [0,2,0,0,0,0|2,0,0]=4 18457 B18R2.75286 CCSCCNc1cc(c2cnccc2c1)F 27a_100000106463_100011068762 [0,2,0,0,0,0|2,0,0]=4 18458 B18R2.75286 CCSCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000757381 [0,2,0,0,0,0|2,0,0]=4 18459 B18R2.75286 CCSCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000757381 [0,2,0,0,0,0|2,0,0]=4 18460 B18R2.75286 CCSCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000757381 [0,2,0,0,0,0|0,0,0]=2 18461 B18R2.75286 CCSCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000757381 [0,2,0,0,0,0|0,0,0]=2 18462 B18R2.75286 CCSCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000757381 [0,2,0,0,0,0|1,0,0]=3 18463 B18R2.75286 CCSCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000757381 [0,2,0,0,0,0|1,0,0]=3 18464 B18R2.75286 CCSCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000757381 [0,2,0,0,0,0|1,0,0]=3 18465 B18R2.75286 CCSCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000757381 [0,2,0,0,0,0|1,0,0]=3 18466 B18R2.75286 CCSCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000757381 [0,2,0,0,0,0|1,0,0]=3 18467 B18R2.75286 CCSCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000757381 [0,2,0,0,0,0|1,0,0]=3 18468 B18R2.75286 CCSCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000757381 [0,2,0,0,0,0|1,0,0]=3 18469 B18R2.75286 CCSCCSc1cc(=O)c2ccccc2[nH]1 62a_100000757381_100000090176 [0,2,0,0,0,0|1,1,0]=4 18470 B18R2.75286 CCSCCSc1cc(c2ccccc2c1)N 62a_100000757381_100010171453 [0,2,0,0,0,0|0,1,0]=3 18471 B18R2.75286 CCSCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000757381 [0,2,0,0,0,0|0,1,0]=3 18472 B18R2.75286 CCSCCSc1cc(c2ccccc2c1)O 62a_100000757381_100010089979 [0,2,0,0,0,0|0,1,0]=3 18473 B18R2.75286 CCSCCSc1cc(c2ccccc2n1)C 62a_100000757381_100000184993 [0,2,0,0,0,0|1,1,0]=4 18474 B18R2.75286 CCSCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000757381 [0,2,0,0,0,0|1,1,0]=4 18475 B18R2.75286 CCSCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000757381 [0,2,0,0,0,0|1,1,0]=4 18476 B18R2.75286 CCSCCSc1cc(c2cccnc2c1)N 62a_100000757381_200010263263 [0,2,0,0,0,0|1,1,0]=4 18477 B18R2.75286 CCSCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000757381 [0,2,0,0,0,0|1,1,0]=4 18478 B18R2.75286 CCSCCSc1cc(c2cnccc2c1)F 62a_100000757381_100011068762 [0,2,0,0,0,0|1,1,0]=4 18479 B18R2.75286 CCSCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000757381 [0,2,0,0,0,0|1,1,0]=4 18480 B18R2.75286 CCSCCSc1cc(c2ncccc2c1)C 62a_100000757381_100010130319 [0,2,0,0,0,0|1,1,0]=4 18481 B18R2.75286 CCSCCSc1cc(c2ncccc2c1)Cl 62a_100000757381_200010369337 [0,2,0,0,0,0|1,1,0]=4 18482 B18R2.75286 CCSCCSc1cc(c2ncccc2c1)F 62a_100000757381_100010234705 [0,2,0,0,0,0|1,1,0]=4 18483 B18R2.75286 CCSCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000757381 [0,2,0,0,0,0|1,1,0]=4 18484 B18R2.75286 CCSCCSc1cc(c2ncccc2c1)N 62a_100000757381_100009814519 [0,2,0,0,0,0|1,1,0]=4 18485 B18R2.75286 CCSCCSc1cc(c2ncccc2c1)O 62a_100000757381_100010248853 [0,2,0,0,0,0|1,1,0]=4 18486 B18R2.75286 CCSCCSc1cc2ccccc2c(=O)[nH]1 62a_100000757381_200015811170 [0,2,0,0,0,0|1,1,0]=4 18487 B18R2.75286 CCSCCSc1cc2ccccc2c(n1)N 62a_100000757381_100009957331 [0,2,0,0,0,0|1,1,0]=4 18488 B18R2.75286 CCSCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000757381 [0,2,0,0,0,0|1,1,0]=4 18489 B18R2.75286 COCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000740836 [0,2,0,0,0,0|1,0,0]=3 18490 B18R2.75286 COCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000740836 [0,2,0,0,0,0|1,0,0]=3 18491 B18R2.75286 COCCCNc1cc(c2ccccc2n1)C 27a_100150723488_100000184993 [0,2,0,0,0,0|2,0,0]=4 18492 B18R2.75286 COCCCNc1cc(c2cnccc2c1)F 27a_100150723488_100011068762 [0,2,0,0,0,0|2,0,0]=4 18493 B18R2.75286 COCCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000740836 [0,2,0,0,0,0|2,0,0]=4 18494 B18R2.75286 COCCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000740836 [0,2,0,0,0,0|2,0,0]=4 18495 B18R2.75286 COCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000740836 [0,2,0,0,0,0|0,0,0]=2 18496 B18R2.75286 COCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000740836 [0,2,0,0,0,0|0,0,0]=2 18497 B18R2.75286 COCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000740836 [0,2,0,0,0,0|1,0,0]=3 18498 B18R2.75286 COCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000740836 [0,2,0,0,0,0|1,0,0]=3 18499 B18R2.75286 COCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000740836 [0,2,0,0,0,0|1,0,0]=3 18500 B18R2.75286 COCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000740836 [0,2,0,0,0,0|1,0,0]=3 18501 B18R2.75286 COCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000740836 [0,2,0,0,0,0|1,0,0]=3 18502 B18R2.75286 COCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000740836 [0,2,0,0,0,0|1,0,0]=3 18503 B18R2.75286 COCCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000740836 [0,2,0,0,0,0|1,0,0]=3 18504 B18R2.75286 COCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000709357_100000090176 [0,2,0,0,0,0|1,1,0]=4 18505 B18R2.75286 COCCCSc1cc(c2ccccc2c1)N 62a_100000709357_100010171453 [0,2,0,0,0,0|0,1,0]=3 18506 B18R2.75286 COCCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000709357 [0,2,0,0,0,0|0,1,0]=3 18507 B18R2.75286 COCCCSc1cc(c2ccccc2c1)O 62a_100000709357_100010089979 [0,2,0,0,0,0|0,1,0]=3 18508 B18R2.75286 COCCCSc1cc(c2ccccc2n1)C 62a_100000709357_100000184993 [0,2,0,0,0,0|1,1,0]=4 18509 B18R2.75286 COCCCSc1cc(c2ccccc2n1)C 62a_100012354972_100000709357 [0,2,0,0,0,0|1,1,0]=4 18510 B18R2.75286 COCCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000709357 [0,2,0,0,0,0|1,1,0]=4 18511 B18R2.75286 COCCCSc1cc(c2cccnc2c1)N 62a_100000709357_200010263263 [0,2,0,0,0,0|1,1,0]=4 18512 B18R2.75286 COCCCSc1cc(c2cccnc2c1)N 62a_200010263263_100000709357 [0,2,0,0,0,0|1,1,0]=4 18513 B18R2.75286 COCCCSc1cc(c2cnccc2c1)F 62a_100000709357_100011068762 [0,2,0,0,0,0|1,1,0]=4 18514 B18R2.75286 COCCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000709357 [0,2,0,0,0,0|1,1,0]=4 18515 B18R2.75286 COCCCSc1cc(c2ncccc2c1)C 62a_100000709357_100010130319 [0,2,0,0,0,0|1,1,0]=4 18516 B18R2.75286 COCCCSc1cc(c2ncccc2c1)Cl 62a_100000709357_200010369337 [0,2,0,0,0,0|1,1,0]=4 18517 B18R2.75286 COCCCSc1cc(c2ncccc2c1)F 62a_100000709357_100010234705 [0,2,0,0,0,0|1,1,0]=4 18518 B18R2.75286 COCCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000709357 [0,2,0,0,0,0|1,1,0]=4 18519 B18R2.75286 COCCCSc1cc(c2ncccc2c1)N 62a_100000709357_100009814519 [0,2,0,0,0,0|1,1,0]=4 18520 B18R2.75286 COCCCSc1cc(c2ncccc2c1)O 62a_100000709357_100010248853 [0,2,0,0,0,0|1,1,0]=4 18521 B18R2.75286 COCCCSc1cc2ccccc2c(=O)[nH]1 62a_100000709357_200015811170 [0,2,0,0,0,0|1,1,0]=4 18522 B18R2.75286 COCCCSc1cc2ccccc2c(n1)N 62a_100000709357_100009957331 [0,2,0,0,0,0|1,1,0]=4 18523 B18R2.75286 COCCCSc1cc2ccccc2c(n1)N 62a_100009957331_100000709357 [0,2,0,0,0,0|1,1,0]=4 18524 B18R2.75286 CSCCCNc1cc(c2ccccc2n1)C 27a_100000749238_100000184993 [0,2,0,0,0,0|2,0,0]=4 18525 B18R2.75286 CSCCCNc1cc(c2cnccc2c1)F 27a_100000749238_100011068762 [0,2,0,0,0,0|2,0,0]=4 18526 B18R2.75286 Cc1cc(cc2c1nccc2)SCCCCF 62a_100000729493_100010130319 [0,2,0,0,0,0|1,1,0]=4 18527 B18R2.75286 Cc1cc(cc2c1nccc2)SCCCCO 62a_100000210776_100010130319 [0,2,0,0,0,0|1,1,0]=4 18528 B18R2.75286 Cc1cc(nc2c1cccc2)NCCCCO 27a_100000750430_100000184993 [0,2,0,0,0,0|2,0,0]=4 18529 B18R2.75286 Cc1cc(nc2c1cccc2)SCCCCF 62a_100000729493_100000184993 [0,2,0,0,0,0|1,1,0]=4 18530 B18R2.75286 Cc1cc(nc2c1cccc2)SCCCCF 62a_100012354972_100000729493 [0,2,0,0,0,0|1,1,0]=4 18531 B18R2.75286 Cc1cc(nc2c1cccc2)SCCCCO 62a_100000210776_100000184993 [0,2,0,0,0,0|1,1,0]=4 18532 B18R2.75286 Cc1cc(nc2c1cccc2)SCCCCO 62a_100012354972_100000210776 [0,2,0,0,0,0|1,1,0]=4 18533 B18R2.75286 FCCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000729493 [0,2,0,0,0,0|1,0,0]=3 18534 B18R2.75286 FCCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000729493 [0,2,0,0,0,0|1,0,0]=3 18535 B18R2.75286 FCCCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000729493 [0,2,0,0,0,0|2,0,0]=4 18536 B18R2.75286 FCCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000729493 [0,2,0,0,0,0|0,0,0]=2 18537 B18R2.75286 FCCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000729493 [0,2,0,0,0,0|0,0,0]=2 18538 B18R2.75286 FCCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000729493 [0,2,0,0,0,0|1,0,0]=3 18539 B18R2.75286 FCCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000729493 [0,2,0,0,0,0|1,0,0]=3 18540 B18R2.75286 FCCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000729493 [0,2,0,0,0,0|1,0,0]=3 18541 B18R2.75286 FCCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000729493 [0,2,0,0,0,0|1,0,0]=3 18542 B18R2.75286 FCCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000729493 [0,2,0,0,0,0|1,0,0]=3 18543 B18R2.75286 FCCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000729493 [0,2,0,0,0,0|1,0,0]=3 18544 B18R2.75286 FCCCCSc1cc(c2cnccc2c1)F 62a_100000729493_100011068762 [0,2,0,0,0,0|1,1,0]=4 18545 B18R2.75286 FCCCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000729493 [0,2,0,0,0,0|1,1,0]=4 18546 B18R2.75286 FCCCCSc1cc(c2ncccc2c1)Cl 62a_100000729493_200010369337 [0,2,0,0,0,0|1,1,0]=4 18547 B18R2.75286 FCCCCSc1cc(c2ncccc2c1)F 62a_100000729493_100010234705 [0,2,0,0,0,0|1,1,0]=4 18548 B18R2.75286 FCCCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000729493 [0,2,0,0,0,0|1,1,0]=4 18549 B18R2.75286 N#CCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000687738 [0,2,0,0,0,0|1,0,1]=4 18550 B18R2.75286 N#CCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000687738 [0,2,0,0,0,0|0,0,1]=3 18551 B18R2.75286 N#CCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000687738 [0,2,0,0,0,0|1,0,1]=4 18552 B18R2.75286 N#CCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000687738 [0,2,0,0,0,0|1,0,1]=4 18553 B18R2.75286 N#CCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000687738 [0,2,0,0,0,0|1,0,1]=4 18554 B18R2.75286 N#CCCCSc1cc(c2ccccc2c1)N 62a_100000687738_100010171453 [0,2,0,0,0,0|0,1,1]=4 18555 B18R2.75286 N#CCCCSc1cc(c2ccccc2c1)N 62a_100010171453_100000687738 [0,2,0,0,0,0|0,1,1]=4 18556 B18R2.75286 N#CCCCSc1cc(c2ccccc2c1)O 62a_100000687738_100010089979 [0,2,0,0,0,0|0,1,1]=4 18557 B18R2.75286 Nc1cc(cc2c1cccc2)SCCCC=O 62a_100010171453_200011292268 [0,2,0,0,0,0|0,1,1]=4 18558 B18R2.75286 Nc1cc(cc2c1cccc2)SCCCC=O 62a_200011292268_100010171453 [0,2,0,0,0,0|0,1,1]=4 18559 B18R2.75286 Nc1cc(cc2c1cccc2)SCCCCF 62a_100000729493_100010171453 [0,2,0,0,0,0|0,1,0]=3 18560 B18R2.75286 Nc1cc(cc2c1cccc2)SCCCCF 62a_100010171453_100000729493 [0,2,0,0,0,0|0,1,0]=3 18561 B18R2.75286 Nc1cc(cc2c1cccc2)SCCCCO 62a_100000210776_100010171453 [0,2,0,0,0,0|0,1,0]=3 18562 B18R2.75286 Nc1cc(cc2c1cccc2)SCCCCO 62a_100010171453_100000210776 [0,2,0,0,0,0|0,1,0]=3 18563 B18R2.75286 Nc1cc(cc2c1cccn2)SCCCCF 62a_100000729493_200010263263 [0,2,0,0,0,0|1,1,0]=4 18564 B18R2.75286 Nc1cc(cc2c1cccn2)SCCCCF 62a_200010263263_100000729493 [0,2,0,0,0,0|1,1,0]=4 18565 B18R2.75286 Nc1cc(cc2c1cccn2)SCCCCO 62a_100000210776_200010263263 [0,2,0,0,0,0|1,1,0]=4 18566 B18R2.75286 Nc1cc(cc2c1cccn2)SCCCCO 62a_200010263263_100000210776 [0,2,0,0,0,0|1,1,0]=4 18567 B18R2.75286 Nc1cc(cc2c1nccc2)OCCCCF 34a_100000083691_100000729493 [0,2,0,0,0,0|1,0,0]=3 18568 B18R2.75286 Nc1cc(cc2c1nccc2)OCCCCO 34a_100000083691_100011216708 [0,2,0,0,0,0|1,0,0]=3 18569 B18R2.75286 Nc1cc(cc2c1nccc2)SCCCCF 62a_100000729493_100009814519 [0,2,0,0,0,0|1,1,0]=4 18570 B18R2.75286 Nc1cc(cc2c1nccc2)SCCCCO 62a_100000210776_100009814519 [0,2,0,0,0,0|1,1,0]=4 18571 B18R2.75286 Nc1cc(nc2c1cccc2)SCCCCF 62a_100010197925_100000729493 [0,2,0,0,0,0|1,1,0]=4 18572 B18R2.75286 Nc1cc(nc2c1cccc2)SCCCCO 62a_100010197925_100000210776 [0,2,0,0,0,0|1,1,0]=4 18573 B18R2.75286 Nc1nc(cc2c1cccc2)SCCCCF 62a_100000729493_100009957331 [0,2,0,0,0,0|1,1,0]=4 18574 B18R2.75286 Nc1nc(cc2c1cccc2)SCCCCF 62a_100009957331_100000729493 [0,2,0,0,0,0|1,1,0]=4 18575 B18R2.75286 Nc1nc(cc2c1cccc2)SCCCCO 62a_100000210776_100009957331 [0,2,0,0,0,0|1,1,0]=4 18576 B18R2.75286 Nc1nc(cc2c1cccc2)SCCCCO 62a_100009957331_100000210776 [0,2,0,0,0,0|1,1,0]=4 18577 B18R2.75286 O=CCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_200011292268 [0,2,0,0,0,0|1,0,1]=4 18578 B18R2.75286 O=CCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_200011292268 [0,2,0,0,0,0|0,0,1]=3 18579 B18R2.75286 O=CCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_200011292268 [0,2,0,0,0,0|1,0,1]=4 18580 B18R2.75286 O=CCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_200011292268 [0,2,0,0,0,0|1,0,1]=4 18581 B18R2.75286 O=CCCCOc1cc(c2ncccc2c1)F 7a_100009888031_200011292268 [0,2,0,0,0,0|1,0,1]=4 18582 B18R2.75286 O=CCCCSc1cc(c2ccccc2c1)O 62a_200011292268_100010089979 [0,2,0,0,0,0|0,1,1]=4 18583 B18R2.75286 O=c1[nH]c(cc2c1cccc2)SCCCCF 62a_100000729493_200015811170 [0,2,0,0,0,0|1,1,0]=4 18584 B18R2.75286 O=c1[nH]c(cc2c1cccc2)SCCCCO 62a_100000210776_200015811170 [0,2,0,0,0,0|1,1,0]=4 18585 B18R2.75286 O=c1cc([nH]c2c1cccc2)SCCCCF 62a_100000729493_100000090176 [0,2,0,0,0,0|1,1,0]=4 18586 B18R2.75286 O=c1cc([nH]c2c1cccc2)SCCCCO 62a_100000210776_100000090176 [0,2,0,0,0,0|1,1,0]=4 18587 B18R2.75286 O=c1cc(nc2n1cccc2)OCCCCF 34a_100000751361_100000729493 [0,2,0,0,0,0|2,0,0]=4 18588 B18R2.75286 O=c1cc(nc2n1cccc2)OCCCCO 34a_100000751361_100011216708 [0,2,0,0,0,0|2,0,0]=4 18589 B18R2.75286 OCC#CCOc1cc(c2ccccc2c1)Br 34a_100010001680_200000047223 [0,2,0,0,0,0|0,0,2]=4 18590 B18R2.75286 OCC#CCOc1cc(c2ccccc2c1)Br 7a_100010001680_200000047223 [0,2,0,0,0,0|0,0,2]=4 18591 B18R2.75286 OCCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011216708 [0,2,0,0,0,0|1,0,0]=3 18592 B18R2.75286 OCCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210776 [0,2,0,0,0,0|1,0,0]=3 18593 B18R2.75286 OCCCCNc1cc(c2cnccc2c1)F 27a_100000750430_100011068762 [0,2,0,0,0,0|2,0,0]=4 18594 B18R2.75286 OCCCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100011216708 [0,2,0,0,0,0|2,0,0]=4 18595 B18R2.75286 OCCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100011216708 [0,2,0,0,0,0|0,0,0]=2 18596 B18R2.75286 OCCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210776 [0,2,0,0,0,0|0,0,0]=2 18597 B18R2.75286 OCCCCOc1cc(c2cnccc2c1)Br 34a_100011009069_100011216708 [0,2,0,0,0,0|1,0,0]=3 18598 B18R2.75286 OCCCCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210776 [0,2,0,0,0,0|1,0,0]=3 18599 B18R2.75286 OCCCCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100011216708 [0,2,0,0,0,0|1,0,0]=3 18600 B18R2.75286 OCCCCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210776 [0,2,0,0,0,0|1,0,0]=3 18601 B18R2.75286 OCCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100011216708 [0,2,0,0,0,0|1,0,0]=3 18602 B18R2.75286 OCCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210776 [0,2,0,0,0,0|1,0,0]=3 18603 B18R2.75286 OCCCCSc1cc(c2ccccc2c1)O 62a_100000210776_100010089979 [0,2,0,0,0,0|0,1,0]=3 18604 B18R2.75286 OCCCCSc1cc(c2cnccc2c1)F 62a_100000210776_100011068762 [0,2,0,0,0,0|1,1,0]=4 18605 B18R2.75286 OCCCCSc1cc(c2cnccc2c1)F 62a_100011068762_100000210776 [0,2,0,0,0,0|1,1,0]=4 18606 B18R2.75286 OCCCCSc1cc(c2ncccc2c1)Cl 62a_100000210776_200010369337 [0,2,0,0,0,0|1,1,0]=4 18607 B18R2.75286 OCCCCSc1cc(c2ncccc2c1)F 62a_100000210776_100010234705 [0,2,0,0,0,0|1,1,0]=4 18608 B18R2.75286 OCCCCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210776 [0,2,0,0,0,0|1,1,0]=4 18609 B18R2.75286 OCCCCSc1cc(c2ncccc2c1)O 62a_100000210776_100010248853 [0,2,0,0,0,0|1,1,0]=4 18610 B18R2.75286 Oc1cc(cc2c1cccc2)SCCCCF 62a_100000729493_100010089979 [0,2,0,0,0,0|0,1,0]=3 18611 B18R2.75286 Oc1cc(cc2c1nccc2)SCCCCF 62a_100000729493_100010248853 [0,2,0,0,0,0|1,1,0]=4 18612 B18R2.75330 C#CCCCNc1cc2ccccc2cc1Br 34a_100009991566_100000695029 [0,2,0,0,0,0|1,0,1]=4 18613 B18R2.75330 C#CCCCNc1cc2ccccc2cc1Br 7a_100009991566_100011215417 [0,2,0,0,0,0|1,0,1]=4 18614 B18R2.75330 C#CCCCOc1cc2ccccc2cc1Br 34a_100009817189_100000695029 [0,2,0,0,0,0|0,0,1]=3 18615 B18R2.75330 C#CCCCOc1cc2ccccc2cc1Br 7a_100009817189_100011215417 [0,2,0,0,0,0|0,0,1]=3 18616 B18R2.75330 C#CCCCOc1cc2ccccc2cc1C 34a_100000091601_100000695029 [0,2,0,0,0,0|0,0,1]=3 18617 B18R2.75330 C#CCCCOc1cc2ccccc2cc1C 7a_100000091601_100011215417 [0,2,0,0,0,0|0,0,1]=3 18618 B18R2.75330 C#CCCCOc1cc2ccccc2cc1N 34a_106744474703_100000695029 [0,2,0,0,0,0|0,0,1]=3 18619 B18R2.75330 C#CCCCOc1cc2ccccc2cc1N 7a_106744474703_100011215417 [0,2,0,0,0,0|0,0,1]=3 18620 B18R2.75330 C#CCCCOc1cc2ccccc2nc1C 34a_200000079175_100000695029 [0,2,0,0,0,0|1,0,1]=4 18621 B18R2.75330 C#CCCCOc1cc2ccccc2nc1C 7a_200000079175_100011215417 [0,2,0,0,0,0|1,0,1]=4 18622 B18R2.75330 C#CCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000695029 [0,2,0,0,0,0|1,0,1]=4 18623 B18R2.75330 C#CCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100011215417 [0,2,0,0,0,0|1,0,1]=4 18624 B18R2.75330 C#CCCCOc1cc2ccccc2oc1=O 7a_100000061252_100011215417 [0,2,0,0,0,0|1,0,1]=4 18625 B18R2.75330 C#CCCCOc1cc2cccnc2cc1Br 34a_200010153759_100000695029 [0,2,0,0,0,0|1,0,1]=4 18626 B18R2.75330 C#CCCCOc1cc2cccnc2cc1Br 7a_200010153759_100011215417 [0,2,0,0,0,0|1,0,1]=4 18627 B18R2.75330 C#CCCCSc1cc2ccccc2cc1N 62a_100009991566_100011215417 [0,2,0,0,0,0|0,1,1]=4 18628 B18R2.75330 C#CCCCSc1cc2ccccc2cc1N 62a_100011215417_100009991566 [0,2,0,0,0,0|0,1,1]=4 18629 B18R2.75330 C#CCCCSc1cc2ccccc2cc1O 62a_100011215417_100009817189 [0,2,0,0,0,0|0,1,1]=4 18630 B18R2.75330 C=CCCCNc1cc2ccccc2cc1Br 34a_100009991566_100000757094 [0,2,0,0,0,0|1,0,1]=4 18631 B18R2.75330 C=CCCCNc1cc2ccccc2cc1Br 7a_100009991566_100000757094 [0,2,0,0,0,0|1,0,1]=4 18632 B18R2.75330 C=CCCCOc1cc2ccccc2cc1Br 34a_100009817189_100000757094 [0,2,0,0,0,0|0,0,1]=3 18633 B18R2.75330 C=CCCCOc1cc2ccccc2cc1Br 7a_100009817189_100000757094 [0,2,0,0,0,0|0,0,1]=3 18634 B18R2.75330 C=CCCCOc1cc2ccccc2cc1C 34a_100000091601_100000757094 [0,2,0,0,0,0|0,0,1]=3 18635 B18R2.75330 C=CCCCOc1cc2ccccc2cc1C 7a_100000091601_100000757094 [0,2,0,0,0,0|0,0,1]=3 18636 B18R2.75330 C=CCCCOc1cc2ccccc2cc1N 34a_106744474703_100000757094 [0,2,0,0,0,0|0,0,1]=3 18637 B18R2.75330 C=CCCCOc1cc2ccccc2cc1N 7a_106744474703_100000757094 [0,2,0,0,0,0|0,0,1]=3 18638 B18R2.75330 C=CCCCOc1cc2ccccc2nc1C 34a_200000079175_100000757094 [0,2,0,0,0,0|1,0,1]=4 18639 B18R2.75330 C=CCCCOc1cc2ccccc2nc1C 7a_200000079175_100000757094 [0,2,0,0,0,0|1,0,1]=4 18640 B18R2.75330 C=CCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000757094 [0,2,0,0,0,0|1,0,1]=4 18641 B18R2.75330 C=CCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000757094 [0,2,0,0,0,0|1,0,1]=4 18642 B18R2.75330 C=CCCCOc1cc2ccccc2oc1=O 7a_100000061252_100000757094 [0,2,0,0,0,0|1,0,1]=4 18643 B18R2.75330 C=CCCCOc1cc2cccnc2cc1Br 34a_200010153759_100000757094 [0,2,0,0,0,0|1,0,1]=4 18644 B18R2.75330 C=CCCCOc1cc2cccnc2cc1Br 7a_200010153759_100000757094 [0,2,0,0,0,0|1,0,1]=4 18645 B18R2.75330 C=CCCCSc1cc2ccccc2cc1N 62a_100009991566_100000757094 [0,2,0,0,0,0|0,1,1]=4 18646 B18R2.75330 C=CCCCSc1cc2ccccc2cc1N 62a_100011713584_100009991566 [0,2,0,0,0,0|0,1,1]=4 18647 B18R2.75330 C=CCCCSc1cc2ccccc2cc1O 62a_100011713584_100009817189 [0,2,0,0,0,0|0,1,1]=4 18648 B18R2.75330 C=COCCOc1cc2ccccc2cc1Br 34a_100009817189_100000039644 [0,2,0,0,0,0|0,0,2]=4 18649 B18R2.75330 C=COCCOc1cc2ccccc2cc1Br 7a_100009817189_100000039644 [0,2,0,0,0,0|0,0,2]=4 18650 B18R2.75330 C=COCCOc1cc2ccccc2cc1C 34a_100000091601_100000039644 [0,2,0,0,0,0|0,0,2]=4 18651 B18R2.75330 C=COCCOc1cc2ccccc2cc1C 7a_100000091601_100000039644 [0,2,0,0,0,0|0,0,2]=4 18652 B18R2.75330 C=COCCOc1cc2ccccc2cc1N 34a_106744474703_100000039644 [0,2,0,0,0,0|0,0,2]=4 18653 B18R2.75330 C=COCCOc1cc2ccccc2cc1N 7a_106744474703_100000039644 [0,2,0,0,0,0|0,0,2]=4 18654 B18R2.75330 CC/C=C\CNc1cc2ccccc2cc1Br 34a_100009991566_100103147603 [0,2,0,0,0,0|1,0,1]=4 18655 B18R2.75330 CC/C=C\CNc1cc2ccccc2cc1Br 7a_100009991566_100103147603 [0,2,0,0,0,0|1,0,1]=4 18656 B18R2.75330 CC/C=C\COc1cc2ccccc2cc1Br 34a_100009817189_100103147603 [0,2,0,0,0,0|0,0,1]=3 18657 B18R2.75330 CC/C=C\COc1cc2ccccc2cc1Br 7a_100009817189_100103147603 [0,2,0,0,0,0|0,0,1]=3 18658 B18R2.75330 CC/C=C\COc1cc2ccccc2cc1C 34a_100000091601_100103147603 [0,2,0,0,0,0|0,0,1]=3 18659 B18R2.75330 CC/C=C\COc1cc2ccccc2cc1C 7a_100000091601_100103147603 [0,2,0,0,0,0|0,0,1]=3 18660 B18R2.75330 CC/C=C\COc1cc2ccccc2cc1N 34a_106744474703_100103147603 [0,2,0,0,0,0|0,0,1]=3 18661 B18R2.75330 CC/C=C\COc1cc2ccccc2cc1N 7a_106744474703_100103147603 [0,2,0,0,0,0|0,0,1]=3 18662 B18R2.75330 CC/C=C\COc1cc2ccccc2nc1C 34a_200000079175_100103147603 [0,2,0,0,0,0|1,0,1]=4 18663 B18R2.75330 CC/C=C\COc1cc2ccccc2nc1C 7a_200000079175_100103147603 [0,2,0,0,0,0|1,0,1]=4 18664 B18R2.75330 CC/C=C\COc1cc2ccccc2nc1Cl 34a_200000100762_100103147603 [0,2,0,0,0,0|1,0,1]=4 18665 B18R2.75330 CC/C=C\COc1cc2ccccc2nc1Cl 7a_200000100762_100103147603 [0,2,0,0,0,0|1,0,1]=4 18666 B18R2.75330 CC/C=C\COc1cc2ccccc2oc1=O 7a_100000061252_100103147603 [0,2,0,0,0,0|1,0,1]=4 18667 B18R2.75330 CC/C=C\COc1cc2cccnc2cc1Br 34a_200010153759_100103147603 [0,2,0,0,0,0|1,0,1]=4 18668 B18R2.75330 CC/C=C\COc1cc2cccnc2cc1Br 7a_200010153759_100103147603 [0,2,0,0,0,0|1,0,1]=4 18669 B18R2.75330 CC/C=C\CSc1cc2ccccc2cc1N 62a_100009991566_100103147603 [0,2,0,0,0,0|0,1,1]=4 18670 B18R2.75330 CC/C=C\CSc1cc2ccccc2cc1N 62a_100103147603_100009991566 [0,2,0,0,0,0|0,1,1]=4 18671 B18R2.75330 CC/C=C\CSc1cc2ccccc2cc1O 62a_100103147603_100009817189 [0,2,0,0,0,0|0,1,1]=4 18672 B18R2.75330 CCC#CCNc1cc2ccccc2cc1Br 34a_100009991566_100009813939 [0,2,0,0,0,0|1,0,1]=4 18673 B18R2.75330 CCC#CCNc1cc2ccccc2cc1Br 7a_100009991566_100009813939 [0,2,0,0,0,0|1,0,1]=4 18674 B18R2.75330 CCC#CCOc1cc2ccccc2cc1Br 34a_100009817189_100009813939 [0,2,0,0,0,0|0,0,1]=3 18675 B18R2.75330 CCC#CCOc1cc2ccccc2cc1Br 7a_100009817189_100009813939 [0,2,0,0,0,0|0,0,1]=3 18676 B18R2.75330 CCC#CCOc1cc2ccccc2cc1C 34a_100000091601_100009813939 [0,2,0,0,0,0|0,0,1]=3 18677 B18R2.75330 CCC#CCOc1cc2ccccc2cc1C 7a_100000091601_100009813939 [0,2,0,0,0,0|0,0,1]=3 18678 B18R2.75330 CCC#CCOc1cc2ccccc2cc1N 34a_106744474703_100009813939 [0,2,0,0,0,0|0,0,1]=3 18679 B18R2.75330 CCC#CCOc1cc2ccccc2cc1N 7a_106744474703_100009813939 [0,2,0,0,0,0|0,0,1]=3 18680 B18R2.75330 CCC#CCOc1cc2ccccc2nc1C 34a_200000079175_100009813939 [0,2,0,0,0,0|1,0,1]=4 18681 B18R2.75330 CCC#CCOc1cc2ccccc2nc1C 7a_200000079175_100009813939 [0,2,0,0,0,0|1,0,1]=4 18682 B18R2.75330 CCC#CCOc1cc2ccccc2nc1Cl 34a_200000100762_100009813939 [0,2,0,0,0,0|1,0,1]=4 18683 B18R2.75330 CCC#CCOc1cc2ccccc2nc1Cl 7a_200000100762_100009813939 [0,2,0,0,0,0|1,0,1]=4 18684 B18R2.75330 CCC#CCOc1cc2ccccc2oc1=O 7a_100000061252_100009813939 [0,2,0,0,0,0|1,0,1]=4 18685 B18R2.75330 CCC#CCOc1cc2cccnc2cc1Br 34a_200010153759_100009813939 [0,2,0,0,0,0|1,0,1]=4 18686 B18R2.75330 CCC#CCOc1cc2cccnc2cc1Br 7a_200010153759_100009813939 [0,2,0,0,0,0|1,0,1]=4 18687 B18R2.75330 CCC#CCSc1cc2ccccc2cc1N 62a_100009813939_100009991566 [0,2,0,0,0,0|0,1,1]=4 18688 B18R2.75330 CCC#CCSc1cc2ccccc2cc1N 62a_100009991566_100009813939 [0,2,0,0,0,0|0,1,1]=4 18689 B18R2.75330 CCC#CCSc1cc2ccccc2cc1O 62a_100009813939_100009817189 [0,2,0,0,0,0|0,1,1]=4 18690 B18R2.75330 CCCCC=Cc1cc2ccccc2cc1N 271570a_100016275911_100009991566 [0,2,0,0,0,0|1,0,0]=3 18691 B18R2.75330 CCCCC=Cc1cc2ccccc2cc1O 271570a_100016275911_100009817189 [0,2,0,0,0,0|1,0,0]=3 18692 B18R2.75330 CCCCC=Cc1cc2ccccc2nc1F 271570a_100016275911_100011158909 [0,2,0,0,0,0|2,0,0]=4 18693 B18R2.75330 CCCCC=Cc1cc2ccccc2nc1N 271570a_100016275911_100010135404 [0,2,0,0,0,0|2,0,0]=4 18694 B18R2.75330 CCCCC=Cc1cc2ccccc2nc1O 271570a_100016275911_200009820883 [0,2,0,0,0,0|2,0,0]=4 18695 B18R2.75330 CCCCC=Cc1cc2ccccc2oc1=O 271570a_100016275911_200000187772 [0,2,0,0,0,0|2,0,0]=4 18696 B18R2.75330 CCCCC=Cc1cc2cccnc2cc1C 271570a_100016275911_100010137429 [0,2,0,0,0,0|2,0,0]=4 18697 B18R2.75330 CCCCC=Cc1cc2cccnc2cc1F 271570a_100016275911_100009854028 [0,2,0,0,0,0|2,0,0]=4 18698 B18R2.75330 CCCCC=Cc1cc2ccncc2cc1F 271570a_100016275911_100011105921 [0,2,0,0,0,0|2,0,0]=4 18699 B18R2.75330 CCCCC=Cc1cc2cnccc2cc1F 271570a_100016275911_100010244713 [0,2,0,0,0,0|2,0,0]=4 18700 B18R2.75330 CCCCC=Cc1cc2ncccc2cc1O 271570a_100016275911_200010153759 [0,2,0,0,0,0|2,0,0]=4 18701 B18R2.75330 CCCCC=Cc1nc2ccccc2cc1C 271570a_100016275911_100000751756 [0,2,0,0,0,0|2,0,0]=4 18702 B18R2.75330 CCCCC=Cc1nc2ccccc2cc1O 271570a_100016275911_200000100762 [0,2,0,0,0,0|2,0,0]=4 18703 B18R2.75330 CCCCCNc1nc2ccccc2cc1C 27a_100000209983_100000751756 [0,2,0,0,0,0|2,0,0]=4 18704 B18R2.75330 CCCCCOc1cc2ccccc2cc1C 34a_100000091601_100000718602 [0,2,0,0,0,0|0,0,0]=2 18705 B18R2.75330 CCCCCOc1cc2ccccc2cc1C 7a_100000091601_100000210326 [0,2,0,0,0,0|0,0,0]=2 18706 B18R2.75330 CCCCCOc1cc2ccccc2cc1N 34a_106744474703_100000718602 [0,2,0,0,0,0|0,0,0]=2 18707 B18R2.75330 CCCCCOc1cc2ccccc2cc1N 7a_106744474703_100000210326 [0,2,0,0,0,0|0,0,0]=2 18708 B18R2.75330 CCCCCOc1cc2ccccc2nc1C 34a_200000079175_100000718602 [0,2,0,0,0,0|1,0,0]=3 18709 B18R2.75330 CCCCCOc1cc2ccccc2nc1C 7a_200000079175_100000210326 [0,2,0,0,0,0|1,0,0]=3 18710 B18R2.75330 CCCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000718602 [0,2,0,0,0,0|1,0,0]=3 18711 B18R2.75330 CCCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210326 [0,2,0,0,0,0|1,0,0]=3 18712 B18R2.75330 CCCCCOc1cc2ccccc2oc1=O 7a_100000061252_100000210326 [0,2,0,0,0,0|1,0,0]=3 18713 B18R2.75330 CCCCCOc1cc2cccnc2cc1Br 34a_200010153759_100000718602 [0,2,0,0,0,0|1,0,0]=3 18714 B18R2.75330 CCCCCOc1cc2cccnc2cc1Br 7a_200010153759_100000210326 [0,2,0,0,0,0|1,0,0]=3 18715 B18R2.75330 CCCCCSc1cc2ccccc2cc1N 62a_100000210326_100009991566 [0,2,0,0,0,0|0,1,0]=3 18716 B18R2.75330 CCCCCSc1cc2ccccc2cc1N 62a_100009991566_100000210326 [0,2,0,0,0,0|0,1,0]=3 18717 B18R2.75330 CCCCCSc1cc2ccccc2cc1O 62a_100000210326_100009817189 [0,2,0,0,0,0|0,1,0]=3 18718 B18R2.75330 CCCCCSc1cc2ccccc2nc1F 62a_100000210326_100011158909 [0,2,0,0,0,0|1,1,0]=4 18719 B18R2.75330 CCCCCSc1cc2ccccc2nc1F 62a_100011158909_100000210326 [0,2,0,0,0,0|1,1,0]=4 18720 B18R2.75330 CCCCCSc1cc2ccccc2nc1N 62a_100010135404_100000210326 [0,2,0,0,0,0|1,1,0]=4 18721 B18R2.75330 CCCCCSc1cc2ccccc2nc1O 62a_100000210326_200009820883 [0,2,0,0,0,0|1,1,0]=4 18722 B18R2.75330 CCCCCSc1cc2ccccc2oc1=O 62a_100000210326_200000187772 [0,2,0,0,0,0|1,1,0]=4 18723 B18R2.75330 CCCCCSc1cc2cccnc2cc1C 62a_100000210326_100010137429 [0,2,0,0,0,0|1,1,0]=4 18724 B18R2.75330 CCCCCSc1cc2cccnc2cc1C 62a_100010137429_100000210326 [0,2,0,0,0,0|1,1,0]=4 18725 B18R2.75330 CCCCCSc1cc2cccnc2cc1F 62a_100000210326_100009854028 [0,2,0,0,0,0|1,1,0]=4 18726 B18R2.75330 CCCCCSc1cc2cccnc2cc1F 62a_100009854028_100000210326 [0,2,0,0,0,0|1,1,0]=4 18727 B18R2.75330 CCCCCSc1cc2ccncc2cc1F 62a_100000210326_100011105921 [0,2,0,0,0,0|1,1,0]=4 18728 B18R2.75330 CCCCCSc1cc2ccncc2cc1F 62a_100011105921_100000210326 [0,2,0,0,0,0|1,1,0]=4 18729 B18R2.75330 CCCCCSc1cc2cnccc2cc1F 62a_100000210326_100010244713 [0,2,0,0,0,0|1,1,0]=4 18730 B18R2.75330 CCCCCSc1cc2cnccc2cc1F 62a_100010244713_100000210326 [0,2,0,0,0,0|1,1,0]=4 18731 B18R2.75330 CCCCCSc1cc2ncccc2cc1O 62a_100000210326_200010153759 [0,2,0,0,0,0|1,1,0]=4 18732 B18R2.75330 CCCCCSc1nc2ccccc2cc1C 62a_100000210326_100000751756 [0,2,0,0,0,0|1,1,0]=4 18733 B18R2.75330 CCCCCSc1nc2ccccc2cc1O 62a_100000210326_200000100762 [0,2,0,0,0,0|1,1,0]=4 18734 B18R2.75330 CCCCNCc1cc2ccccc2nc1Cl 2230a_100000102301_100000189640 [0,2,0,0,0,0|2,0,0]=4 18735 B18R2.75330 CCCCNCc1cc2ccccc2nc1Cl 7a_106832991798_100000189640 [0,2,0,0,0,0|2,0,0]=4 18736 B18R2.75330 CCCCNCc1cc2ccccc2nc1O 207a_100000102301_100000184424 [0,2,0,0,0,0|2,0,0]=4 18737 B18R2.75330 CCCCNCc1cc2ccccc2nc1O 270004a_100000102301_100000184424 [0,2,0,0,0,0|2,0,0]=4 18738 B18R2.75330 CCCCOCc1cc2ccccc2nc1Cl 34a_100000210227_100000189640 [0,2,0,0,0,0|1,0,0]=3 18739 B18R2.75330 CCCCOCc1cc2ccccc2nc1Cl 34a_100000754719_100000210210 [0,2,0,0,0,0|1,0,0]=3 18740 B18R2.75330 CCCCOCc1cc2ccccc2nc1Cl 7a_100000210227_100000189640 [0,2,0,0,0,0|1,0,0]=3 18741 B18R2.75330 CCCCOCc1cc2ccccc2nc1Cl 7a_100000754719_100000210211 [0,2,0,0,0,0|1,0,0]=3 18742 B18R2.75330 CCCCOCc1nc2ccccc2[nH]c1=O 7a_100000210227_100000736137 [0,2,0,0,0,0|2,0,0]=4 18743 B18R2.75330 CCCCSCc1cc2ccccc2nc1Cl 62a_100000210211_100000189640 [0,2,0,0,0,0|1,1,0]=4 18744 B18R2.75330 CCCNN=Cc1cc2ccccc2cc1O 4a_100000740057_200000074671 [0,2,0,0,0,0|2,0,0]=4 18745 B18R2.75330 CCCOCCc1cc2ccccc2nc1Cl 34a_100000210258_100000066995 [0,2,0,0,0,0|2,0,0]=4 18746 B18R2.75330 CCCSCCc1cc2ccccc2nc1Cl 62a_100000210303_100000066995 [0,2,0,0,0,0|2,0,0]=4 18747 B18R2.75330 CCOCCNc1cc2ccccc2cc1Br 34a_100009991566_100000210147 [0,2,0,0,0,0|1,0,0]=3 18748 B18R2.75330 CCOCCNc1cc2ccccc2cc1Br 7a_100009991566_100011215890 [0,2,0,0,0,0|1,0,0]=3 18749 B18R2.75330 CCOCCNc1nc2ccccc2cc1C 27a_100011200944_100000751756 [0,2,0,0,0,0|2,0,0]=4 18750 B18R2.75330 CCOCCOc1cc2ccccc2cc1Br 34a_100009817189_100000210147 [0,2,0,0,0,0|0,0,0]=2 18751 B18R2.75330 CCOCCOc1cc2ccccc2cc1Br 7a_100009817189_100011215890 [0,2,0,0,0,0|0,0,0]=2 18752 B18R2.75330 CCOCCOc1cc2ccccc2cc1C 34a_100000091601_100000210147 [0,2,0,0,0,0|0,0,0]=2 18753 B18R2.75330 CCOCCOc1cc2ccccc2cc1C 7a_100000091601_100011215890 [0,2,0,0,0,0|0,0,0]=2 18754 B18R2.75330 CCOCCOc1cc2ccccc2cc1N 34a_106744474703_100000210147 [0,2,0,0,0,0|0,0,0]=2 18755 B18R2.75330 CCOCCOc1cc2ccccc2cc1N 7a_106744474703_100011215890 [0,2,0,0,0,0|0,0,0]=2 18756 B18R2.75330 CCOCCOc1cc2ccccc2nc1C 34a_200000079175_100000210147 [0,2,0,0,0,0|1,0,0]=3 18757 B18R2.75330 CCOCCOc1cc2ccccc2nc1C 7a_200000079175_100011215890 [0,2,0,0,0,0|1,0,0]=3 18758 B18R2.75330 CCOCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210147 [0,2,0,0,0,0|1,0,0]=3 18759 B18R2.75330 CCOCCOc1cc2ccccc2nc1Cl 7a_200000100762_100011215890 [0,2,0,0,0,0|1,0,0]=3 18760 B18R2.75330 CCOCCOc1cc2ccccc2oc1=O 7a_100000061252_100011215890 [0,2,0,0,0,0|1,0,0]=3 18761 B18R2.75330 CCOCCOc1cc2cccnc2cc1Br 34a_200010153759_100000210147 [0,2,0,0,0,0|1,0,0]=3 18762 B18R2.75330 CCOCCOc1cc2cccnc2cc1Br 7a_200010153759_100011215890 [0,2,0,0,0,0|1,0,0]=3 18763 B18R2.75330 CCOCCSc1cc2ccccc2cc1Br 62a_100000210147_200010169544 [0,2,0,0,0,0|0,1,0]=3 18764 B18R2.75330 CCOCCSc1cc2ccccc2cc1Br 62a_200010169544_100011215890 [0,2,0,0,0,0|0,1,0]=3 18765 B18R2.75330 CCOCCSc1cc2ccccc2cc1Cl 62a_100000210147_100010152806 [0,2,0,0,0,0|0,1,0]=3 18766 B18R2.75330 CCOCCSc1cc2ccccc2cc1Cl 62a_100010152806_100011215890 [0,2,0,0,0,0|0,1,0]=3 18767 B18R2.75330 CCOCCSc1cc2ccccc2cc1N 62a_100000210147_100009991566 [0,2,0,0,0,0|0,1,0]=3 18768 B18R2.75330 CCOCCSc1cc2ccccc2cc1N 62a_100009991566_100011215890 [0,2,0,0,0,0|0,1,0]=3 18769 B18R2.75330 CCOCCSc1cc2ccccc2cc1O 62a_100000210147_100009817189 [0,2,0,0,0,0|0,1,0]=3 18770 B18R2.75330 CCOCCSc1cc2ccccc2nc1Cl 62a_100000210147_100010220712 [0,2,0,0,0,0|1,1,0]=4 18771 B18R2.75330 CCOCCSc1cc2ccccc2nc1F 62a_100000210147_100011158909 [0,2,0,0,0,0|1,1,0]=4 18772 B18R2.75330 CCOCCSc1cc2ccccc2nc1F 62a_100011158909_100011215890 [0,2,0,0,0,0|1,1,0]=4 18773 B18R2.75330 CCOCCSc1cc2ccccc2nc1N 62a_100010135404_100011215890 [0,2,0,0,0,0|1,1,0]=4 18774 B18R2.75330 CCOCCSc1cc2ccccc2nc1O 62a_100000210147_200009820883 [0,2,0,0,0,0|1,1,0]=4 18775 B18R2.75330 CCOCCSc1cc2ccccc2oc1=O 62a_100000210147_200000187772 [0,2,0,0,0,0|1,1,0]=4 18776 B18R2.75330 CCOCCSc1cc2cccnc2cc1C 62a_100000210147_100010137429 [0,2,0,0,0,0|1,1,0]=4 18777 B18R2.75330 CCOCCSc1cc2cccnc2cc1C 62a_100010137429_100011215890 [0,2,0,0,0,0|1,1,0]=4 18778 B18R2.75330 CCOCCSc1cc2cccnc2cc1F 62a_100000210147_100009854028 [0,2,0,0,0,0|1,1,0]=4 18779 B18R2.75330 CCOCCSc1cc2cccnc2cc1F 62a_100009854028_100011215890 [0,2,0,0,0,0|1,1,0]=4 18780 B18R2.75330 CCOCCSc1cc2ccncc2cc1F 62a_100000210147_100011105921 [0,2,0,0,0,0|1,1,0]=4 18781 B18R2.75330 CCOCCSc1cc2ccncc2cc1F 62a_100011105921_100011215890 [0,2,0,0,0,0|1,1,0]=4 18782 B18R2.75330 CCOCCSc1cc2cnccc2cc1F 62a_100000210147_100010244713 [0,2,0,0,0,0|1,1,0]=4 18783 B18R2.75330 CCOCCSc1cc2cnccc2cc1F 62a_100010244713_100011215890 [0,2,0,0,0,0|1,1,0]=4 18784 B18R2.75330 CCOCCSc1cc2ncccc2cc1O 62a_100000210147_200010153759 [0,2,0,0,0,0|1,1,0]=4 18785 B18R2.75330 CCOCCSc1nc2ccccc2cc1Br 62a_100000210147_100010072790 [0,2,0,0,0,0|1,1,0]=4 18786 B18R2.75330 CCOCCSc1nc2ccccc2cc1Br 62a_100010072790_100011215890 [0,2,0,0,0,0|1,1,0]=4 18787 B18R2.75330 CCOCCSc1nc2ccccc2cc1C 62a_100000210147_100000751756 [0,2,0,0,0,0|1,1,0]=4 18788 B18R2.75330 CCOCCSc1nc2ccccc2cc1O 62a_100000210147_200000100762 [0,2,0,0,0,0|1,1,0]=4 18789 B18R2.75330 CCSCCNc1cc2ccccc2cc1Br 34a_100009991566_100000757381 [0,2,0,0,0,0|1,0,0]=3 18790 B18R2.75330 CCSCCNc1cc2ccccc2cc1Br 7a_100009991566_100000757381 [0,2,0,0,0,0|1,0,0]=3 18791 B18R2.75330 CCSCCNc1nc2ccccc2cc1C 27a_100000106463_100000751756 [0,2,0,0,0,0|2,0,0]=4 18792 B18R2.75330 CCSCCOc1cc2ccccc2cc1Br 34a_100009817189_100000757381 [0,2,0,0,0,0|0,0,0]=2 18793 B18R2.75330 CCSCCOc1cc2ccccc2cc1Br 7a_100009817189_100000757381 [0,2,0,0,0,0|0,0,0]=2 18794 B18R2.75330 CCSCCOc1cc2ccccc2cc1C 34a_100000091601_100000757381 [0,2,0,0,0,0|0,0,0]=2 18795 B18R2.75330 CCSCCOc1cc2ccccc2cc1C 7a_100000091601_100000757381 [0,2,0,0,0,0|0,0,0]=2 18796 B18R2.75330 CCSCCOc1cc2ccccc2cc1N 34a_106744474703_100000757381 [0,2,0,0,0,0|0,0,0]=2 18797 B18R2.75330 CCSCCOc1cc2ccccc2cc1N 7a_106744474703_100000757381 [0,2,0,0,0,0|0,0,0]=2 18798 B18R2.75330 CCSCCOc1cc2ccccc2nc1C 34a_200000079175_100000757381 [0,2,0,0,0,0|1,0,0]=3 18799 B18R2.75330 CCSCCOc1cc2ccccc2nc1C 7a_200000079175_100000757381 [0,2,0,0,0,0|1,0,0]=3 18800 B18R2.75330 CCSCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000757381 [0,2,0,0,0,0|1,0,0]=3 18801 B18R2.75330 CCSCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000757381 [0,2,0,0,0,0|1,0,0]=3 18802 B18R2.75330 CCSCCOc1cc2ccccc2oc1=O 7a_100000061252_100000757381 [0,2,0,0,0,0|1,0,0]=3 18803 B18R2.75330 CCSCCOc1cc2cccnc2cc1Br 34a_200010153759_100000757381 [0,2,0,0,0,0|1,0,0]=3 18804 B18R2.75330 CCSCCOc1cc2cccnc2cc1Br 7a_200010153759_100000757381 [0,2,0,0,0,0|1,0,0]=3 18805 B18R2.75330 CCSCCSc1cc2ccccc2cc1N 62a_100000757381_100009991566 [0,2,0,0,0,0|0,1,0]=3 18806 B18R2.75330 CCSCCSc1cc2ccccc2cc1N 62a_100009991566_100000757381 [0,2,0,0,0,0|0,1,0]=3 18807 B18R2.75330 CCSCCSc1cc2ccccc2cc1O 62a_100000757381_100009817189 [0,2,0,0,0,0|0,1,0]=3 18808 B18R2.75330 CCSCCSc1cc2ccccc2nc1Cl 62a_100000757381_100010220712 [0,2,0,0,0,0|1,1,0]=4 18809 B18R2.75330 CCSCCSc1cc2ccccc2nc1F 62a_100000757381_100011158909 [0,2,0,0,0,0|1,1,0]=4 18810 B18R2.75330 CCSCCSc1cc2ccccc2nc1F 62a_100011158909_100000757381 [0,2,0,0,0,0|1,1,0]=4 18811 B18R2.75330 CCSCCSc1cc2ccccc2nc1N 62a_100010135404_100000757381 [0,2,0,0,0,0|1,1,0]=4 18812 B18R2.75330 CCSCCSc1cc2ccccc2nc1O 62a_100000757381_200009820883 [0,2,0,0,0,0|1,1,0]=4 18813 B18R2.75330 CCSCCSc1cc2ccccc2oc1=O 62a_100000757381_200000187772 [0,2,0,0,0,0|1,1,0]=4 18814 B18R2.75330 CCSCCSc1cc2cccnc2cc1C 62a_100000757381_100010137429 [0,2,0,0,0,0|1,1,0]=4 18815 B18R2.75330 CCSCCSc1cc2cccnc2cc1C 62a_100010137429_100000757381 [0,2,0,0,0,0|1,1,0]=4 18816 B18R2.75330 CCSCCSc1cc2cccnc2cc1F 62a_100000757381_100009854028 [0,2,0,0,0,0|1,1,0]=4 18817 B18R2.75330 CCSCCSc1cc2cccnc2cc1F 62a_100009854028_100000757381 [0,2,0,0,0,0|1,1,0]=4 18818 B18R2.75330 CCSCCSc1cc2ccncc2cc1F 62a_100000757381_100011105921 [0,2,0,0,0,0|1,1,0]=4 18819 B18R2.75330 CCSCCSc1cc2ccncc2cc1F 62a_100011105921_100000757381 [0,2,0,0,0,0|1,1,0]=4 18820 B18R2.75330 CCSCCSc1cc2cnccc2cc1F 62a_100000757381_100010244713 [0,2,0,0,0,0|1,1,0]=4 18821 B18R2.75330 CCSCCSc1cc2cnccc2cc1F 62a_100010244713_100000757381 [0,2,0,0,0,0|1,1,0]=4 18822 B18R2.75330 CCSCCSc1cc2ncccc2cc1O 62a_100000757381_200010153759 [0,2,0,0,0,0|1,1,0]=4 18823 B18R2.75330 CCSCCSc1nc2ccccc2cc1Br 62a_100000757381_100010072790 [0,2,0,0,0,0|1,1,0]=4 18824 B18R2.75330 CCSCCSc1nc2ccccc2cc1Br 62a_100010072790_100000757381 [0,2,0,0,0,0|1,1,0]=4 18825 B18R2.75330 CCSCCSc1nc2ccccc2cc1C 62a_100000757381_100000751756 [0,2,0,0,0,0|1,1,0]=4 18826 B18R2.75330 CCSCCSc1nc2ccccc2cc1O 62a_100000757381_200000100762 [0,2,0,0,0,0|1,1,0]=4 18827 B18R2.75330 COCCCNc1cc2ccccc2cc1Br 34a_100009991566_100000740836 [0,2,0,0,0,0|1,0,0]=3 18828 B18R2.75330 COCCCNc1cc2ccccc2cc1Br 7a_100009991566_100000740836 [0,2,0,0,0,0|1,0,0]=3 18829 B18R2.75330 COCCCNc1nc2ccccc2cc1C 27a_100150723488_100000751756 [0,2,0,0,0,0|2,0,0]=4 18830 B18R2.75330 COCCCOc1cc2ccccc2cc1Br 34a_100009817189_100000740836 [0,2,0,0,0,0|0,0,0]=2 18831 B18R2.75330 COCCCOc1cc2ccccc2cc1Br 7a_100009817189_100000740836 [0,2,0,0,0,0|0,0,0]=2 18832 B18R2.75330 COCCCOc1cc2ccccc2cc1C 34a_100000091601_100000740836 [0,2,0,0,0,0|0,0,0]=2 18833 B18R2.75330 COCCCOc1cc2ccccc2cc1C 7a_100000091601_100000740836 [0,2,0,0,0,0|0,0,0]=2 18834 B18R2.75330 COCCCOc1cc2ccccc2cc1N 34a_106744474703_100000740836 [0,2,0,0,0,0|0,0,0]=2 18835 B18R2.75330 COCCCOc1cc2ccccc2cc1N 7a_106744474703_100000740836 [0,2,0,0,0,0|0,0,0]=2 18836 B18R2.75330 COCCCOc1cc2ccccc2nc1C 34a_200000079175_100000740836 [0,2,0,0,0,0|1,0,0]=3 18837 B18R2.75330 COCCCOc1cc2ccccc2nc1C 7a_200000079175_100000740836 [0,2,0,0,0,0|1,0,0]=3 18838 B18R2.75330 COCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000740836 [0,2,0,0,0,0|1,0,0]=3 18839 B18R2.75330 COCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000740836 [0,2,0,0,0,0|1,0,0]=3 18840 B18R2.75330 COCCCOc1cc2ccccc2oc1=O 7a_100000061252_100000740836 [0,2,0,0,0,0|1,0,0]=3 18841 B18R2.75330 COCCCOc1cc2cccnc2cc1Br 34a_200010153759_100000740836 [0,2,0,0,0,0|1,0,0]=3 18842 B18R2.75330 COCCCOc1cc2cccnc2cc1Br 7a_200010153759_100000740836 [0,2,0,0,0,0|1,0,0]=3 18843 B18R2.75330 COCCCSc1cc2ccccc2cc1Br 62a_100000709357_200010169544 [0,2,0,0,0,0|0,1,0]=3 18844 B18R2.75330 COCCCSc1cc2ccccc2cc1Br 62a_200010169544_100000709357 [0,2,0,0,0,0|0,1,0]=3 18845 B18R2.75330 COCCCSc1cc2ccccc2cc1Cl 62a_100000709357_100010152806 [0,2,0,0,0,0|0,1,0]=3 18846 B18R2.75330 COCCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000709357 [0,2,0,0,0,0|0,1,0]=3 18847 B18R2.75330 COCCCSc1cc2ccccc2cc1N 62a_100000709357_100009991566 [0,2,0,0,0,0|0,1,0]=3 18848 B18R2.75330 COCCCSc1cc2ccccc2cc1N 62a_100009991566_100000709357 [0,2,0,0,0,0|0,1,0]=3 18849 B18R2.75330 COCCCSc1cc2ccccc2cc1O 62a_100000709357_100009817189 [0,2,0,0,0,0|0,1,0]=3 18850 B18R2.75330 COCCCSc1cc2ccccc2nc1Cl 62a_100000709357_100010220712 [0,2,0,0,0,0|1,1,0]=4 18851 B18R2.75330 COCCCSc1cc2ccccc2nc1F 62a_100000709357_100011158909 [0,2,0,0,0,0|1,1,0]=4 18852 B18R2.75330 COCCCSc1cc2ccccc2nc1F 62a_100011158909_100000709357 [0,2,0,0,0,0|1,1,0]=4 18853 B18R2.75330 COCCCSc1cc2ccccc2nc1N 62a_100010135404_100000709357 [0,2,0,0,0,0|1,1,0]=4 18854 B18R2.75330 COCCCSc1cc2ccccc2nc1O 62a_100000709357_200009820883 [0,2,0,0,0,0|1,1,0]=4 18855 B18R2.75330 COCCCSc1cc2ccccc2oc1=O 62a_100000709357_200000187772 [0,2,0,0,0,0|1,1,0]=4 18856 B18R2.75330 COCCCSc1cc2cccnc2cc1C 62a_100000709357_100010137429 [0,2,0,0,0,0|1,1,0]=4 18857 B18R2.75330 COCCCSc1cc2cccnc2cc1C 62a_100010137429_100000709357 [0,2,0,0,0,0|1,1,0]=4 18858 B18R2.75330 COCCCSc1cc2cccnc2cc1F 62a_100000709357_100009854028 [0,2,0,0,0,0|1,1,0]=4 18859 B18R2.75330 COCCCSc1cc2cccnc2cc1F 62a_100009854028_100000709357 [0,2,0,0,0,0|1,1,0]=4 18860 B18R2.75330 COCCCSc1cc2ccncc2cc1F 62a_100000709357_100011105921 [0,2,0,0,0,0|1,1,0]=4 18861 B18R2.75330 COCCCSc1cc2ccncc2cc1F 62a_100011105921_100000709357 [0,2,0,0,0,0|1,1,0]=4 18862 B18R2.75330 COCCCSc1cc2cnccc2cc1F 62a_100000709357_100010244713 [0,2,0,0,0,0|1,1,0]=4 18863 B18R2.75330 COCCCSc1cc2cnccc2cc1F 62a_100010244713_100000709357 [0,2,0,0,0,0|1,1,0]=4 18864 B18R2.75330 COCCCSc1cc2ncccc2cc1O 62a_100000709357_200010153759 [0,2,0,0,0,0|1,1,0]=4 18865 B18R2.75330 COCCCSc1nc2ccccc2cc1Br 62a_100000709357_100010072790 [0,2,0,0,0,0|1,1,0]=4 18866 B18R2.75330 COCCCSc1nc2ccccc2cc1Br 62a_100010072790_100000709357 [0,2,0,0,0,0|1,1,0]=4 18867 B18R2.75330 COCCCSc1nc2ccccc2cc1C 62a_100000709357_100000751756 [0,2,0,0,0,0|1,1,0]=4 18868 B18R2.75330 COCCCSc1nc2ccccc2cc1O 62a_100000709357_200000100762 [0,2,0,0,0,0|1,1,0]=4 18869 B18R2.75330 COCCOCc1cc2ccccc2nc1Cl 34a_100000210237_100000189640 [0,2,0,0,0,0|2,0,0]=4 18870 B18R2.75330 COCCOCc1cc2ccccc2nc1Cl 34a_100000754719_100011201679 [0,2,0,0,0,0|2,0,0]=4 18871 B18R2.75330 COCCOCc1cc2ccccc2nc1Cl 7a_100000754719_100000233755 [0,2,0,0,0,0|2,0,0]=4 18872 B18R2.75330 CSCCCNc1nc2ccccc2cc1C 27a_100000749238_100000751756 [0,2,0,0,0,0|2,0,0]=4 18873 B18R2.75330 CSCCOCc1cc2ccccc2nc1Cl 34a_100000230434_100000189640 [0,2,0,0,0,0|2,0,0]=4 18874 B18R2.75330 CSCCOCc1cc2ccccc2nc1Cl 34a_100000754719_100000212216 [0,2,0,0,0,0|2,0,0]=4 18875 B18R2.75330 CSCCOCc1cc2ccccc2nc1Cl 7a_100000230434_100000189640 [0,2,0,0,0,0|2,0,0]=4 18876 B18R2.75330 CSCCOCc1cc2ccccc2nc1Cl 7a_100000754719_100000212216 [0,2,0,0,0,0|2,0,0]=4 18877 B18R2.75330 Cc1cc2ccccc2cc1OCC#CCO 34a_100000091601_200000047223 [0,2,0,0,0,0|0,0,2]=4 18878 B18R2.75330 Cc1cc2ccccc2cc1OCC#CCO 7a_100000091601_200000047223 [0,2,0,0,0,0|0,0,2]=4 18879 B18R2.75330 Cc1cc2ccccc2cc1OCCCC#N 7a_100000091601_100000687738 [0,2,0,0,0,0|0,0,1]=3 18880 B18R2.75330 Cc1cc2ccccc2cc1OCCCC=O 7a_100000091601_200011292268 [0,2,0,0,0,0|0,0,1]=3 18881 B18R2.75330 Cc1cc2ccccc2cc1OCCCCF 34a_100000091601_100000729493 [0,2,0,0,0,0|0,0,0]=2 18882 B18R2.75330 Cc1cc2ccccc2cc1OCCCCF 7a_100000091601_100000729493 [0,2,0,0,0,0|0,0,0]=2 18883 B18R2.75330 Cc1cc2ccccc2cc1OCCCCO 34a_100000091601_100011216708 [0,2,0,0,0,0|0,0,0]=2 18884 B18R2.75330 Cc1cc2ccccc2cc1OCCCCO 7a_100000091601_100000210776 [0,2,0,0,0,0|0,0,0]=2 18885 B18R2.75330 Cc1cc2ccccc2nc1NCCCCO 27a_100000750430_100000751756 [0,2,0,0,0,0|2,0,0]=4 18886 B18R2.75330 Cc1cc2ccccc2nc1SCCCCF 62a_100000729493_100000751756 [0,2,0,0,0,0|1,1,0]=4 18887 B18R2.75330 Cc1cc2ccccc2nc1SCCCCO 62a_100000210776_100000751756 [0,2,0,0,0,0|1,1,0]=4 18888 B18R2.75330 Cc1cc2ncccc2cc1SCCCCF 62a_100000729493_100010137429 [0,2,0,0,0,0|1,1,0]=4 18889 B18R2.75330 Cc1cc2ncccc2cc1SCCCCF 62a_100010137429_100000729493 [0,2,0,0,0,0|1,1,0]=4 18890 B18R2.75330 Cc1cc2ncccc2cc1SCCCCO 62a_100000210776_100010137429 [0,2,0,0,0,0|1,1,0]=4 18891 B18R2.75330 Cc1cc2ncccc2cc1SCCCCO 62a_100010137429_100000210776 [0,2,0,0,0,0|1,1,0]=4 18892 B18R2.75330 Cc1nc2ccccc2cc1OCCCC#N 7a_200000079175_100000687738 [0,2,0,0,0,0|1,0,1]=4 18893 B18R2.75330 Cc1nc2ccccc2cc1OCCCC=O 7a_200000079175_200011292268 [0,2,0,0,0,0|1,0,1]=4 18894 B18R2.75330 Cc1nc2ccccc2cc1OCCCCF 34a_200000079175_100000729493 [0,2,0,0,0,0|1,0,0]=3 18895 B18R2.75330 Cc1nc2ccccc2cc1OCCCCF 7a_200000079175_100000729493 [0,2,0,0,0,0|1,0,0]=3 18896 B18R2.75330 Cc1nc2ccccc2cc1OCCCCO 34a_200000079175_100011216708 [0,2,0,0,0,0|1,0,0]=3 18897 B18R2.75330 Cc1nc2ccccc2cc1OCCCCO 7a_200000079175_100000210776 [0,2,0,0,0,0|1,0,0]=3 18898 B18R2.75330 ClCCCOCc1cc2ccccc2nc1Cl 34a_100000230001_100000189640 [0,2,0,0,0,0|2,0,0]=4 18899 B18R2.75330 Clc1nc2ccccc2cc1COCCCBr 34a_100011217188_100000189640 [0,2,0,0,0,0|2,0,0]=4 18900 B18R2.75330 FCCCCNc1cc2ccccc2cc1Br 34a_100009991566_100000729493 [0,2,0,0,0,0|1,0,0]=3 18901 B18R2.75330 FCCCCNc1cc2ccccc2cc1Br 7a_100009991566_100000729493 [0,2,0,0,0,0|1,0,0]=3 18902 B18R2.75330 FCCCCOc1cc2ccccc2cc1Br 34a_100009817189_100000729493 [0,2,0,0,0,0|0,0,0]=2 18903 B18R2.75330 FCCCCOc1cc2ccccc2cc1Br 7a_100009817189_100000729493 [0,2,0,0,0,0|0,0,0]=2 18904 B18R2.75330 FCCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100000729493 [0,2,0,0,0,0|1,0,0]=3 18905 B18R2.75330 FCCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000729493 [0,2,0,0,0,0|1,0,0]=3 18906 B18R2.75330 FCCCCOc1cc2cccnc2cc1Br 34a_200010153759_100000729493 [0,2,0,0,0,0|1,0,0]=3 18907 B18R2.75330 FCCCCOc1cc2cccnc2cc1Br 7a_200010153759_100000729493 [0,2,0,0,0,0|1,0,0]=3 18908 B18R2.75330 FCCCCSc1cc2ccccc2nc1Cl 62a_100000729493_100010220712 [0,2,0,0,0,0|1,1,0]=4 18909 B18R2.75330 FCCCCSc1cc2ccccc2nc1F 62a_100000729493_100011158909 [0,2,0,0,0,0|1,1,0]=4 18910 B18R2.75330 FCCCCSc1cc2ccccc2nc1F 62a_100011158909_100000729493 [0,2,0,0,0,0|1,1,0]=4 18911 B18R2.75330 FCCCCSc1cc2cccnc2cc1F 62a_100000729493_100009854028 [0,2,0,0,0,0|1,1,0]=4 18912 B18R2.75330 FCCCCSc1cc2cccnc2cc1F 62a_100009854028_100000729493 [0,2,0,0,0,0|1,1,0]=4 18913 B18R2.75330 FCCCCSc1cc2ccncc2cc1F 62a_100000729493_100011105921 [0,2,0,0,0,0|1,1,0]=4 18914 B18R2.75330 FCCCCSc1cc2ccncc2cc1F 62a_100011105921_100000729493 [0,2,0,0,0,0|1,1,0]=4 18915 B18R2.75330 FCCCCSc1cc2cnccc2cc1F 62a_100000729493_100010244713 [0,2,0,0,0,0|1,1,0]=4 18916 B18R2.75330 FCCCCSc1cc2cnccc2cc1F 62a_100010244713_100000729493 [0,2,0,0,0,0|1,1,0]=4 18917 B18R2.75330 FCCCCSc1nc2ccccc2cc1Br 62a_100000729493_100010072790 [0,2,0,0,0,0|1,1,0]=4 18918 B18R2.75330 FCCCCSc1nc2ccccc2cc1Br 62a_100010072790_100000729493 [0,2,0,0,0,0|1,1,0]=4 18919 B18R2.75330 FCCCOCc1cc2ccccc2nc1Cl 34a_100000754719_100011934791 [0,2,0,0,0,0|2,0,0]=4 18920 B18R2.75330 FCCCOCc1cc2ccccc2nc1Cl 34a_100000759539_100000189640 [0,2,0,0,0,0|2,0,0]=4 18921 B18R2.75330 FCCCOCc1cc2ccccc2nc1Cl 7a_100000754719_100011934791 [0,2,0,0,0,0|2,0,0]=4 18922 B18R2.75330 N#CCCCNc1cc2ccccc2cc1Br 7a_100009991566_100000687738 [0,2,0,0,0,0|1,0,1]=4 18923 B18R2.75330 N#CCCCOc1cc2ccccc2cc1Br 7a_100009817189_100000687738 [0,2,0,0,0,0|0,0,1]=3 18924 B18R2.75330 N#CCCCOc1cc2ccccc2cc1N 7a_106744474703_100000687738 [0,2,0,0,0,0|0,0,1]=3 18925 B18R2.75330 N#CCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000687738 [0,2,0,0,0,0|1,0,1]=4 18926 B18R2.75330 N#CCCCOc1cc2ccccc2oc1=O 7a_100000061252_100000687738 [0,2,0,0,0,0|1,0,1]=4 18927 B18R2.75330 N#CCCCOc1cc2cccnc2cc1Br 7a_200010153759_100000687738 [0,2,0,0,0,0|1,0,1]=4 18928 B18R2.75330 N#CCCCSc1cc2ccccc2cc1Cl 62a_100000687738_100010152806 [0,2,0,0,0,0|0,1,1]=4 18929 B18R2.75330 N#CCCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000687738 [0,2,0,0,0,0|0,1,1]=4 18930 B18R2.75330 N#CCCCSc1cc2ccccc2cc1N 62a_100000687738_100009991566 [0,2,0,0,0,0|0,1,1]=4 18931 B18R2.75330 N#CCCCSc1cc2ccccc2cc1N 62a_100009991566_100000687738 [0,2,0,0,0,0|0,1,1]=4 18932 B18R2.75330 N#CCCCSc1cc2ccccc2cc1O 62a_100000687738_100009817189 [0,2,0,0,0,0|0,1,1]=4 18933 B18R2.75330 NCCCOCc1cc2ccccc2nc1Cl 34a_100000182051_100000189640 [0,2,0,0,0,0|2,0,0]=4 18934 B18R2.75330 Nc1cc2ccccc2cc1OCC#CCO 34a_106744474703_200000047223 [0,2,0,0,0,0|0,0,2]=4 18935 B18R2.75330 Nc1cc2ccccc2cc1OCC#CCO 7a_106744474703_200000047223 [0,2,0,0,0,0|0,0,2]=4 18936 B18R2.75330 Nc1cc2ccccc2cc1OCCCC=O 7a_106744474703_200011292268 [0,2,0,0,0,0|0,0,1]=3 18937 B18R2.75330 Nc1cc2ccccc2cc1OCCCCF 34a_106744474703_100000729493 [0,2,0,0,0,0|0,0,0]=2 18938 B18R2.75330 Nc1cc2ccccc2cc1OCCCCF 7a_106744474703_100000729493 [0,2,0,0,0,0|0,0,0]=2 18939 B18R2.75330 Nc1cc2ccccc2cc1OCCCCO 34a_106744474703_100011216708 [0,2,0,0,0,0|0,0,0]=2 18940 B18R2.75330 Nc1cc2ccccc2cc1OCCCCO 7a_106744474703_100000210776 [0,2,0,0,0,0|0,0,0]=2 18941 B18R2.75330 Nc1cc2ccccc2cc1SCCCC=O 62a_100009991566_200011292268 [0,2,0,0,0,0|0,1,1]=4 18942 B18R2.75330 Nc1cc2ccccc2cc1SCCCC=O 62a_200011292268_100009991566 [0,2,0,0,0,0|0,1,1]=4 18943 B18R2.75330 Nc1cc2ccccc2cc1SCCCCF 62a_100000729493_100009991566 [0,2,0,0,0,0|0,1,0]=3 18944 B18R2.75330 Nc1cc2ccccc2cc1SCCCCF 62a_100009991566_100000729493 [0,2,0,0,0,0|0,1,0]=3 18945 B18R2.75330 Nc1cc2ccccc2cc1SCCCCO 62a_100000210776_100009991566 [0,2,0,0,0,0|0,1,0]=3 18946 B18R2.75330 Nc1cc2ccccc2cc1SCCCCO 62a_100009991566_100000210776 [0,2,0,0,0,0|0,1,0]=3 18947 B18R2.75330 Nc1nc2ccccc2cc1SCCCCF 62a_100010135404_100000729493 [0,2,0,0,0,0|1,1,0]=4 18948 B18R2.75330 Nc1nc2ccccc2cc1SCCCCO 62a_100010135404_100000210776 [0,2,0,0,0,0|1,1,0]=4 18949 B18R2.75330 O=CCCCNc1cc2ccccc2cc1Br 7a_100009991566_200011292268 [0,2,0,0,0,0|1,0,1]=4 18950 B18R2.75330 O=CCCCOc1cc2ccccc2cc1Br 7a_100009817189_200011292268 [0,2,0,0,0,0|0,0,1]=3 18951 B18R2.75330 O=CCCCOc1cc2ccccc2nc1Cl 7a_200000100762_200011292268 [0,2,0,0,0,0|1,0,1]=4 18952 B18R2.75330 O=CCCCOc1cc2ccccc2oc1=O 7a_100000061252_200011292268 [0,2,0,0,0,0|1,0,1]=4 18953 B18R2.75330 O=CCCCOc1cc2cccnc2cc1Br 7a_200010153759_200011292268 [0,2,0,0,0,0|1,0,1]=4 18954 B18R2.75330 O=CCCCSc1cc2ccccc2cc1Br 62a_200010169544_200011292268 [0,2,0,0,0,0|0,1,1]=4 18955 B18R2.75330 O=CCCCSc1cc2ccccc2cc1Br 62a_200011292268_200010169544 [0,2,0,0,0,0|0,1,1]=4 18956 B18R2.75330 O=CCCCSc1cc2ccccc2cc1Cl 62a_100010152806_200011292268 [0,2,0,0,0,0|0,1,1]=4 18957 B18R2.75330 O=CCCCSc1cc2ccccc2cc1Cl 62a_200011292268_100010152806 [0,2,0,0,0,0|0,1,1]=4 18958 B18R2.75330 O=CCCCSc1cc2ccccc2cc1O 62a_200011292268_100009817189 [0,2,0,0,0,0|0,1,1]=4 18959 B18R2.75330 O=c1oc2ccccc2cc1OCCCCF 7a_100000061252_100000729493 [0,2,0,0,0,0|1,0,0]=3 18960 B18R2.75330 O=c1oc2ccccc2cc1OCCCCO 7a_100000061252_100000210776 [0,2,0,0,0,0|1,0,0]=3 18961 B18R2.75330 O=c1oc2ccccc2cc1SCCCCF 62a_100000729493_200000187772 [0,2,0,0,0,0|1,1,0]=4 18962 B18R2.75330 O=c1oc2ccccc2cc1SCCCCO 62a_100000210776_200000187772 [0,2,0,0,0,0|1,1,0]=4 18963 B18R2.75330 OCC#CCOc1cc2ccccc2cc1Br 34a_100009817189_200000047223 [0,2,0,0,0,0|0,0,2]=4 18964 B18R2.75330 OCC#CCOc1cc2ccccc2cc1Br 7a_100009817189_200000047223 [0,2,0,0,0,0|0,0,2]=4 18965 B18R2.75330 OCCCCNc1cc2ccccc2cc1Br 34a_100009991566_100011216708 [0,2,0,0,0,0|1,0,0]=3 18966 B18R2.75330 OCCCCNc1cc2ccccc2cc1Br 7a_100009991566_100000210776 [0,2,0,0,0,0|1,0,0]=3 18967 B18R2.75330 OCCCCOc1cc2ccccc2cc1Br 34a_100009817189_100011216708 [0,2,0,0,0,0|0,0,0]=2 18968 B18R2.75330 OCCCCOc1cc2ccccc2cc1Br 7a_100009817189_100000210776 [0,2,0,0,0,0|0,0,0]=2 18969 B18R2.75330 OCCCCOc1cc2ccccc2nc1Cl 34a_200000100762_100011216708 [0,2,0,0,0,0|1,0,0]=3 18970 B18R2.75330 OCCCCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210776 [0,2,0,0,0,0|1,0,0]=3 18971 B18R2.75330 OCCCCOc1cc2cccnc2cc1Br 34a_200010153759_100011216708 [0,2,0,0,0,0|1,0,0]=3 18972 B18R2.75330 OCCCCOc1cc2cccnc2cc1Br 7a_200010153759_100000210776 [0,2,0,0,0,0|1,0,0]=3 18973 B18R2.75330 OCCCCSc1cc2ccccc2cc1Br 62a_100000210776_200010169544 [0,2,0,0,0,0|0,1,0]=3 18974 B18R2.75330 OCCCCSc1cc2ccccc2cc1Br 62a_200010169544_100000210776 [0,2,0,0,0,0|0,1,0]=3 18975 B18R2.75330 OCCCCSc1cc2ccccc2cc1Cl 62a_100000210776_100010152806 [0,2,0,0,0,0|0,1,0]=3 18976 B18R2.75330 OCCCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000210776 [0,2,0,0,0,0|0,1,0]=3 18977 B18R2.75330 OCCCCSc1cc2ccccc2cc1O 62a_100000210776_100009817189 [0,2,0,0,0,0|0,1,0]=3 18978 B18R2.75330 OCCCCSc1cc2ccccc2nc1Cl 62a_100000210776_100010220712 [0,2,0,0,0,0|1,1,0]=4 18979 B18R2.75330 OCCCCSc1cc2ccccc2nc1F 62a_100000210776_100011158909 [0,2,0,0,0,0|1,1,0]=4 18980 B18R2.75330 OCCCCSc1cc2ccccc2nc1F 62a_100011158909_100000210776 [0,2,0,0,0,0|1,1,0]=4 18981 B18R2.75330 OCCCCSc1cc2ccccc2nc1O 62a_100000210776_200009820883 [0,2,0,0,0,0|1,1,0]=4 18982 B18R2.75330 OCCCCSc1cc2cccnc2cc1F 62a_100000210776_100009854028 [0,2,0,0,0,0|1,1,0]=4 18983 B18R2.75330 OCCCCSc1cc2cccnc2cc1F 62a_100009854028_100000210776 [0,2,0,0,0,0|1,1,0]=4 18984 B18R2.75330 OCCCCSc1cc2ccncc2cc1F 62a_100000210776_100011105921 [0,2,0,0,0,0|1,1,0]=4 18985 B18R2.75330 OCCCCSc1cc2ccncc2cc1F 62a_100011105921_100000210776 [0,2,0,0,0,0|1,1,0]=4 18986 B18R2.75330 OCCCCSc1cc2cnccc2cc1F 62a_100000210776_100010244713 [0,2,0,0,0,0|1,1,0]=4 18987 B18R2.75330 OCCCCSc1cc2cnccc2cc1F 62a_100010244713_100000210776 [0,2,0,0,0,0|1,1,0]=4 18988 B18R2.75330 OCCCCSc1cc2ncccc2cc1O 62a_100000210776_200010153759 [0,2,0,0,0,0|1,1,0]=4 18989 B18R2.75330 OCCCCSc1nc2ccccc2cc1Br 62a_100000210776_100010072790 [0,2,0,0,0,0|1,1,0]=4 18990 B18R2.75330 OCCCCSc1nc2ccccc2cc1Br 62a_100010072790_100000210776 [0,2,0,0,0,0|1,1,0]=4 18991 B18R2.75330 OCCCCSc1nc2ccccc2cc1O 62a_100000210776_200000100762 [0,2,0,0,0,0|1,1,0]=4 18992 B18R2.75330 OCCCOCc1cc2ccccc2nc1Cl 34a_100000754719_100000230001 [0,2,0,0,0,0|2,0,0]=4 18993 B18R2.75330 OCCCOCc1cc2ccccc2nc1Cl 7a_100000754719_100011215043 [0,2,0,0,0,0|2,0,0]=4 18994 B18R2.75330 Oc1cc2ccccc2cc1SCCCCF 62a_100000729493_100009817189 [0,2,0,0,0,0|0,1,0]=3 18995 B18R2.75330 Oc1cc2ccccc2nc1SCCCCF 62a_100000729493_200000100762 [0,2,0,0,0,0|1,1,0]=4 18996 B18R2.75330 Oc1cc2cccnc2cc1SCCCCF 62a_100000729493_200010153759 [0,2,0,0,0,0|1,1,0]=4 18997 B18R2.75330 Oc1nc2ccccc2cc1SCCCCF 62a_100000729493_200009820883 [0,2,0,0,0,0|1,1,0]=4 18998 B18R2.583487 C#CCCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000695029 [0,2,0,0,0,0|1,0,1]=4 18999 B18R2.583487 C#CCCCNc1ccc2c(cccc2c1)O 7a_100000035793_100011215417 [0,2,0,0,0,0|1,0,1]=4 19000 B18R2.583487 C#CCCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000695029 [0,2,0,0,0,0|1,0,1]=4 19001 B18R2.583487 C#CCCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100011215417 [0,2,0,0,0,0|1,0,1]=4 19002 B18R2.583487 C#CCCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000695029 [0,2,0,0,0,0|1,0,1]=4 19003 B18R2.583487 C#CCCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100011215417 [0,2,0,0,0,0|1,0,1]=4 19004 B18R2.583487 C#CCCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000695029 [0,2,0,0,0,0|0,0,1]=3 19005 B18R2.583487 C#CCCCOc1ccc2c(cccc2c1)N 7a_100000034668_100011215417 [0,2,0,0,0,0|0,0,1]=3 19006 B18R2.583487 C#CCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000695029 [0,2,0,0,0,0|1,0,1]=4 19007 B18R2.583487 C#CCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100011215417 [0,2,0,0,0,0|1,0,1]=4 19008 B18R2.583487 C#CCCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000695029 [0,2,0,0,0,0|1,0,1]=4 19009 B18R2.583487 C#CCCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100011215417 [0,2,0,0,0,0|1,0,1]=4 19010 B18R2.583487 C#CCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000695029 [0,2,0,0,0,0|1,0,1]=4 19011 B18R2.583487 C#CCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011215417 [0,2,0,0,0,0|1,0,1]=4 19012 B18R2.583487 C#CCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000695029 [0,2,0,0,0,0|1,0,1]=4 19013 B18R2.583487 C#CCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100011215417 [0,2,0,0,0,0|1,0,1]=4 19014 B18R2.583487 C#CCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000695029 [0,2,0,0,0,0|1,0,1]=4 19015 B18R2.583487 C#CCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100011215417 [0,2,0,0,0,0|1,0,1]=4 19016 B18R2.583487 C#CCCCSc1ccc2c(cccc2c1)N 62a_100010090037_100011215417 [0,2,0,0,0,0|0,1,1]=4 19017 B18R2.583487 C#CCCCSc1ccc2c(cccc2c1)N 62a_100011215417_100010090037 [0,2,0,0,0,0|0,1,1]=4 19018 B18R2.583487 C#CCCCSc1ccc2c(cccc2c1)O 62a_100011215417_100010202202 [0,2,0,0,0,0|0,1,1]=4 19019 B18R2.583487 C=CCCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000757094 [0,2,0,0,0,0|1,0,1]=4 19020 B18R2.583487 C=CCCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000757094 [0,2,0,0,0,0|1,0,1]=4 19021 B18R2.583487 C=CCCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000757094 [0,2,0,0,0,0|1,0,1]=4 19022 B18R2.583487 C=CCCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000757094 [0,2,0,0,0,0|1,0,1]=4 19023 B18R2.583487 C=CCCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000757094 [0,2,0,0,0,0|1,0,1]=4 19024 B18R2.583487 C=CCCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000757094 [0,2,0,0,0,0|1,0,1]=4 19025 B18R2.583487 C=CCCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000757094 [0,2,0,0,0,0|0,0,1]=3 19026 B18R2.583487 C=CCCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000757094 [0,2,0,0,0,0|0,0,1]=3 19027 B18R2.583487 C=CCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000757094 [0,2,0,0,0,0|1,0,1]=4 19028 B18R2.583487 C=CCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000757094 [0,2,0,0,0,0|1,0,1]=4 19029 B18R2.583487 C=CCCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000757094 [0,2,0,0,0,0|1,0,1]=4 19030 B18R2.583487 C=CCCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000757094 [0,2,0,0,0,0|1,0,1]=4 19031 B18R2.583487 C=CCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000757094 [0,2,0,0,0,0|1,0,1]=4 19032 B18R2.583487 C=CCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000757094 [0,2,0,0,0,0|1,0,1]=4 19033 B18R2.583487 C=CCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000757094 [0,2,0,0,0,0|1,0,1]=4 19034 B18R2.583487 C=CCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000757094 [0,2,0,0,0,0|1,0,1]=4 19035 B18R2.583487 C=CCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000757094 [0,2,0,0,0,0|1,0,1]=4 19036 B18R2.583487 C=CCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000757094 [0,2,0,0,0,0|1,0,1]=4 19037 B18R2.583487 C=CCCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000757094 [0,2,0,0,0,0|0,1,1]=4 19038 B18R2.583487 C=CCCCSc1ccc2c(cccc2c1)N 62a_100011713584_100010090037 [0,2,0,0,0,0|0,1,1]=4 19039 B18R2.583487 C=CCCCSc1ccc2c(cccc2c1)O 62a_100011713584_100010202202 [0,2,0,0,0,0|0,1,1]=4 19040 B18R2.583487 C=COCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000039644 [0,2,0,0,0,0|0,0,2]=4 19041 B18R2.583487 C=COCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000039644 [0,2,0,0,0,0|0,0,2]=4 19042 B18R2.583487 CC/C=C\CNc1ccc2c(cccc2c1)O 34a_100000035793_100103147603 [0,2,0,0,0,0|1,0,1]=4 19043 B18R2.583487 CC/C=C\CNc1ccc2c(cccc2c1)O 7a_100000035793_100103147603 [0,2,0,0,0,0|1,0,1]=4 19044 B18R2.583487 CC/C=C\COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100103147603 [0,2,0,0,0,0|1,0,1]=4 19045 B18R2.583487 CC/C=C\COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100103147603 [0,2,0,0,0,0|1,0,1]=4 19046 B18R2.583487 CC/C=C\COc1ccc2c(=O)ccoc2c1 34a_200000065989_100103147603 [0,2,0,0,0,0|1,0,1]=4 19047 B18R2.583487 CC/C=C\COc1ccc2c(=O)ccoc2c1 7a_200000065989_100103147603 [0,2,0,0,0,0|1,0,1]=4 19048 B18R2.583487 CC/C=C\COc1ccc2c(cccc2c1)N 34a_100000034668_100103147603 [0,2,0,0,0,0|0,0,1]=3 19049 B18R2.583487 CC/C=C\COc1ccc2c(cccc2c1)N 7a_100000034668_100103147603 [0,2,0,0,0,0|0,0,1]=3 19050 B18R2.583487 CC/C=C\COc1ccc2c(ccnc2c1)Br 34a_100010204257_100103147603 [0,2,0,0,0,0|1,0,1]=4 19051 B18R2.583487 CC/C=C\COc1ccc2c(ccnc2c1)Br 7a_100010204257_100103147603 [0,2,0,0,0,0|1,0,1]=4 19052 B18R2.583487 CC/C=C\COc1ccc2c(ccnc2c1)C 34a_200009854145_100103147603 [0,2,0,0,0,0|1,0,1]=4 19053 B18R2.583487 CC/C=C\COc1ccc2c(ccnc2c1)C 7a_200009854145_100103147603 [0,2,0,0,0,0|1,0,1]=4 19054 B18R2.583487 CC/C=C\COc1ccc2c(ccnc2c1)Cl 34a_100000045489_100103147603 [0,2,0,0,0,0|1,0,1]=4 19055 B18R2.583487 CC/C=C\COc1ccc2c(ccnc2c1)Cl 7a_100000045489_100103147603 [0,2,0,0,0,0|1,0,1]=4 19056 B18R2.583487 CC/C=C\COc1ccc2c(nccc2c1)Cl 34a_100009867704_100103147603 [0,2,0,0,0,0|1,0,1]=4 19057 B18R2.583487 CC/C=C\COc1ccc2c(nccc2c1)Cl 7a_100009867704_100103147603 [0,2,0,0,0,0|1,0,1]=4 19058 B18R2.583487 CC/C=C\COc1cnc2c(cccc2c1)F 34a_100012184956_100103147603 [0,2,0,0,0,0|1,0,1]=4 19059 B18R2.583487 CC/C=C\COc1cnc2c(cccc2c1)F 7a_100012184956_100103147603 [0,2,0,0,0,0|1,0,1]=4 19060 B18R2.583487 CC/C=C\CSc1ccc2c(cccc2c1)N 62a_100010090037_100103147603 [0,2,0,0,0,0|0,1,1]=4 19061 B18R2.583487 CC/C=C\CSc1ccc2c(cccc2c1)N 62a_100103147603_100010090037 [0,2,0,0,0,0|0,1,1]=4 19062 B18R2.583487 CC/C=C\CSc1ccc2c(cccc2c1)O 62a_100103147603_100010202202 [0,2,0,0,0,0|0,1,1]=4 19063 B18R2.583487 CCC#CCNc1ccc2c(cccc2c1)O 34a_100000035793_100009813939 [0,2,0,0,0,0|1,0,1]=4 19064 B18R2.583487 CCC#CCNc1ccc2c(cccc2c1)O 7a_100000035793_100009813939 [0,2,0,0,0,0|1,0,1]=4 19065 B18R2.583487 CCC#CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100009813939 [0,2,0,0,0,0|1,0,1]=4 19066 B18R2.583487 CCC#CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100009813939 [0,2,0,0,0,0|1,0,1]=4 19067 B18R2.583487 CCC#CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100009813939 [0,2,0,0,0,0|1,0,1]=4 19068 B18R2.583487 CCC#CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100009813939 [0,2,0,0,0,0|1,0,1]=4 19069 B18R2.583487 CCC#CCOc1ccc2c(cccc2c1)N 34a_100000034668_100009813939 [0,2,0,0,0,0|0,0,1]=3 19070 B18R2.583487 CCC#CCOc1ccc2c(cccc2c1)N 7a_100000034668_100009813939 [0,2,0,0,0,0|0,0,1]=3 19071 B18R2.583487 CCC#CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100009813939 [0,2,0,0,0,0|1,0,1]=4 19072 B18R2.583487 CCC#CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100009813939 [0,2,0,0,0,0|1,0,1]=4 19073 B18R2.583487 CCC#CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100009813939 [0,2,0,0,0,0|1,0,1]=4 19074 B18R2.583487 CCC#CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100009813939 [0,2,0,0,0,0|1,0,1]=4 19075 B18R2.583487 CCC#CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100009813939 [0,2,0,0,0,0|1,0,1]=4 19076 B18R2.583487 CCC#CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100009813939 [0,2,0,0,0,0|1,0,1]=4 19077 B18R2.583487 CCC#CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100009813939 [0,2,0,0,0,0|1,0,1]=4 19078 B18R2.583487 CCC#CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100009813939 [0,2,0,0,0,0|1,0,1]=4 19079 B18R2.583487 CCC#CCOc1cnc2c(cccc2c1)F 34a_100012184956_100009813939 [0,2,0,0,0,0|1,0,1]=4 19080 B18R2.583487 CCC#CCOc1cnc2c(cccc2c1)F 7a_100012184956_100009813939 [0,2,0,0,0,0|1,0,1]=4 19081 B18R2.583487 CCC#CCSc1ccc2c(cccc2c1)N 62a_100009813939_100010090037 [0,2,0,0,0,0|0,1,1]=4 19082 B18R2.583487 CCC#CCSc1ccc2c(cccc2c1)N 62a_100010090037_100009813939 [0,2,0,0,0,0|0,1,1]=4 19083 B18R2.583487 CCC#CCSc1ccc2c(cccc2c1)O 62a_100009813939_100010202202 [0,2,0,0,0,0|0,1,1]=4 19084 B18R2.583487 CCCCC=Cc1ccc2c(=O)ccoc2c1 271570a_100016275911_100010062221 [0,2,0,0,0,0|2,0,0]=4 19085 B18R2.583487 CCCCC=Cc1ccc2c(cccc2c1)N 271570a_100016275911_100010090037 [0,2,0,0,0,0|1,0,0]=3 19086 B18R2.583487 CCCCC=Cc1ccc2c(cccc2c1)O 271570a_100016275911_100010202202 [0,2,0,0,0,0|1,0,0]=3 19087 B18R2.583487 CCCCC=Cc1ccc2c(ccnc2c1)C 271570a_100016275911_100010132309 [0,2,0,0,0,0|2,0,0]=4 19088 B18R2.583487 CCCCC=Cc1ccc2c(ccnc2c1)N 271570a_100016275911_200009816820 [0,2,0,0,0,0|2,0,0]=4 19089 B18R2.583487 CCCCC=Cc1ccc2c(ccnc2c1)O 271570a_100016275911_100000756855 [0,2,0,0,0,0|2,0,0]=4 19090 B18R2.583487 CCCCC=Cc1ccc2c(nccc2c1)N 271570a_100016275911_100000732483 [0,2,0,0,0,0|2,0,0]=4 19091 B18R2.583487 CCCCC=Cc1ccc2c(nccc2c1)O 271570a_100016275911_100000760485 [0,2,0,0,0,0|2,0,0]=4 19092 B18R2.583487 CCCCC=Cc1cnc2c(cccc2c1)C 271570a_100016275911_100009829671 [0,2,0,0,0,0|2,0,0]=4 19093 B18R2.583487 CCCCC=Cc1cnc2c(cccc2c1)F 271570a_100016275911_100000049890 [0,2,0,0,0,0|2,0,0]=4 19094 B18R2.583487 CCCCC=Cc1cnc2c(cccc2c1)N 271570a_100016275911_100000702407 [0,2,0,0,0,0|2,0,0]=4 19095 B18R2.583487 CCCCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000718602 [0,2,0,0,0,0|1,0,0]=3 19096 B18R2.583487 CCCCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210326 [0,2,0,0,0,0|1,0,0]=3 19097 B18R2.583487 CCCCCNc1ccc2c(ccnc2c1)Cl 27a_100000209983_100009996786 [0,2,0,0,0,0|2,0,0]=4 19098 B18R2.583487 CCCCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000718602 [0,2,0,0,0,0|1,0,0]=3 19099 B18R2.583487 CCCCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210326 [0,2,0,0,0,0|1,0,0]=3 19100 B18R2.583487 CCCCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000718602 [0,2,0,0,0,0|1,0,0]=3 19101 B18R2.583487 CCCCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210326 [0,2,0,0,0,0|1,0,0]=3 19102 B18R2.583487 CCCCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000718602 [0,2,0,0,0,0|0,0,0]=2 19103 B18R2.583487 CCCCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210326 [0,2,0,0,0,0|0,0,0]=2 19104 B18R2.583487 CCCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000718602 [0,2,0,0,0,0|1,0,0]=3 19105 B18R2.583487 CCCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210326 [0,2,0,0,0,0|1,0,0]=3 19106 B18R2.583487 CCCCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000718602 [0,2,0,0,0,0|1,0,0]=3 19107 B18R2.583487 CCCCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210326 [0,2,0,0,0,0|1,0,0]=3 19108 B18R2.583487 CCCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000718602 [0,2,0,0,0,0|1,0,0]=3 19109 B18R2.583487 CCCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210326 [0,2,0,0,0,0|1,0,0]=3 19110 B18R2.583487 CCCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000718602 [0,2,0,0,0,0|1,0,0]=3 19111 B18R2.583487 CCCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210326 [0,2,0,0,0,0|1,0,0]=3 19112 B18R2.583487 CCCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000718602 [0,2,0,0,0,0|1,0,0]=3 19113 B18R2.583487 CCCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210326 [0,2,0,0,0,0|1,0,0]=3 19114 B18R2.583487 CCCCCSc1ccc2c(=O)ccoc2c1 62a_100000210326_100010062221 [0,2,0,0,0,0|1,1,0]=4 19115 B18R2.583487 CCCCCSc1ccc2c(cccc2c1)N 62a_100000210326_100010090037 [0,2,0,0,0,0|0,1,0]=3 19116 B18R2.583487 CCCCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210326 [0,2,0,0,0,0|0,1,0]=3 19117 B18R2.583487 CCCCCSc1ccc2c(cccc2c1)O 62a_100000210326_100010202202 [0,2,0,0,0,0|0,1,0]=3 19118 B18R2.583487 CCCCCSc1ccc2c(ccnc2c1)C 62a_100000210326_100010132309 [0,2,0,0,0,0|1,1,0]=4 19119 B18R2.583487 CCCCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000210326 [0,2,0,0,0,0|1,1,0]=4 19120 B18R2.583487 CCCCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000210326 [0,2,0,0,0,0|1,1,0]=4 19121 B18R2.583487 CCCCCSc1ccc2c(ccnc2c1)O 62a_100000210326_100000756855 [0,2,0,0,0,0|1,1,0]=4 19122 B18R2.583487 CCCCCSc1ccc2c(nccc2c1)N 62a_100000210326_100000732483 [0,2,0,0,0,0|1,1,0]=4 19123 B18R2.583487 CCCCCSc1ccc2c(nccc2c1)N 62a_100000732483_100000210326 [0,2,0,0,0,0|1,1,0]=4 19124 B18R2.583487 CCCCCSc1ccc2c(nccc2c1)O 62a_100000210326_100000760485 [0,2,0,0,0,0|1,1,0]=4 19125 B18R2.583487 CCCCCSc1cnc2c(cccc2c1)C 62a_100000210326_100009829671 [0,2,0,0,0,0|1,1,0]=4 19126 B18R2.583487 CCCCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000210326 [0,2,0,0,0,0|1,1,0]=4 19127 B18R2.583487 CCCCCSc1cnc2c(cccc2c1)F 62a_100000210326_100000049890 [0,2,0,0,0,0|1,1,0]=4 19128 B18R2.583487 CCCCCSc1cnc2c(cccc2c1)N 62a_100000210326_100000702407 [0,2,0,0,0,0|1,1,0]=4 19129 B18R2.583487 CCOCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210147 [0,2,0,0,0,0|1,0,0]=3 19130 B18R2.583487 CCOCCNc1ccc2c(cccc2c1)O 7a_100000035793_100011215890 [0,2,0,0,0,0|1,0,0]=3 19131 B18R2.583487 CCOCCNc1ccc2c(ccnc2c1)Cl 27a_100011200944_100009996786 [0,2,0,0,0,0|2,0,0]=4 19132 B18R2.583487 CCOCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210147 [0,2,0,0,0,0|1,0,0]=3 19133 B18R2.583487 CCOCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100011215890 [0,2,0,0,0,0|1,0,0]=3 19134 B18R2.583487 CCOCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210147 [0,2,0,0,0,0|1,0,0]=3 19135 B18R2.583487 CCOCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100011215890 [0,2,0,0,0,0|1,0,0]=3 19136 B18R2.583487 CCOCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210147 [0,2,0,0,0,0|0,0,0]=2 19137 B18R2.583487 CCOCCOc1ccc2c(cccc2c1)N 7a_100000034668_100011215890 [0,2,0,0,0,0|0,0,0]=2 19138 B18R2.583487 CCOCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210147 [0,2,0,0,0,0|1,0,0]=3 19139 B18R2.583487 CCOCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100011215890 [0,2,0,0,0,0|1,0,0]=3 19140 B18R2.583487 CCOCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210147 [0,2,0,0,0,0|1,0,0]=3 19141 B18R2.583487 CCOCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100011215890 [0,2,0,0,0,0|1,0,0]=3 19142 B18R2.583487 CCOCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210147 [0,2,0,0,0,0|1,0,0]=3 19143 B18R2.583487 CCOCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100011215890 [0,2,0,0,0,0|1,0,0]=3 19144 B18R2.583487 CCOCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210147 [0,2,0,0,0,0|1,0,0]=3 19145 B18R2.583487 CCOCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100011215890 [0,2,0,0,0,0|1,0,0]=3 19146 B18R2.583487 CCOCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210147 [0,2,0,0,0,0|1,0,0]=3 19147 B18R2.583487 CCOCCOc1cnc2c(cccc2c1)F 7a_100012184956_100011215890 [0,2,0,0,0,0|1,0,0]=3 19148 B18R2.583487 CCOCCSc1ccc2c(=O)ccoc2c1 62a_100000210147_100010062221 [0,2,0,0,0,0|1,1,0]=4 19149 B18R2.583487 CCOCCSc1ccc2c(cccc2c1)N 62a_100000210147_100010090037 [0,2,0,0,0,0|0,1,0]=3 19150 B18R2.583487 CCOCCSc1ccc2c(cccc2c1)N 62a_100010090037_100011215890 [0,2,0,0,0,0|0,1,0]=3 19151 B18R2.583487 CCOCCSc1ccc2c(cccc2c1)O 62a_100000210147_100010202202 [0,2,0,0,0,0|0,1,0]=3 19152 B18R2.583487 CCOCCSc1ccc2c(ccnc2c1)C 62a_100000210147_100010132309 [0,2,0,0,0,0|1,1,0]=4 19153 B18R2.583487 CCOCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100011215890 [0,2,0,0,0,0|1,1,0]=4 19154 B18R2.583487 CCOCCSc1ccc2c(ccnc2c1)Cl 62a_100000210147_100009996786 [0,2,0,0,0,0|1,1,0]=4 19155 B18R2.583487 CCOCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100011215890 [0,2,0,0,0,0|1,1,0]=4 19156 B18R2.583487 CCOCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100011215890 [0,2,0,0,0,0|1,1,0]=4 19157 B18R2.583487 CCOCCSc1ccc2c(ccnc2c1)O 62a_100000210147_100000756855 [0,2,0,0,0,0|1,1,0]=4 19158 B18R2.583487 CCOCCSc1ccc2c(nccc2c1)N 62a_100000210147_100000732483 [0,2,0,0,0,0|1,1,0]=4 19159 B18R2.583487 CCOCCSc1ccc2c(nccc2c1)N 62a_100000732483_100011215890 [0,2,0,0,0,0|1,1,0]=4 19160 B18R2.583487 CCOCCSc1ccc2c(nccc2c1)O 62a_100000210147_100000760485 [0,2,0,0,0,0|1,1,0]=4 19161 B18R2.583487 CCOCCSc1cnc2c(cccc2c1)Br 62a_100000210147_100010204298 [0,2,0,0,0,0|1,1,0]=4 19162 B18R2.583487 CCOCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100011215890 [0,2,0,0,0,0|1,1,0]=4 19163 B18R2.583487 CCOCCSc1cnc2c(cccc2c1)C 62a_100000210147_100009829671 [0,2,0,0,0,0|1,1,0]=4 19164 B18R2.583487 CCOCCSc1cnc2c(cccc2c1)Cl 62a_100000210147_100000759377 [0,2,0,0,0,0|1,1,0]=4 19165 B18R2.583487 CCOCCSc1cnc2c(cccc2c1)F 62a_100000049890_100011215890 [0,2,0,0,0,0|1,1,0]=4 19166 B18R2.583487 CCOCCSc1cnc2c(cccc2c1)F 62a_100000210147_100000049890 [0,2,0,0,0,0|1,1,0]=4 19167 B18R2.583487 CCOCCSc1cnc2c(cccc2c1)N 62a_100000210147_100000702407 [0,2,0,0,0,0|1,1,0]=4 19168 B18R2.583487 CCSCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000757381 [0,2,0,0,0,0|1,0,0]=3 19169 B18R2.583487 CCSCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000757381 [0,2,0,0,0,0|1,0,0]=3 19170 B18R2.583487 CCSCCNc1ccc2c(ccnc2c1)Cl 27a_100000106463_100009996786 [0,2,0,0,0,0|2,0,0]=4 19171 B18R2.583487 CCSCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000757381 [0,2,0,0,0,0|1,0,0]=3 19172 B18R2.583487 CCSCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000757381 [0,2,0,0,0,0|1,0,0]=3 19173 B18R2.583487 CCSCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000757381 [0,2,0,0,0,0|1,0,0]=3 19174 B18R2.583487 CCSCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000757381 [0,2,0,0,0,0|1,0,0]=3 19175 B18R2.583487 CCSCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000757381 [0,2,0,0,0,0|0,0,0]=2 19176 B18R2.583487 CCSCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000757381 [0,2,0,0,0,0|0,0,0]=2 19177 B18R2.583487 CCSCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000757381 [0,2,0,0,0,0|1,0,0]=3 19178 B18R2.583487 CCSCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000757381 [0,2,0,0,0,0|1,0,0]=3 19179 B18R2.583487 CCSCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000757381 [0,2,0,0,0,0|1,0,0]=3 19180 B18R2.583487 CCSCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000757381 [0,2,0,0,0,0|1,0,0]=3 19181 B18R2.583487 CCSCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000757381 [0,2,0,0,0,0|1,0,0]=3 19182 B18R2.583487 CCSCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000757381 [0,2,0,0,0,0|1,0,0]=3 19183 B18R2.583487 CCSCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000757381 [0,2,0,0,0,0|1,0,0]=3 19184 B18R2.583487 CCSCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000757381 [0,2,0,0,0,0|1,0,0]=3 19185 B18R2.583487 CCSCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000757381 [0,2,0,0,0,0|1,0,0]=3 19186 B18R2.583487 CCSCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000757381 [0,2,0,0,0,0|1,0,0]=3 19187 B18R2.583487 CCSCCSc1ccc2c(=O)ccoc2c1 62a_100000757381_100010062221 [0,2,0,0,0,0|1,1,0]=4 19188 B18R2.583487 CCSCCSc1ccc2c(cccc2c1)N 62a_100000757381_100010090037 [0,2,0,0,0,0|0,1,0]=3 19189 B18R2.583487 CCSCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000757381 [0,2,0,0,0,0|0,1,0]=3 19190 B18R2.583487 CCSCCSc1ccc2c(cccc2c1)O 62a_100000757381_100010202202 [0,2,0,0,0,0|0,1,0]=3 19191 B18R2.583487 CCSCCSc1ccc2c(ccnc2c1)C 62a_100000757381_100010132309 [0,2,0,0,0,0|1,1,0]=4 19192 B18R2.583487 CCSCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000757381 [0,2,0,0,0,0|1,1,0]=4 19193 B18R2.583487 CCSCCSc1ccc2c(ccnc2c1)Cl 62a_100000757381_100009996786 [0,2,0,0,0,0|1,1,0]=4 19194 B18R2.583487 CCSCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000757381 [0,2,0,0,0,0|1,1,0]=4 19195 B18R2.583487 CCSCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000757381 [0,2,0,0,0,0|1,1,0]=4 19196 B18R2.583487 CCSCCSc1ccc2c(ccnc2c1)O 62a_100000757381_100000756855 [0,2,0,0,0,0|1,1,0]=4 19197 B18R2.583487 CCSCCSc1ccc2c(nccc2c1)N 62a_100000732483_100000757381 [0,2,0,0,0,0|1,1,0]=4 19198 B18R2.583487 CCSCCSc1ccc2c(nccc2c1)N 62a_100000757381_100000732483 [0,2,0,0,0,0|1,1,0]=4 19199 B18R2.583487 CCSCCSc1ccc2c(nccc2c1)O 62a_100000757381_100000760485 [0,2,0,0,0,0|1,1,0]=4 19200 B18R2.583487 CCSCCSc1cnc2c(cccc2c1)Br 62a_100000757381_100010204298 [0,2,0,0,0,0|1,1,0]=4 19201 B18R2.583487 CCSCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000757381 [0,2,0,0,0,0|1,1,0]=4 19202 B18R2.583487 CCSCCSc1cnc2c(cccc2c1)C 62a_100000757381_100009829671 [0,2,0,0,0,0|1,1,0]=4 19203 B18R2.583487 CCSCCSc1cnc2c(cccc2c1)Cl 62a_100000757381_100000759377 [0,2,0,0,0,0|1,1,0]=4 19204 B18R2.583487 CCSCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000757381 [0,2,0,0,0,0|1,1,0]=4 19205 B18R2.583487 CCSCCSc1cnc2c(cccc2c1)F 62a_100000757381_100000049890 [0,2,0,0,0,0|1,1,0]=4 19206 B18R2.583487 CCSCCSc1cnc2c(cccc2c1)N 62a_100000757381_100000702407 [0,2,0,0,0,0|1,1,0]=4 19207 B18R2.583487 COCCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000740836 [0,2,0,0,0,0|1,0,0]=3 19208 B18R2.583487 COCCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000740836 [0,2,0,0,0,0|1,0,0]=3 19209 B18R2.583487 COCCCNc1ccc2c(ccnc2c1)Cl 27a_100150723488_100009996786 [0,2,0,0,0,0|2,0,0]=4 19210 B18R2.583487 COCCCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000740836 [0,2,0,0,0,0|1,0,0]=3 19211 B18R2.583487 COCCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000740836 [0,2,0,0,0,0|1,0,0]=3 19212 B18R2.583487 COCCCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000740836 [0,2,0,0,0,0|1,0,0]=3 19213 B18R2.583487 COCCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000740836 [0,2,0,0,0,0|1,0,0]=3 19214 B18R2.583487 COCCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000740836 [0,2,0,0,0,0|0,0,0]=2 19215 B18R2.583487 COCCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000740836 [0,2,0,0,0,0|0,0,0]=2 19216 B18R2.583487 COCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000740836 [0,2,0,0,0,0|1,0,0]=3 19217 B18R2.583487 COCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000740836 [0,2,0,0,0,0|1,0,0]=3 19218 B18R2.583487 COCCCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000740836 [0,2,0,0,0,0|1,0,0]=3 19219 B18R2.583487 COCCCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000740836 [0,2,0,0,0,0|1,0,0]=3 19220 B18R2.583487 COCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000740836 [0,2,0,0,0,0|1,0,0]=3 19221 B18R2.583487 COCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000740836 [0,2,0,0,0,0|1,0,0]=3 19222 B18R2.583487 COCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000740836 [0,2,0,0,0,0|1,0,0]=3 19223 B18R2.583487 COCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000740836 [0,2,0,0,0,0|1,0,0]=3 19224 B18R2.583487 COCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000740836 [0,2,0,0,0,0|1,0,0]=3 19225 B18R2.583487 COCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000740836 [0,2,0,0,0,0|1,0,0]=3 19226 B18R2.583487 COCCCSc1ccc2c(=O)ccoc2c1 62a_100000709357_100010062221 [0,2,0,0,0,0|1,1,0]=4 19227 B18R2.583487 COCCCSc1ccc2c(cccc2c1)N 62a_100000709357_100010090037 [0,2,0,0,0,0|0,1,0]=3 19228 B18R2.583487 COCCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000709357 [0,2,0,0,0,0|0,1,0]=3 19229 B18R2.583487 COCCCSc1ccc2c(cccc2c1)O 62a_100000709357_100010202202 [0,2,0,0,0,0|0,1,0]=3 19230 B18R2.583487 COCCCSc1ccc2c(ccnc2c1)C 62a_100000709357_100010132309 [0,2,0,0,0,0|1,1,0]=4 19231 B18R2.583487 COCCCSc1ccc2c(ccnc2c1)C 62a_100010132309_100000709357 [0,2,0,0,0,0|1,1,0]=4 19232 B18R2.583487 COCCCSc1ccc2c(ccnc2c1)Cl 62a_100000709357_100009996786 [0,2,0,0,0,0|1,1,0]=4 19233 B18R2.583487 COCCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000709357 [0,2,0,0,0,0|1,1,0]=4 19234 B18R2.583487 COCCCSc1ccc2c(ccnc2c1)N 62a_200009816820_100000709357 [0,2,0,0,0,0|1,1,0]=4 19235 B18R2.583487 COCCCSc1ccc2c(ccnc2c1)O 62a_100000709357_100000756855 [0,2,0,0,0,0|1,1,0]=4 19236 B18R2.583487 COCCCSc1ccc2c(nccc2c1)N 62a_100000709357_100000732483 [0,2,0,0,0,0|1,1,0]=4 19237 B18R2.583487 COCCCSc1ccc2c(nccc2c1)N 62a_100000732483_100000709357 [0,2,0,0,0,0|1,1,0]=4 19238 B18R2.583487 COCCCSc1ccc2c(nccc2c1)O 62a_100000709357_100000760485 [0,2,0,0,0,0|1,1,0]=4 19239 B18R2.583487 COCCCSc1cnc2c(cccc2c1)Br 62a_100000709357_100010204298 [0,2,0,0,0,0|1,1,0]=4 19240 B18R2.583487 COCCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000709357 [0,2,0,0,0,0|1,1,0]=4 19241 B18R2.583487 COCCCSc1cnc2c(cccc2c1)C 62a_100000709357_100009829671 [0,2,0,0,0,0|1,1,0]=4 19242 B18R2.583487 COCCCSc1cnc2c(cccc2c1)Cl 62a_100000709357_100000759377 [0,2,0,0,0,0|1,1,0]=4 19243 B18R2.583487 COCCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000709357 [0,2,0,0,0,0|1,1,0]=4 19244 B18R2.583487 COCCCSc1cnc2c(cccc2c1)F 62a_100000709357_100000049890 [0,2,0,0,0,0|1,1,0]=4 19245 B18R2.583487 COCCCSc1cnc2c(cccc2c1)N 62a_100000709357_100000702407 [0,2,0,0,0,0|1,1,0]=4 19246 B18R2.583487 CSCCCNc1ccc2c(ccnc2c1)Cl 27a_100000749238_100009996786 [0,2,0,0,0,0|2,0,0]=4 19247 B18R2.583487 Cc1cccc2c1ncc(c2)SCCCCF 62a_100000729493_100009829671 [0,2,0,0,0,0|1,1,0]=4 19248 B18R2.583487 Cc1cccc2c1ncc(c2)SCCCCO 62a_100000210776_100009829671 [0,2,0,0,0,0|1,1,0]=4 19249 B18R2.583487 Cc1ccnc2c1ccc(c2)OCCCC#N 7a_200009854145_100000687738 [0,2,0,0,0,0|1,0,1]=4 19250 B18R2.583487 Cc1ccnc2c1ccc(c2)OCCCC=O 7a_200009854145_200011292268 [0,2,0,0,0,0|1,0,1]=4 19251 B18R2.583487 Cc1ccnc2c1ccc(c2)OCCCCF 34a_200009854145_100000729493 [0,2,0,0,0,0|1,0,0]=3 19252 B18R2.583487 Cc1ccnc2c1ccc(c2)OCCCCF 7a_200009854145_100000729493 [0,2,0,0,0,0|1,0,0]=3 19253 B18R2.583487 Cc1ccnc2c1ccc(c2)OCCCCO 34a_200009854145_100011216708 [0,2,0,0,0,0|1,0,0]=3 19254 B18R2.583487 Cc1ccnc2c1ccc(c2)OCCCCO 7a_200009854145_100000210776 [0,2,0,0,0,0|1,0,0]=3 19255 B18R2.583487 Cc1ccnc2c1ccc(c2)SCCCCF 62a_100000729493_100010132309 [0,2,0,0,0,0|1,1,0]=4 19256 B18R2.583487 Cc1ccnc2c1ccc(c2)SCCCCF 62a_100010132309_100000729493 [0,2,0,0,0,0|1,1,0]=4 19257 B18R2.583487 Cc1ccnc2c1ccc(c2)SCCCCO 62a_100000210776_100010132309 [0,2,0,0,0,0|1,1,0]=4 19258 B18R2.583487 Cc1ccnc2c1ccc(c2)SCCCCO 62a_100010132309_100000210776 [0,2,0,0,0,0|1,1,0]=4 19259 B18R2.583487 FCCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000729493 [0,2,0,0,0,0|1,0,0]=3 19260 B18R2.583487 FCCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000729493 [0,2,0,0,0,0|1,0,0]=3 19261 B18R2.583487 FCCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000729493 [0,2,0,0,0,0|1,0,0]=3 19262 B18R2.583487 FCCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000729493 [0,2,0,0,0,0|1,0,0]=3 19263 B18R2.583487 FCCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000729493 [0,2,0,0,0,0|1,0,0]=3 19264 B18R2.583487 FCCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000729493 [0,2,0,0,0,0|1,0,0]=3 19265 B18R2.583487 FCCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100000729493 [0,2,0,0,0,0|1,0,0]=3 19266 B18R2.583487 FCCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000729493 [0,2,0,0,0,0|1,0,0]=3 19267 B18R2.583487 FCCCCSc1ccc2c(ccnc2c1)Cl 62a_100000729493_100009996786 [0,2,0,0,0,0|1,1,0]=4 19268 B18R2.583487 FCCCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000729493 [0,2,0,0,0,0|1,1,0]=4 19269 B18R2.583487 FCCCCSc1cnc2c(cccc2c1)Br 62a_100000729493_100010204298 [0,2,0,0,0,0|1,1,0]=4 19270 B18R2.583487 FCCCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000729493 [0,2,0,0,0,0|1,1,0]=4 19271 B18R2.583487 FCCCCSc1cnc2c(cccc2c1)Cl 62a_100000729493_100000759377 [0,2,0,0,0,0|1,1,0]=4 19272 B18R2.583487 FCCCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000729493 [0,2,0,0,0,0|1,1,0]=4 19273 B18R2.583487 FCCCCSc1cnc2c(cccc2c1)F 62a_100000729493_100000049890 [0,2,0,0,0,0|1,1,0]=4 19274 B18R2.583487 N#CCCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000687738 [0,2,0,0,0,0|1,0,1]=4 19275 B18R2.583487 N#CCCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000687738 [0,2,0,0,0,0|1,0,1]=4 19276 B18R2.583487 N#CCCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000687738 [0,2,0,0,0,0|1,0,1]=4 19277 B18R2.583487 N#CCCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000687738 [0,2,0,0,0,0|0,0,1]=3 19278 B18R2.583487 N#CCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000687738 [0,2,0,0,0,0|1,0,1]=4 19279 B18R2.583487 N#CCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000687738 [0,2,0,0,0,0|1,0,1]=4 19280 B18R2.583487 N#CCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000687738 [0,2,0,0,0,0|1,0,1]=4 19281 B18R2.583487 N#CCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000687738 [0,2,0,0,0,0|1,0,1]=4 19282 B18R2.583487 N#CCCCSc1ccc2c(cccc2c1)N 62a_100000687738_100010090037 [0,2,0,0,0,0|0,1,1]=4 19283 B18R2.583487 N#CCCCSc1ccc2c(cccc2c1)N 62a_100010090037_100000687738 [0,2,0,0,0,0|0,1,1]=4 19284 B18R2.583487 N#CCCCSc1ccc2c(cccc2c1)O 62a_100000687738_100010202202 [0,2,0,0,0,0|0,1,1]=4 19285 B18R2.583487 Nc1cccc2c1ccc(c2)OCC#CCO 34a_100000034668_200000047223 [0,2,0,0,0,0|0,0,2]=4 19286 B18R2.583487 Nc1cccc2c1ccc(c2)OCC#CCO 7a_100000034668_200000047223 [0,2,0,0,0,0|0,0,2]=4 19287 B18R2.583487 Nc1cccc2c1ccc(c2)OCCCC=O 7a_100000034668_200011292268 [0,2,0,0,0,0|0,0,1]=3 19288 B18R2.583487 Nc1cccc2c1ccc(c2)OCCCCF 34a_100000034668_100000729493 [0,2,0,0,0,0|0,0,0]=2 19289 B18R2.583487 Nc1cccc2c1ccc(c2)OCCCCF 7a_100000034668_100000729493 [0,2,0,0,0,0|0,0,0]=2 19290 B18R2.583487 Nc1cccc2c1ccc(c2)OCCCCO 34a_100000034668_100011216708 [0,2,0,0,0,0|0,0,0]=2 19291 B18R2.583487 Nc1cccc2c1ccc(c2)OCCCCO 7a_100000034668_100000210776 [0,2,0,0,0,0|0,0,0]=2 19292 B18R2.583487 Nc1cccc2c1ccc(c2)SCCCC=O 62a_100010090037_200011292268 [0,2,0,0,0,0|0,1,1]=4 19293 B18R2.583487 Nc1cccc2c1ccc(c2)SCCCC=O 62a_200011292268_100010090037 [0,2,0,0,0,0|0,1,1]=4 19294 B18R2.583487 Nc1cccc2c1ccc(c2)SCCCCF 62a_100000729493_100010090037 [0,2,0,0,0,0|0,1,0]=3 19295 B18R2.583487 Nc1cccc2c1ccc(c2)SCCCCF 62a_100010090037_100000729493 [0,2,0,0,0,0|0,1,0]=3 19296 B18R2.583487 Nc1cccc2c1ccc(c2)SCCCCO 62a_100000210776_100010090037 [0,2,0,0,0,0|0,1,0]=3 19297 B18R2.583487 Nc1cccc2c1ccc(c2)SCCCCO 62a_100010090037_100000210776 [0,2,0,0,0,0|0,1,0]=3 19298 B18R2.583487 Nc1cccc2c1ncc(c2)SCCCCF 62a_100000729493_100000702407 [0,2,0,0,0,0|1,1,0]=4 19299 B18R2.583487 Nc1cccc2c1ncc(c2)SCCCCO 62a_100000210776_100000702407 [0,2,0,0,0,0|1,1,0]=4 19300 B18R2.583487 Nc1ccnc2c1ccc(c2)SCCCCF 62a_200009816820_100000729493 [0,2,0,0,0,0|1,1,0]=4 19301 B18R2.583487 Nc1ccnc2c1ccc(c2)SCCCCO 62a_200009816820_100000210776 [0,2,0,0,0,0|1,1,0]=4 19302 B18R2.583487 Nc1nccc2c1ccc(c2)SCCCCF 62a_100000729493_100000732483 [0,2,0,0,0,0|1,1,0]=4 19303 B18R2.583487 Nc1nccc2c1ccc(c2)SCCCCF 62a_100000732483_100000729493 [0,2,0,0,0,0|1,1,0]=4 19304 B18R2.583487 Nc1nccc2c1ccc(c2)SCCCCO 62a_100000210776_100000732483 [0,2,0,0,0,0|1,1,0]=4 19305 B18R2.583487 Nc1nccc2c1ccc(c2)SCCCCO 62a_100000732483_100000210776 [0,2,0,0,0,0|1,1,0]=4 19306 B18R2.583487 O=CCCCNc1ccc2c(cccc2c1)O 7a_100000035793_200011292268 [0,2,0,0,0,0|1,0,1]=4 19307 B18R2.583487 O=CCCCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200011292268 [0,2,0,0,0,0|1,0,1]=4 19308 B18R2.583487 O=CCCCOc1ccc2c(=O)ccoc2c1 7a_200000065989_200011292268 [0,2,0,0,0,0|1,0,1]=4 19309 B18R2.583487 O=CCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_200011292268 [0,2,0,0,0,0|1,0,1]=4 19310 B18R2.583487 O=CCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_200011292268 [0,2,0,0,0,0|1,0,1]=4 19311 B18R2.583487 O=CCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_200011292268 [0,2,0,0,0,0|1,0,1]=4 19312 B18R2.583487 O=CCCCOc1cnc2c(cccc2c1)F 7a_100012184956_200011292268 [0,2,0,0,0,0|1,0,1]=4 19313 B18R2.583487 O=CCCCSc1ccc2c(cccc2c1)O 62a_200011292268_100010202202 [0,2,0,0,0,0|0,1,1]=4 19314 B18R2.583487 O=c1[nH]ccc2c1ccc(c2)OCCCCF 34a_100009857879_100000729493 [0,2,0,0,0,0|1,0,0]=3 19315 B18R2.583487 O=c1[nH]ccc2c1ccc(c2)OCCCCF 7a_100009857879_100000729493 [0,2,0,0,0,0|1,0,0]=3 19316 B18R2.583487 O=c1[nH]ccc2c1ccc(c2)OCCCCO 34a_100009857879_100011216708 [0,2,0,0,0,0|1,0,0]=3 19317 B18R2.583487 O=c1[nH]ccc2c1ccc(c2)OCCCCO 7a_100009857879_100000210776 [0,2,0,0,0,0|1,0,0]=3 19318 B18R2.583487 O=c1ccoc2c1ccc(c2)OCCCCF 34a_200000065989_100000729493 [0,2,0,0,0,0|1,0,0]=3 19319 B18R2.583487 O=c1ccoc2c1ccc(c2)OCCCCF 7a_200000065989_100000729493 [0,2,0,0,0,0|1,0,0]=3 19320 B18R2.583487 O=c1ccoc2c1ccc(c2)OCCCCO 34a_200000065989_100011216708 [0,2,0,0,0,0|1,0,0]=3 19321 B18R2.583487 O=c1ccoc2c1ccc(c2)OCCCCO 7a_200000065989_100000210776 [0,2,0,0,0,0|1,0,0]=3 19322 B18R2.583487 O=c1ccoc2c1ccc(c2)SCCCCF 62a_100000729493_100010062221 [0,2,0,0,0,0|1,1,0]=4 19323 B18R2.583487 O=c1ccoc2c1ccc(c2)SCCCCO 62a_100000210776_100010062221 [0,2,0,0,0,0|1,1,0]=4 19324 B18R2.583487 OCCCCNc1ccc2c(cccc2c1)O 34a_100000035793_100011216708 [0,2,0,0,0,0|1,0,0]=3 19325 B18R2.583487 OCCCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210776 [0,2,0,0,0,0|1,0,0]=3 19326 B18R2.583487 OCCCCNc1ccc2c(ccnc2c1)Cl 27a_100000750430_100009996786 [0,2,0,0,0,0|2,0,0]=4 19327 B18R2.583487 OCCCCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100011216708 [0,2,0,0,0,0|1,0,0]=3 19328 B18R2.583487 OCCCCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210776 [0,2,0,0,0,0|1,0,0]=3 19329 B18R2.583487 OCCCCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100011216708 [0,2,0,0,0,0|1,0,0]=3 19330 B18R2.583487 OCCCCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210776 [0,2,0,0,0,0|1,0,0]=3 19331 B18R2.583487 OCCCCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100011216708 [0,2,0,0,0,0|1,0,0]=3 19332 B18R2.583487 OCCCCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210776 [0,2,0,0,0,0|1,0,0]=3 19333 B18R2.583487 OCCCCOc1cnc2c(cccc2c1)F 34a_100012184956_100011216708 [0,2,0,0,0,0|1,0,0]=3 19334 B18R2.583487 OCCCCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210776 [0,2,0,0,0,0|1,0,0]=3 19335 B18R2.583487 OCCCCSc1ccc2c(cccc2c1)O 62a_100000210776_100010202202 [0,2,0,0,0,0|0,1,0]=3 19336 B18R2.583487 OCCCCSc1ccc2c(ccnc2c1)Cl 62a_100000210776_100009996786 [0,2,0,0,0,0|1,1,0]=4 19337 B18R2.583487 OCCCCSc1ccc2c(ccnc2c1)Cl 62a_100009996786_100000210776 [0,2,0,0,0,0|1,1,0]=4 19338 B18R2.583487 OCCCCSc1ccc2c(ccnc2c1)O 62a_100000210776_100000756855 [0,2,0,0,0,0|1,1,0]=4 19339 B18R2.583487 OCCCCSc1ccc2c(nccc2c1)O 62a_100000210776_100000760485 [0,2,0,0,0,0|1,1,0]=4 19340 B18R2.583487 OCCCCSc1cnc2c(cccc2c1)Br 62a_100000210776_100010204298 [0,2,0,0,0,0|1,1,0]=4 19341 B18R2.583487 OCCCCSc1cnc2c(cccc2c1)Br 62a_100010204298_100000210776 [0,2,0,0,0,0|1,1,0]=4 19342 B18R2.583487 OCCCCSc1cnc2c(cccc2c1)Cl 62a_100000210776_100000759377 [0,2,0,0,0,0|1,1,0]=4 19343 B18R2.583487 OCCCCSc1cnc2c(cccc2c1)F 62a_100000049890_100000210776 [0,2,0,0,0,0|1,1,0]=4 19344 B18R2.583487 OCCCCSc1cnc2c(cccc2c1)F 62a_100000210776_100000049890 [0,2,0,0,0,0|1,1,0]=4 19345 B18R2.583487 Oc1cccc2c1ccc(c2)NCCCCF 34a_100000035793_100000729493 [0,2,0,0,0,0|1,0,0]=3 19346 B18R2.583487 Oc1cccc2c1ccc(c2)NCCCCF 7a_100000035793_100000729493 [0,2,0,0,0,0|1,0,0]=3 19347 B18R2.583487 Oc1cccc2c1ccc(c2)SCCCCF 62a_100000729493_100010202202 [0,2,0,0,0,0|0,1,0]=3 19348 B18R2.583487 Oc1ccnc2c1ccc(c2)SCCCCF 62a_100000729493_100000756855 [0,2,0,0,0,0|1,1,0]=4 19349 B18R2.583487 Oc1nccc2c1ccc(c2)SCCCCF 62a_100000729493_100000760485 [0,2,0,0,0,0|1,1,0]=4 19350 B18R2.13407 CCCCNc1cc(c2ccccc2n1)OC 27a_100000102301_200010892118 [0,2,0,0,0,0|2,0,0]=4 19351 B18R2.13407 CCCCSc1cc(c2cccnc2c1)OC 62a_100000210211_100010248854 [0,2,0,0,0,0|1,1,0]=4 19352 B18R2.13407 CCCCSc1cc(c2ncccc2c1)OC 62a_100000210211_100010248852 [0,2,0,0,0,0|1,1,0]=4 19353 B18R2.13407 CCCCSc1cc2ccccc2c(n1)OC 62a_100000210211_200000116906 [0,2,0,0,0,0|1,1,0]=4 19354 B18R2.146216 CCCC=Cc1cc(c2cc(ccc2c1)O)F 271570a_100016258520_100010201084 [0,2,0,0,0,0|1,0,1]=4 19355 B18R2.146216 CCCCNc1cc(c2cc(ccc2n1)F)C 27a_100000102301_200000079853 [0,2,0,0,0,0|2,0,0]=4 19356 B18R2.146216 CCCCOc1cc(=O)n2cc(ccc2n1)Br 7a_100016101194_100000210211 [0,2,0,0,0,0|2,0,0]=4 19357 B18R2.146216 CCCCSc1cc(c2[nH]c(=O)ccc2c1)F 62a_100000210211_100012034177 [0,2,0,0,0,0|1,1,0]=4 19358 B18R2.146216 CCCCSc1cc(c2cc(ccc2c1)O)F 62a_100000210211_100010201084 [0,2,0,0,0,0|0,1,0]=3 19359 B18R2.146216 CCCCSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_100000210210 [0,2,0,0,0,0|0,1,0]=3 19360 B18R2.146216 CCCCSc1cc(c2cc(ccc2n1)F)C 62a_100000210211_200000079853 [0,2,0,0,0,0|1,1,0]=4 19361 B18R2.146216 CCCCSc1cc(c2cc(ccc2n1)F)C 62a_200000079853_100000210210 [0,2,0,0,0,0|1,1,0]=4 19362 B18R2.146216 CCOCSc1cc(c2cc(ccc2c1)O)F 62a_100000739092_100010201084 [0,2,0,0,0,0|1,1,0]=4 19363 B18R2.146216 CCOCSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_100000739092 [0,2,0,0,0,0|1,1,0]=4 19364 B18R2.146216 COCCSc1cc(c2cc(ccc2c1)O)F 62a_100000233755_100010201084 [0,2,0,0,0,0|1,1,0]=4 19365 B18R2.146216 COCCSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_100000233755 [0,2,0,0,0,0|1,1,0]=4 19366 B18R2.146216 CSCCSc1cc(c2cc(ccc2c1)O)F 62a_100000212216_100010201084 [0,2,0,0,0,0|1,1,0]=4 19367 B18R2.146216 CSCCSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_100000751147 [0,2,0,0,0,0|1,1,0]=4 19368 B18R2.146216 OCCCSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_100011215043 [0,2,0,0,0,0|1,1,0]=4 19369 B18R2.146216 OCCCSc1cc(c2cc(ccc2c1)O)F 62a_100011215043_100010201084 [0,2,0,0,0,0|1,1,0]=4 19370 B18R2.146216 Oc1ccc2cc(cc(c2c1)F)SCCCF 62a_100010201084_100011934791 [0,2,0,0,0,0|1,1,0]=4 19371 B18R2.146216 Oc1ccc2cc(cc(c2c1)F)SCCCF 62a_100011934791_100010201084 [0,2,0,0,0,0|1,1,0]=4 19372 B18R2.2550281 C#CCCOc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100000688953 [0,2,0,0,0,0|0,0,2]=4 19373 B18R2.2550281 C#CCCOc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100000688953 [0,2,0,0,0,0|0,0,2]=4 19374 B18R2.2550281 CC#CCOc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100000748600 [0,2,0,0,0,0|0,0,2]=4 19375 B18R2.2550281 CC#CCOc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100000748600 [0,2,0,0,0,0|0,0,2]=4 19376 B18R2.2550281 COCCOc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100011201679 [0,2,0,0,0,0|1,0,0]=3 19377 B18R2.2550281 COCCOc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100000233755 [0,2,0,0,0,0|1,0,0]=3 19378 B18R2.2550281 FCCCOc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100011934791 [0,2,0,0,0,0|1,0,0]=3 19379 B18R2.2550281 FCCCOc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100011934791 [0,2,0,0,0,0|1,0,0]=3 19380 B18R2.2550281 N#CCCOc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100000184422 [0,2,0,0,0,0|1,0,1]=4 19381 B18R2.2550281 OCCCOc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_100000230001 [0,2,0,0,0,0|1,0,0]=3 19382 B18R2.2550281 OCCCOc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_100011215043 [0,2,0,0,0,0|1,0,0]=3 19383 B18R2.2550 C#CCCOc1cc2ccccc2cc1C#N 34a_100009851763_100000688953 [0,2,0,0,0,0|0,0,2]=4 19384 B18R2.2550 C#CCCOc1cc2ccccc2cc1C#N 7a_100009851763_100000688953 [0,2,0,0,0,0|0,0,2]=4 19385 B18R2.2550 C#CCCOc1cc2ccccc2cc1OC 34a_200011203880_100000688953 [0,2,0,0,0,0|0,0,2]=4 19386 B18R2.2550 C#CCCOc1cc2ccccc2cc1OC 7a_200011203880_100000688953 [0,2,0,0,0,0|0,0,2]=4 19387 B18R2.2550 C/C=C/COc1cc2ccccc2cc1C#N 34a_100009851763_100102629194 [0,2,0,0,0,0|0,0,2]=4 19388 B18R2.2550 C/C=C/COc1cc2ccccc2cc1C#N 7a_100009851763_100102629194 [0,2,0,0,0,0|0,0,2]=4 19389 B18R2.2550 C/C=C/COc1cc2ccccc2cc1OC 34a_200011203880_100102629194 [0,2,0,0,0,0|0,0,2]=4 19390 B18R2.2550 C/C=C/COc1cc2ccccc2cc1OC 7a_200011203880_100102629194 [0,2,0,0,0,0|0,0,2]=4 19391 B18R2.2550 C=CCCOc1cc2ccccc2cc1C#N 34a_100009851763_100000754431 [0,2,0,0,0,0|0,0,2]=4 19392 B18R2.2550 C=CCCOc1cc2ccccc2cc1C#N 7a_100009851763_100000754431 [0,2,0,0,0,0|0,0,2]=4 19393 B18R2.2550 C=CCCOc1cc2ccccc2cc1OC 34a_200011203880_100000754431 [0,2,0,0,0,0|0,0,2]=4 19394 B18R2.2550 C=CCCOc1cc2ccccc2cc1OC 7a_200011203880_100000754431 [0,2,0,0,0,0|0,0,2]=4 19395 B18R2.2550 CC#CCOc1cc2ccccc2cc1C#N 34a_100009851763_100000748600 [0,2,0,0,0,0|0,0,2]=4 19396 B18R2.2550 CC#CCOc1cc2ccccc2cc1C#N 7a_100009851763_100000748600 [0,2,0,0,0,0|0,0,2]=4 19397 B18R2.2550 CC#CCOc1cc2ccccc2cc1OC 34a_200011203880_100000748600 [0,2,0,0,0,0|0,0,2]=4 19398 B18R2.2550 CC#CCOc1cc2ccccc2cc1OC 7a_200011203880_100000748600 [0,2,0,0,0,0|0,0,2]=4 19399 B18R2.2550 CC=CCOc1cc2ccccc2cc1C#N 34a_100009851763_100000070051 [0,2,0,0,0,0|0,0,2]=4 19400 B18R2.2550 CC=CCOc1cc2ccccc2cc1C#N 7a_100009851763_100000070051 [0,2,0,0,0,0|0,0,2]=4 19401 B18R2.2550 CC=CCOc1cc2ccccc2cc1OC 34a_200011203880_100000070051 [0,2,0,0,0,0|0,0,2]=4 19402 B18R2.2550 CC=CCOc1cc2ccccc2cc1OC 7a_200011203880_100000070051 [0,2,0,0,0,0|0,0,2]=4 19403 B18R2.2550 CCCC=Cc1cc2ccccc2cc1OC 271570a_100016258520_100009817100 [0,2,0,0,0,0|1,0,1]=4 19404 B18R2.2550 CCCCNc1nc2ccccc2cc1C#N 27a_100000102301_100015207123 [0,2,0,0,0,0|2,0,0]=4 19405 B18R2.2550 CCCCNc1nc2ccccc2cc1CC 27a_100000102301_100011829826 [0,2,0,0,0,0|2,0,0]=4 19406 B18R2.2550 CCCCNc1nc2ccccc2cc1CO 27a_100000102301_100000754719 [0,2,0,0,0,0|2,0,0]=4 19407 B18R2.2550 CCCCOc1cc2ccccc2cc1C#N 34a_100009851763_100000210210 [0,2,0,0,0,0|0,0,0]=2 19408 B18R2.2550 CCCCOc1cc2ccccc2cc1C#N 7a_100009851763_100000210211 [0,2,0,0,0,0|0,0,0]=2 19409 B18R2.2550 CCCCOc1cc2ccccc2cc1OC 34a_200011203880_100000210210 [0,2,0,0,0,0|0,0,0]=2 19410 B18R2.2550 CCCCOc1cc2ccccc2cc1OC 7a_200011203880_100000210211 [0,2,0,0,0,0|0,0,0]=2 19411 B18R2.2550 CCCCSc1cc2ccccc2cc1OC 62a_100000210211_100009817100 [0,2,0,0,0,0|0,1,0]=3 19412 B18R2.2550 CCCCSc1cc2ccccc2cc1OC 62a_100009817100_100000210210 [0,2,0,0,0,0|0,1,0]=3 19413 B18R2.2550 CCCCSc1cc2ccccc2nc1OC 62a_100000210211_100009820890 [0,2,0,0,0,0|1,1,0]=4 19414 B18R2.2550 CCCCSc1cc2ccccc2nc1OC 62a_100009820890_100000210210 [0,2,0,0,0,0|1,1,0]=4 19415 B18R2.2550 CCCCSc1cc2cccnc2cc1OC 62a_100000210211_100020706834 [0,2,0,0,0,0|1,1,0]=4 19416 B18R2.2550 CCCCSc1cc2cccnc2cc1OC 62a_100020706834_100000210210 [0,2,0,0,0,0|1,1,0]=4 19417 B18R2.2550 CCCCSc1cc2cnccc2cc1OC 62a_100000210211_100010990640 [0,2,0,0,0,0|1,1,0]=4 19418 B18R2.2550 CCCCSc1cc2cnccc2cc1OC 62a_100010990640_100000210210 [0,2,0,0,0,0|1,1,0]=4 19419 B18R2.2550 CCCCSc1cc2ncccc2cc1OC 62a_100000210211_100011093944 [0,2,0,0,0,0|1,1,0]=4 19420 B18R2.2550 CCCCSc1cc2ncccc2cc1OC 62a_100011093944_100000210210 [0,2,0,0,0,0|1,1,0]=4 19421 B18R2.2550 CCCCSc1nc2ccccc2cc1C#N 62a_100000210211_100015207123 [0,2,0,0,0,0|1,1,0]=4 19422 B18R2.2550 CCCCSc1nc2ccccc2cc1C=O 62a_100000210211_100000183649 [0,2,0,0,0,0|1,1,0]=4 19423 B18R2.2550 CCCCSc1nc2ccccc2cc1CC 62a_100000210211_100011829826 [0,2,0,0,0,0|1,1,0]=4 19424 B18R2.2550 CCCCSc1nc2ccccc2cc1CO 62a_100000210211_100000754719 [0,2,0,0,0,0|1,1,0]=4 19425 B18R2.2550 CCCNCc1cc2ccccc2cc1OC 207a_100020643023_100000118225 [0,2,0,0,0,0|2,0,0]=4 19426 B18R2.2550 CCCNCc1cc2ccccc2cc1OC 270004a_100020643023_100000118225 [0,2,0,0,0,0|2,0,0]=4 19427 B18R2.2550 CCCOCc1cc2ccccc2cc1OC 34a_200000067032_100000210303 [0,2,0,0,0,0|2,0,0]=4 19428 B18R2.2550 CCCOCc1cc2ccccc2cc1OC 7a_200000067032_100000210303 [0,2,0,0,0,0|2,0,0]=4 19429 B18R2.2550 CCOCSc1cc2ccccc2cc1OC 62a_100000739092_100009817100 [0,2,0,0,0,0|1,1,0]=4 19430 B18R2.2550 CCOCSc1cc2ccccc2cc1OC 62a_100009817100_100000739092 [0,2,0,0,0,0|1,1,0]=4 19431 B18R2.2550 COCCOc1cc2ccccc2cc1C#N 34a_100009851763_100011201679 [0,2,0,0,0,0|1,0,0]=3 19432 B18R2.2550 COCCOc1cc2ccccc2cc1C#N 7a_100009851763_100000233755 [0,2,0,0,0,0|1,0,0]=3 19433 B18R2.2550 COCCOc1cc2ccccc2cc1OC 34a_200011203880_100011201679 [0,2,0,0,0,0|1,0,0]=3 19434 B18R2.2550 COCCOc1cc2ccccc2cc1OC 7a_200011203880_100000233755 [0,2,0,0,0,0|1,0,0]=3 19435 B18R2.2550 COCCSc1cc2ccccc2cc1OC 62a_100000233755_100009817100 [0,2,0,0,0,0|1,1,0]=4 19436 B18R2.2550 COCCSc1cc2ccccc2cc1OC 62a_100009817100_100000233755 [0,2,0,0,0,0|1,1,0]=4 19437 B18R2.2550 COc1cc2ccccc2cc1OCCC#N 7a_200011203880_100000184422 [0,2,0,0,0,0|1,0,1]=4 19438 B18R2.2550 COc1cc2ccccc2cc1OCCCF 34a_200011203880_100011934791 [0,2,0,0,0,0|1,0,0]=3 19439 B18R2.2550 COc1cc2ccccc2cc1OCCCF 7a_200011203880_100011934791 [0,2,0,0,0,0|1,0,0]=3 19440 B18R2.2550 COc1cc2ccccc2cc1OCCCO 34a_200011203880_100000230001 [0,2,0,0,0,0|1,0,0]=3 19441 B18R2.2550 COc1cc2ccccc2cc1OCCCO 7a_200011203880_100011215043 [0,2,0,0,0,0|1,0,0]=3 19442 B18R2.2550 COc1cc2ccccc2cc1OCCSC 34a_200011203880_100000212216 [0,2,0,0,0,0|1,0,0]=3 19443 B18R2.2550 COc1cc2ccccc2cc1OCCSC 7a_200011203880_100000212216 [0,2,0,0,0,0|1,0,0]=3 19444 B18R2.2550 COc1cc2ccccc2cc1SCCCF 62a_100009817100_100011934791 [0,2,0,0,0,0|1,1,0]=4 19445 B18R2.2550 COc1cc2ccccc2cc1SCCCF 62a_100011934791_100009817100 [0,2,0,0,0,0|1,1,0]=4 19446 B18R2.2550 COc1cc2ccccc2cc1SCCCO 62a_100009817100_100011215043 [0,2,0,0,0,0|1,1,0]=4 19447 B18R2.2550 COc1cc2ccccc2cc1SCCCO 62a_100011215043_100009817100 [0,2,0,0,0,0|1,1,0]=4 19448 B18R2.2550 COc1cc2ccccc2cc1SCCSC 62a_100000212216_100009817100 [0,2,0,0,0,0|1,1,0]=4 19449 B18R2.2550 COc1cc2ccccc2cc1SCCSC 62a_100009817100_100000751147 [0,2,0,0,0,0|1,1,0]=4 19450 B18R2.2550 CSCCOc1cc2ccccc2cc1C#N 34a_100009851763_100000212216 [0,2,0,0,0,0|1,0,0]=3 19451 B18R2.2550 CSCCOc1cc2ccccc2cc1C#N 7a_100009851763_100000212216 [0,2,0,0,0,0|1,0,0]=3 19452 B18R2.2550 N#CCCOc1cc2ccccc2cc1C#N 7a_100009851763_100000184422 [0,2,0,0,0,0|1,0,1]=4 19453 B18R2.2550 N#Cc1cc2ccccc2cc1OCCCF 34a_100009851763_100011934791 [0,2,0,0,0,0|1,0,0]=3 19454 B18R2.2550 N#Cc1cc2ccccc2cc1OCCCF 7a_100009851763_100011934791 [0,2,0,0,0,0|1,0,0]=3 19455 B18R2.2550 N#Cc1cc2ccccc2cc1OCCCO 34a_100009851763_100000230001 [0,2,0,0,0,0|1,0,0]=3 19456 B18R2.2550 N#Cc1cc2ccccc2cc1OCCCO 7a_100009851763_100011215043 [0,2,0,0,0,0|1,0,0]=3 19457 B18R2.18442 CCCC=Cc1cc2ccc(cc2cc1O)O 271570a_100016258520_100010179872 [0,2,0,0,0,0|1,0,1]=4 19458 B18R2.18442 CCCCSc1cc2ccc(cc2cc1O)O 62a_100000210211_100010179872 [0,2,0,0,0,0|0,1,0]=3 19459 B18R2.18442 CCOCSc1cc2ccc(cc2cc1O)O 62a_100000739092_100010179872 [0,2,0,0,0,0|1,1,0]=4 19460 B18R2.18442 COCCSc1cc2ccc(cc2cc1O)O 62a_100000233755_100010179872 [0,2,0,0,0,0|1,1,0]=4 19461 B18R2.18442 CSCCSc1cc2ccc(cc2cc1O)O 62a_100000212216_100010179872 [0,2,0,0,0,0|1,1,0]=4 19462 B18R2.18442 OCCCSc1cc2ccc(cc2cc1O)O 62a_100011215043_100010179872 [0,2,0,0,0,0|1,1,0]=4 19463 B18R2.18442 Oc1ccc2cc(c(cc2c1)O)SCCCF 62a_100011934791_100010179872 [0,2,0,0,0,0|1,1,0]=4 19464 B18R2.122271 C#CCCOc1ccc2cc(ccc2c1)C#N 34a_100000035450_100000688953 [0,2,0,0,0,0|0,0,2]=4 19465 B18R2.122271 C#CCCOc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000688953 [0,2,0,0,0,0|0,0,2]=4 19466 B18R2.122271 C#CCCOc1ccc2cc(ccc2c1)C=C 34a_200010676335_100000688953 [0,2,0,0,0,0|0,0,2]=4 19467 B18R2.122271 C#CCCOc1ccc2cc(ccc2c1)C=C 7a_200010676335_100000688953 [0,2,0,0,0,0|0,0,2]=4 19468 B18R2.122271 C#CCCOc1ccc2cc(ccc2c1)CC 34a_200000085364_100000688953 [0,2,0,0,0,0|0,0,2]=4 19469 B18R2.122271 C#CCCOc1ccc2cc(ccc2c1)CC 7a_200000085364_100000688953 [0,2,0,0,0,0|0,0,2]=4 19470 B18R2.122271 C#CCCOc1ccc2cc(ccc2c1)CN 34a_200000083168_100000688953 [0,2,0,0,0,0|0,0,2]=4 19471 B18R2.122271 C#CCCOc1ccc2cc(ccc2c1)OC 34a_100000039947_100000688953 [0,2,0,0,0,0|0,0,2]=4 19472 B18R2.122271 C#CCCOc1ccc2cc(ccc2c1)OC 7a_100000039947_100000688953 [0,2,0,0,0,0|0,0,2]=4 19473 B18R2.122271 C/C=C/COc1ccc2cc(ccc2c1)C#N 34a_100000035450_100102629194 [0,2,0,0,0,0|0,0,2]=4 19474 B18R2.122271 C/C=C/COc1ccc2cc(ccc2c1)C#N 7a_100000035450_100102629194 [0,2,0,0,0,0|0,0,2]=4 19475 B18R2.122271 C/C=C/COc1ccc2cc(ccc2c1)CC 34a_200000085364_100102629194 [0,2,0,0,0,0|0,0,2]=4 19476 B18R2.122271 C/C=C/COc1ccc2cc(ccc2c1)CC 7a_200000085364_100102629194 [0,2,0,0,0,0|0,0,2]=4 19477 B18R2.122271 C/C=C/COc1ccc2cc(ccc2c1)CN 34a_200000083168_100102629194 [0,2,0,0,0,0|0,0,2]=4 19478 B18R2.122271 C/C=C/COc1ccc2cc(ccc2c1)OC 34a_100000039947_100102629194 [0,2,0,0,0,0|0,0,2]=4 19479 B18R2.122271 C/C=C/COc1ccc2cc(ccc2c1)OC 7a_100000039947_100102629194 [0,2,0,0,0,0|0,0,2]=4 19480 B18R2.122271 C=CCCOc1ccc2cc(ccc2c1)C#N 34a_100000035450_100000754431 [0,2,0,0,0,0|0,0,2]=4 19481 B18R2.122271 C=CCCOc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000754431 [0,2,0,0,0,0|0,0,2]=4 19482 B18R2.122271 C=CCCOc1ccc2cc(ccc2c1)C=C 34a_200010676335_100000754431 [0,2,0,0,0,0|0,0,2]=4 19483 B18R2.122271 C=CCCOc1ccc2cc(ccc2c1)C=C 7a_200010676335_100000754431 [0,2,0,0,0,0|0,0,2]=4 19484 B18R2.122271 C=CCCOc1ccc2cc(ccc2c1)CC 34a_200000085364_100000754431 [0,2,0,0,0,0|0,0,2]=4 19485 B18R2.122271 C=CCCOc1ccc2cc(ccc2c1)CC 7a_200000085364_100000754431 [0,2,0,0,0,0|0,0,2]=4 19486 B18R2.122271 C=CCCOc1ccc2cc(ccc2c1)CN 34a_200000083168_100000754431 [0,2,0,0,0,0|0,0,2]=4 19487 B18R2.122271 C=CCCOc1ccc2cc(ccc2c1)OC 34a_100000039947_100000754431 [0,2,0,0,0,0|0,0,2]=4 19488 B18R2.122271 C=CCCOc1ccc2cc(ccc2c1)OC 7a_100000039947_100000754431 [0,2,0,0,0,0|0,0,2]=4 19489 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OC/C=C/C 34a_200010676335_100102629194 [0,2,0,0,0,0|0,0,2]=4 19490 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OC/C=C/C 7a_200010676335_100102629194 [0,2,0,0,0,0|0,0,2]=4 19491 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCC#CC 34a_200010676335_100000748600 [0,2,0,0,0,0|0,0,2]=4 19492 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCC#CC 7a_200010676335_100000748600 [0,2,0,0,0,0|0,0,2]=4 19493 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCC=CC 34a_200010676335_100000070051 [0,2,0,0,0,0|0,0,2]=4 19494 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCC=CC 7a_200010676335_100000070051 [0,2,0,0,0,0|0,0,2]=4 19495 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCC#N 7a_200010676335_100000184422 [0,2,0,0,0,0|1,0,1]=4 19496 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCCC 271570a_100011290941_200011205783 [0,2,0,0,0,0|0,0,0]=2 19497 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCCC 34a_200010676335_100000210210 [0,2,0,0,0,0|0,0,0]=2 19498 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCCC 7a_200010676335_100000210211 [0,2,0,0,0,0|0,0,0]=2 19499 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCCF 34a_200010676335_100011934791 [0,2,0,0,0,0|1,0,0]=3 19500 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCCF 7a_200010676335_100011934791 [0,2,0,0,0,0|1,0,0]=3 19501 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCCO 34a_200010676335_100000230001 [0,2,0,0,0,0|1,0,0]=3 19502 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCCO 7a_200010676335_100011215043 [0,2,0,0,0,0|1,0,0]=3 19503 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCOC 34a_200010676335_100011201679 [0,2,0,0,0,0|1,0,0]=3 19504 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCOC 7a_200010676335_100000233755 [0,2,0,0,0,0|1,0,0]=3 19505 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCSC 34a_200010676335_100000212216 [0,2,0,0,0,0|1,0,0]=3 19506 B18R2.122271 C=Cc1ccc2cc(ccc2c1)OCCSC 7a_200010676335_100000212216 [0,2,0,0,0,0|1,0,0]=3 19507 B18R2.122271 CC#CCOc1ccc2cc(ccc2c1)C#N 34a_100000035450_100000748600 [0,2,0,0,0,0|0,0,2]=4 19508 B18R2.122271 CC#CCOc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000748600 [0,2,0,0,0,0|0,0,2]=4 19509 B18R2.122271 CC#CCOc1ccc2cc(ccc2c1)CC 34a_200000085364_100000748600 [0,2,0,0,0,0|0,0,2]=4 19510 B18R2.122271 CC#CCOc1ccc2cc(ccc2c1)CC 7a_200000085364_100000748600 [0,2,0,0,0,0|0,0,2]=4 19511 B18R2.122271 CC#CCOc1ccc2cc(ccc2c1)CN 34a_200000083168_100000748600 [0,2,0,0,0,0|0,0,2]=4 19512 B18R2.122271 CC#CCOc1ccc2cc(ccc2c1)OC 34a_100000039947_100000748600 [0,2,0,0,0,0|0,0,2]=4 19513 B18R2.122271 CC#CCOc1ccc2cc(ccc2c1)OC 7a_100000039947_100000748600 [0,2,0,0,0,0|0,0,2]=4 19514 B18R2.122271 CC=CCOc1ccc2cc(ccc2c1)C#N 34a_100000035450_100000070051 [0,2,0,0,0,0|0,0,2]=4 19515 B18R2.122271 CC=CCOc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000070051 [0,2,0,0,0,0|0,0,2]=4 19516 B18R2.122271 CC=CCOc1ccc2cc(ccc2c1)CC 34a_200000085364_100000070051 [0,2,0,0,0,0|0,0,2]=4 19517 B18R2.122271 CC=CCOc1ccc2cc(ccc2c1)CC 7a_200000085364_100000070051 [0,2,0,0,0,0|0,0,2]=4 19518 B18R2.122271 CC=CCOc1ccc2cc(ccc2c1)CN 34a_200000083168_100000070051 [0,2,0,0,0,0|0,0,2]=4 19519 B18R2.122271 CC=CCOc1ccc2cc(ccc2c1)OC 34a_100000039947_100000070051 [0,2,0,0,0,0|0,0,2]=4 19520 B18R2.122271 CC=CCOc1ccc2cc(ccc2c1)OC 7a_100000039947_100000070051 [0,2,0,0,0,0|0,0,2]=4 19521 B18R2.122271 CCCC=Cc1ccc2cc(ccc2c1)C=O 271570a_100016258520_100012356508 [0,2,0,0,0,0|1,0,1]=4 19522 B18R2.122271 CCCC=Cc1ccc2cc(ccc2c1)CO 271570a_100016258520_100012356509 [0,2,0,0,0,0|1,0,1]=4 19523 B18R2.122271 CCCC=Cc1ccc2cc(ccc2c1)OC 271570a_100016258520_100000170439 [0,2,0,0,0,0|1,0,1]=4 19524 B18R2.122271 CCCCNc1ccc2cc(ccc2n1)C#N 27a_100000102301_100000091635 [0,2,0,0,0,0|2,0,0]=4 19525 B18R2.122271 CCCCNc1ccc2cc(ccc2n1)OC 27a_100000102301_100000743015 [0,2,0,0,0,0|2,0,0]=4 19526 B18R2.122271 CCCCNc1ccc2cc(cnc2c1)C#N 27a_100000102301_100010751502 [0,2,0,0,0,0|2,0,0]=4 19527 B18R2.122271 CCCCOc1ccc2cc(ccc2c1)C#N 34a_100000035450_100000210210 [0,2,0,0,0,0|0,0,0]=2 19528 B18R2.122271 CCCCOc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000210211 [0,2,0,0,0,0|0,0,0]=2 19529 B18R2.122271 CCCCOc1ccc2cc(ccc2c1)CC 34a_200000085364_100000210210 [0,2,0,0,0,0|0,0,0]=2 19530 B18R2.122271 CCCCOc1ccc2cc(ccc2c1)CC 7a_200000085364_100000210211 [0,2,0,0,0,0|0,0,0]=2 19531 B18R2.122271 CCCCOc1ccc2cc(ccc2c1)CN 34a_200000083168_100000210210 [0,2,0,0,0,0|0,0,0]=2 19532 B18R2.122271 CCCCOc1ccc2cc(ccc2c1)OC 34a_100000039947_100000210210 [0,2,0,0,0,0|0,0,0]=2 19533 B18R2.122271 CCCCOc1ccc2cc(ccc2c1)OC 7a_100000039947_100000210211 [0,2,0,0,0,0|0,0,0]=2 19534 B18R2.122271 CCCCOc1ccc2cc(ccc2c1)SC 62a_200000210301_200011205783 [0,2,0,0,0,0|0,0,0]=2 19535 B18R2.122271 CCCCOc1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_200011205783 [0,2,0,0,0,0|0,0,0]=2 19536 B18R2.122271 CCCCSc1ccc2cc(ccc2c1)C=O 62a_100000210211_100012356508 [0,2,0,0,0,0|0,1,0]=3 19537 B18R2.122271 CCCCSc1ccc2cc(ccc2c1)C=O 62a_100012356508_100000210210 [0,2,0,0,0,0|0,1,0]=3 19538 B18R2.122271 CCCCSc1ccc2cc(ccc2c1)CO 62a_100000210211_100012356509 [0,2,0,0,0,0|0,1,0]=3 19539 B18R2.122271 CCCCSc1ccc2cc(ccc2c1)CO 62a_100012356509_100000210210 [0,2,0,0,0,0|0,1,0]=3 19540 B18R2.122271 CCCCSc1ccc2cc(ccc2c1)OC 62a_100000210211_100000170439 [0,2,0,0,0,0|0,1,0]=3 19541 B18R2.122271 CCCCSc1ccc2cc(ccc2n1)C#N 62a_100000210211_100000091635 [0,2,0,0,0,0|1,1,0]=4 19542 B18R2.122271 CCCCSc1ccc2cc(ccc2n1)C=O 62a_100000210211_100000087602 [0,2,0,0,0,0|1,1,0]=4 19543 B18R2.122271 CCCCSc1ccc2cc(ccc2n1)OC 62a_100000210211_100000743015 [0,2,0,0,0,0|1,1,0]=4 19544 B18R2.122271 CCCCSc1ccc2cc(cnc2c1)C#N 62a_100000210211_100010751502 [0,2,0,0,0,0|1,1,0]=4 19545 B18R2.122271 CCCCSc1ccc2nc(ccc2c1)C#N 62a_100000210211_200012353941 [0,2,0,0,0,0|1,1,0]=4 19546 B18R2.122271 CCCCSc1ccc2nc(ccc2c1)NC 62a_200012034361_100000210210 [0,2,0,0,0,0|1,1,0]=4 19547 B18R2.122271 CCCCSc1ccc2nc(ccc2c1)OC 62a_100000210211_100009817092 [0,2,0,0,0,0|1,1,0]=4 19548 B18R2.122271 CCCCSc1ccc2nc(ccc2c1)OC 62a_100009817092_100000210210 [0,2,0,0,0,0|1,1,0]=4 19549 B18R2.122271 CCCCSc1cnc2cc(ccc2c1)C=O 62a_100000210211_100010114372 [0,2,0,0,0,0|1,1,0]=4 19550 B18R2.122271 CCCCSc1cnc2cc(ccc2c1)C=O 62a_100010114372_100000210210 [0,2,0,0,0,0|1,1,0]=4 19551 B18R2.122271 CCCNCc1ccc2cc(ccc2c1)OC 207a_100020643023_100000211743 [0,2,0,0,0,0|2,0,0]=4 19552 B18R2.122271 CCCNCc1ccc2cc(ccc2c1)OC 270004a_100020643023_100000211743 [0,2,0,0,0,0|2,0,0]=4 19553 B18R2.122271 CCCOCc1ccc2cc(ccc2c1)OC 34a_100000246284_100000210303 [0,2,0,0,0,0|2,0,0]=4 19554 B18R2.122271 CCCOCc1ccc2cc(ccc2c1)OC 7a_100000246284_100000210303 [0,2,0,0,0,0|2,0,0]=4 19555 B18R2.122271 CCOCSc1ccc2cc(ccc2c1)C=O 62a_100000739092_100012356508 [0,2,0,0,0,0|1,1,0]=4 19556 B18R2.122271 CCOCSc1ccc2cc(ccc2c1)C=O 62a_100012356508_100000739092 [0,2,0,0,0,0|1,1,0]=4 19557 B18R2.122271 CCOCSc1ccc2cc(ccc2c1)CO 62a_100000739092_100012356509 [0,2,0,0,0,0|1,1,0]=4 19558 B18R2.122271 CCOCSc1ccc2cc(ccc2c1)CO 62a_100012356509_100000739092 [0,2,0,0,0,0|1,1,0]=4 19559 B18R2.122271 CCOCSc1ccc2cc(ccc2c1)OC 62a_100000739092_100000170439 [0,2,0,0,0,0|1,1,0]=4 19560 B18R2.122271 CCc1ccc2cc(ccc2c1)OCCC#N 7a_200000085364_100000184422 [0,2,0,0,0,0|1,0,1]=4 19561 B18R2.122271 CCc1ccc2cc(ccc2c1)OCCCF 34a_200000085364_100011934791 [0,2,0,0,0,0|1,0,0]=3 19562 B18R2.122271 CCc1ccc2cc(ccc2c1)OCCCF 7a_200000085364_100011934791 [0,2,0,0,0,0|1,0,0]=3 19563 B18R2.122271 CCc1ccc2cc(ccc2c1)OCCCO 34a_200000085364_100000230001 [0,2,0,0,0,0|1,0,0]=3 19564 B18R2.122271 CCc1ccc2cc(ccc2c1)OCCCO 7a_200000085364_100011215043 [0,2,0,0,0,0|1,0,0]=3 19565 B18R2.122271 CCc1ccc2cc(ccc2c1)OCCOC 34a_200000085364_100011201679 [0,2,0,0,0,0|1,0,0]=3 19566 B18R2.122271 CCc1ccc2cc(ccc2c1)OCCOC 7a_200000085364_100000233755 [0,2,0,0,0,0|1,0,0]=3 19567 B18R2.122271 CCc1ccc2cc(ccc2c1)OCCSC 34a_200000085364_100000212216 [0,2,0,0,0,0|1,0,0]=3 19568 B18R2.122271 CCc1ccc2cc(ccc2c1)OCCSC 7a_200000085364_100000212216 [0,2,0,0,0,0|1,0,0]=3 19569 B18R2.122271 COCCOc1ccc2cc(ccc2c1)C#N 34a_100000035450_100011201679 [0,2,0,0,0,0|1,0,0]=3 19570 B18R2.122271 COCCOc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000233755 [0,2,0,0,0,0|1,0,0]=3 19571 B18R2.122271 COCCOc1ccc2cc(ccc2c1)CN 34a_200000083168_100011201679 [0,2,0,0,0,0|1,0,0]=3 19572 B18R2.122271 COCCOc1ccc2cc(ccc2c1)OC 34a_100000039947_100011201679 [0,2,0,0,0,0|1,0,0]=3 19573 B18R2.122271 COCCOc1ccc2cc(ccc2c1)OC 7a_100000039947_100000233755 [0,2,0,0,0,0|1,0,0]=3 19574 B18R2.122271 COCCSc1ccc2cc(ccc2c1)C=O 62a_100000233755_100012356508 [0,2,0,0,0,0|1,1,0]=4 19575 B18R2.122271 COCCSc1ccc2cc(ccc2c1)C=O 62a_100012356508_100000233755 [0,2,0,0,0,0|1,1,0]=4 19576 B18R2.122271 COCCSc1ccc2cc(ccc2c1)CO 62a_100000233755_100012356509 [0,2,0,0,0,0|1,1,0]=4 19577 B18R2.122271 COCCSc1ccc2cc(ccc2c1)CO 62a_100012356509_100000233755 [0,2,0,0,0,0|1,1,0]=4 19578 B18R2.122271 COCCSc1ccc2cc(ccc2c1)OC 62a_100000233755_100000170439 [0,2,0,0,0,0|1,1,0]=4 19579 B18R2.122271 COc1ccc2cc(ccc2c1)OCCC#N 7a_100000039947_100000184422 [0,2,0,0,0,0|1,0,1]=4 19580 B18R2.122271 COc1ccc2cc(ccc2c1)OCCCF 34a_100000039947_100011934791 [0,2,0,0,0,0|1,0,0]=3 19581 B18R2.122271 COc1ccc2cc(ccc2c1)OCCCF 7a_100000039947_100011934791 [0,2,0,0,0,0|1,0,0]=3 19582 B18R2.122271 COc1ccc2cc(ccc2c1)OCCCO 34a_100000039947_100000230001 [0,2,0,0,0,0|1,0,0]=3 19583 B18R2.122271 COc1ccc2cc(ccc2c1)OCCCO 7a_100000039947_100011215043 [0,2,0,0,0,0|1,0,0]=3 19584 B18R2.122271 COc1ccc2cc(ccc2c1)OCCSC 34a_100000039947_100000212216 [0,2,0,0,0,0|1,0,0]=3 19585 B18R2.122271 COc1ccc2cc(ccc2c1)OCCSC 7a_100000039947_100000212216 [0,2,0,0,0,0|1,0,0]=3 19586 B18R2.122271 COc1ccc2cc(ccc2c1)SCCCF 62a_100011934791_100000170439 [0,2,0,0,0,0|1,1,0]=4 19587 B18R2.122271 COc1ccc2cc(ccc2c1)SCCCO 62a_100011215043_100000170439 [0,2,0,0,0,0|1,1,0]=4 19588 B18R2.122271 COc1ccc2cc(ccc2c1)SCCSC 62a_100000212216_100000170439 [0,2,0,0,0,0|1,1,0]=4 19589 B18R2.122271 CSCCOc1ccc2cc(ccc2c1)C#N 34a_100000035450_100000212216 [0,2,0,0,0,0|1,0,0]=3 19590 B18R2.122271 CSCCOc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000212216 [0,2,0,0,0,0|1,0,0]=3 19591 B18R2.122271 CSCCOc1ccc2cc(ccc2c1)CN 34a_200000083168_100000212216 [0,2,0,0,0,0|1,0,0]=3 19592 B18R2.122271 CSCCSc1ccc2cc(ccc2c1)C=O 62a_100000212216_100012356508 [0,2,0,0,0,0|1,1,0]=4 19593 B18R2.122271 CSCCSc1ccc2cc(ccc2c1)C=O 62a_100012356508_100000751147 [0,2,0,0,0,0|1,1,0]=4 19594 B18R2.122271 CSCCSc1ccc2cc(ccc2c1)CO 62a_100000212216_100012356509 [0,2,0,0,0,0|1,1,0]=4 19595 B18R2.122271 CSCCSc1ccc2cc(ccc2c1)CO 62a_100012356509_100000751147 [0,2,0,0,0,0|1,1,0]=4 19596 B18R2.122271 N#CCCOc1ccc2cc(ccc2c1)C#N 7a_100000035450_100000184422 [0,2,0,0,0,0|1,0,1]=4 19597 B18R2.122271 N#Cc1ccc2cc(ccc2c1)OCCCF 34a_100000035450_100011934791 [0,2,0,0,0,0|1,0,0]=3 19598 B18R2.122271 N#Cc1ccc2cc(ccc2c1)OCCCF 7a_100000035450_100011934791 [0,2,0,0,0,0|1,0,0]=3 19599 B18R2.122271 N#Cc1ccc2cc(ccc2c1)OCCCO 34a_100000035450_100000230001 [0,2,0,0,0,0|1,0,0]=3 19600 B18R2.122271 N#Cc1ccc2cc(ccc2c1)OCCCO 7a_100000035450_100011215043 [0,2,0,0,0,0|1,0,0]=3 19601 B18R2.122271 NCc1ccc2cc(ccc2c1)OCCCF 34a_200000083168_100011934791 [0,2,0,0,0,0|1,0,0]=3 19602 B18R2.122271 NCc1ccc2cc(ccc2c1)OCCCO 34a_200000083168_100000230001 [0,2,0,0,0,0|1,0,0]=3 19603 B18R2.122271 O=Cc1ccc2cc(ccc2c1)SCCCF 62a_100011934791_100012356508 [0,2,0,0,0,0|1,1,0]=4 19604 B18R2.122271 O=Cc1ccc2cc(ccc2c1)SCCCF 62a_100012356508_100011934791 [0,2,0,0,0,0|1,1,0]=4 19605 B18R2.122271 O=Cc1ccc2cc(ccc2c1)SCCCO 62a_100011215043_100012356508 [0,2,0,0,0,0|1,1,0]=4 19606 B18R2.122271 O=Cc1ccc2cc(ccc2c1)SCCCO 62a_100012356508_100011215043 [0,2,0,0,0,0|1,1,0]=4 19607 B18R2.122271 OCCCSc1ccc2cc(ccc2c1)CO 62a_100011215043_100012356509 [0,2,0,0,0,0|1,1,0]=4 19608 B18R2.122271 OCCCSc1ccc2cc(ccc2c1)CO 62a_100012356509_100011215043 [0,2,0,0,0,0|1,1,0]=4 19609 B18R2.122271 OCc1ccc2cc(ccc2c1)SCCCF 62a_100011934791_100012356509 [0,2,0,0,0,0|1,1,0]=4 19610 B18R2.122271 OCc1ccc2cc(ccc2c1)SCCCF 62a_100012356509_100011934791 [0,2,0,0,0,0|1,1,0]=4 19611 B18R2.2553503 CCCC=Cc1ccc2c(c(ccc2c1)O)F 271570a_100016258520_100010730138 [0,2,0,0,0,0|1,0,1]=4 19612 B18R2.2553503 CCCC=Cc1ccc2c(c1)C=CC(=O)C2=O 271570a_100016258520_100009812793 [0,2,0,0,0,0|1,0,1]=4 19613 B18R2.2553503 CCCCSc1ccc2c(=O)n(ccc2c1)C 62a_100000210211_100010246303 [0,2,0,0,0,0|1,1,0]=4 19614 B18R2.2553503 CCCCSc1ccc2c(=O)n(ccc2c1)C 62a_100010246303_100000210210 [0,2,0,0,0,0|1,1,0]=4 19615 B18R2.2553503 CCCCSc1ccc2c(c(ccc2c1)O)F 62a_100000210211_100010730138 [0,2,0,0,0,0|0,1,0]=3 19616 B18R2.2553503 CCCCSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_100000210210 [0,2,0,0,0,0|0,1,0]=3 19617 B18R2.2553503 CCCCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100000210211_100009812793 [0,2,0,0,0,0|0,1,0]=3 19618 B18R2.2553503 CCCCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_100000210210 [0,2,0,0,0,0|0,1,0]=3 19619 B18R2.2553503 CCOCSc1ccc2c(c(ccc2c1)O)F 62a_100000739092_100010730138 [0,2,0,0,0,0|1,1,0]=4 19620 B18R2.2553503 CCOCSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_100000739092 [0,2,0,0,0,0|1,1,0]=4 19621 B18R2.2553503 CCOCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100000739092_100009812793 [0,2,0,0,0,0|1,1,0]=4 19622 B18R2.2553503 CCOCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_100000739092 [0,2,0,0,0,0|1,1,0]=4 19623 B18R2.2553503 COCCSc1ccc2c(c(ccc2c1)O)F 62a_100000233755_100010730138 [0,2,0,0,0,0|1,1,0]=4 19624 B18R2.2553503 COCCSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_100000233755 [0,2,0,0,0,0|1,1,0]=4 19625 B18R2.2553503 COCCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100000233755_100009812793 [0,2,0,0,0,0|1,1,0]=4 19626 B18R2.2553503 COCCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_100000233755 [0,2,0,0,0,0|1,1,0]=4 19627 B18R2.2553503 CSCCSc1ccc2c(c(ccc2c1)O)F 62a_100000212216_100010730138 [0,2,0,0,0,0|1,1,0]=4 19628 B18R2.2553503 CSCCSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_100000751147 [0,2,0,0,0,0|1,1,0]=4 19629 B18R2.2553503 CSCCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100000212216_100009812793 [0,2,0,0,0,0|1,1,0]=4 19630 B18R2.2553503 CSCCSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_100000751147 [0,2,0,0,0,0|1,1,0]=4 19631 B18R2.2553503 O=C1C=Cc2cc(ccc2C1=O)SCCCF 62a_100009812793_100011934791 [0,2,0,0,0,0|1,1,0]=4 19632 B18R2.2553503 O=C1C=Cc2cc(ccc2C1=O)SCCCF 62a_100011934791_100009812793 [0,2,0,0,0,0|1,1,0]=4 19633 B18R2.2553503 O=C1C=Cc2cc(ccc2C1=O)SCCCO 62a_100009812793_100011215043 [0,2,0,0,0,0|1,1,0]=4 19634 B18R2.2553503 O=C1C=Cc2cc(ccc2C1=O)SCCCO 62a_100011215043_100009812793 [0,2,0,0,0,0|1,1,0]=4 19635 B18R2.2553503 OCCCSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_100011215043 [0,2,0,0,0,0|1,1,0]=4 19636 B18R2.2553503 OCCCSc1ccc2c(c(ccc2c1)O)F 62a_100011215043_100010730138 [0,2,0,0,0,0|1,1,0]=4 19637 B18R2.2553503 Oc1ccc2cc(ccc2c1F)SCCCF 62a_100010730138_100011934791 [0,2,0,0,0,0|1,1,0]=4 19638 B18R2.2553503 Oc1ccc2cc(ccc2c1F)SCCCF 62a_100011934791_100010730138 [0,2,0,0,0,0|1,1,0]=4 19639 B18R2.1819 CCCCNc1ccc2c(cccc2n1)OC 27a_100000102301_100010382897 [0,2,0,0,0,0|2,0,0]=4 19640 B18R2.1819 CCCCSc1ccc2c(ccnc2c1)OC 62a_100000210211_100010204255 [0,2,0,0,0,0|1,1,0]=4 19641 B16R2.296 CC1CCN1C(=O)C=Cc2ccccc2 11a_100000755817_100000210462 [0,0,1,1,0,0|2,0,0]=4 19642 B16R2.2238 O=C(C=Cc1ccccc1)C2CCCC2 1458a_100000210462_100000179811 [0,0,1,1,0,0|2,0,0]=4 19643 B16R2.30013 CCCCc1c(ccc2c1cccc2)Br 271570a_100020621405_100010090040 [0,0,1,1,0,0|2,0,0]=4 19644 B16R2.30013 CCCCc1c(ccc2c1cccc2)C 271570a_100020621405_100000759710 [0,0,1,1,0,0|1,0,1]=4 19645 B16R2.30013 CCCCc1c(ccc2c1cccc2)N 271570a_100020621405_100000705303 [0,0,1,1,0,0|2,0,0]=4 19646 B16R2.30013 CCCCc1c(ccc2c1cccc2)O 271570a_100020621405_100000183829 [0,0,1,1,0,0|2,0,0]=4 19647 B16R2.44148 O=C(C=Cc1ccccc1)CC2CCC2 1458a_100000210462_100000763275 [0,0,1,1,0,0|2,0,0]=4 19648 B16R2.44148 O=C(C=Cc1ccccc1)NC2CCC2 11a_100000749019_100000210462 [0,0,1,1,0,0|2,0,0]=4 19649 B16R2.44148 O=C(C=Cc1ccccc1)NC2CCC2 1626a_100000749019_100000210462 [0,0,1,1,0,0|2,0,0]=4 19650 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CC2 1458a_100000210462_100000694398 [0,0,1,1,0,0|2,0,0]=4 19651 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 11a_100000735609_100000210462 [0,0,1,1,0,0|2,0,0]=4 19652 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 1626a_100000735609_100000210462 [0,0,1,1,0,0|2,0,0]=4 19653 B16R2.71 Brc1ccccc1C=CC2=CCCCC2 271570a_100000069214_100000695589 [0,0,1,1,0,0|2,0,0]=4 19654 B16R2.71 Cc1ccccc1C=CC2=CCCCC2 271570a_100000069214_100000210755 [0,0,1,1,0,0|1,0,1]=4 19655 B16R2.71 Clc1ccccc1C=CC2=CCCCC2 271570a_100000069214_100000764095 [0,0,1,1,0,0|2,0,0]=4 19656 B16R2.71 Fc1ccccc1C=CC2=CCCCC2 271570a_100000069214_100011215700 [0,0,1,1,0,0|2,0,0]=4 19657 B16R2.71 Nc1ccccc1C=CC2=CCCCC2 271570a_100000069214_100000210017 [0,0,1,1,0,0|2,0,0]=4 19658 B16R2.71 Oc1ccccc1C=CC2=CCCCC2 271570a_100000069214_100000739446 [0,0,1,1,0,0|2,0,0]=4 19659 B16R2.963 CCCCc1cccc2c1cccc2F 271570a_100020621405_100009817034 [0,0,1,1,0,0|2,0,0]=4 19660 B16R2.963 CCCCc1cccc2c1cccc2N 271570a_100020621405_100009816864 [0,0,1,1,0,0|2,0,0]=4 19661 B16R2.963 CCCCc1cccc2c1cccc2O 271570a_100020621405_100010003857 [0,0,1,1,0,0|2,0,0]=4 19662 B16R2.7239 C=CCNc1ccc(cc1)OCC2CC2 34a_100000755442_100015514636 [0,0,1,1,0,0|1,0,1]=4 19663 B16R2.7239 C=CCSc1ccc(cc1)OCC2CC2 62a_100000210623_100011316336 [0,0,1,1,0,0|1,0,1]=4 19664 B16R2.7239 C=CCSc1ccc(cc1)OCC2CC2 62a_100011316336_100000210623 [0,0,1,1,0,0|1,0,1]=4 19665 B16R2.7239 O=C/C=C/c1ccc(cc1)SCC2CC2 62a_100000756562_100016291818 [0,0,1,1,0,0|1,1,0]=4 19666 B16R2.7239 O=C/C=C/c1ccc(cc1)SCC2CC2 62a_100016291818_100000742324 [0,0,1,1,0,0|1,1,0]=4 19667 B16R2.11180 O=C/C=C/c1ccc(cc1)SC2CCC2 62a_100016291818_100000749161 [0,0,1,1,0,0|1,1,0]=4 19668 B16R2.7869 C=Cc1ccccc1C=NNCC2CC2 4a_100000736359_200011996377 [0,0,1,1,0,0|2,0,0]=4 19669 B16R2.7890 O=Cc1ccccc1C2=CCCCCC2 271570a_200009888920_100000211189 [0,0,1,1,0,0|2,0,0]=4 19670 B16R2.39924 C=Cc1ccccc1C=NNC2CCC2 4a_100000736358_200011996377 [0,0,1,1,0,0|2,0,0]=4 19671 B16R2.34542 C=CCSc1cccc(c1)OCC2CC2 62a_100000210623_100011316337 [0,0,1,1,0,0|1,0,1]=4 19672 B16R2.34542 C=CCSc1cccc(c1)OCC2CC2 62a_100011316337_100000210623 [0,0,1,1,0,0|1,0,1]=4 19673 B16R2.34545 C=CCSc1cccc(c1)OC2CCC2 62a_100000210623_200010986888 [0,0,1,1,0,0|1,0,1]=4 19674 B16R2.34545 C=CCSc1cccc(c1)OC2CCC2 62a_200010986888_100000210623 [0,0,1,1,0,0|1,0,1]=4 19675 B16R2.50359 C#CCCOc1cccc2c1cccc2 34a_100000210388_100000688953 [0,0,1,1,0,0|0,0,2]=4 19676 B16R2.50359 C#CCCOc1cccc2c1cccc2 7a_100000210388_100000688953 [0,0,1,1,0,0|0,0,2]=4 19677 B16R2.50359 C/C=C/COc1cccc2c1cccc2 34a_100000210388_100102629194 [0,0,1,1,0,0|0,0,2]=4 19678 B16R2.50359 C/C=C/COc1cccc2c1cccc2 7a_100000210388_100102629194 [0,0,1,1,0,0|0,0,2]=4 19679 B16R2.50359 C=CCCOc1cccc2c1cccc2 34a_100000210388_100000754431 [0,0,1,1,0,0|0,0,2]=4 19680 B16R2.50359 C=CCCOc1cccc2c1cccc2 7a_100000210388_100000754431 [0,0,1,1,0,0|0,0,2]=4 19681 B16R2.50359 CC#CCOc1cccc2c1cccc2 34a_100000210388_100000748600 [0,0,1,1,0,0|0,0,2]=4 19682 B16R2.50359 CC#CCOc1cccc2c1cccc2 7a_100000210388_100000748600 [0,0,1,1,0,0|0,0,2]=4 19683 B16R2.50359 CC=CCOc1cccc2c1cccc2 34a_100000210388_100000070051 [0,0,1,1,0,0|0,0,2]=4 19684 B16R2.50359 CC=CCOc1cccc2c1cccc2 7a_100000210388_100000070051 [0,0,1,1,0,0|0,0,2]=4 19685 B16R2.50359 CCCC=Cc1cccc2c1cccc2 271570a_100016258520_100000210605 [0,0,1,1,0,0|1,0,1]=4 19686 B16R2.50359 CCCCNc1cccc2c1cccc2 34a_100000185869_100000210210 [0,0,1,1,0,0|1,0,0]=3 19687 B16R2.50359 CCCCNc1cccc2c1cccn2 27a_100000102301_100011290932 [0,0,1,1,0,0|2,0,0]=4 19688 B16R2.50359 CCCCNc1cccc2c1cccn2 34a_100000183906_100000210210 [0,0,1,1,0,0|2,0,0]=4 19689 B16R2.50359 CCCCNc1cccc2c1nccc2 34a_100000181377_100000210210 [0,0,1,1,0,0|2,0,0]=4 19690 B16R2.50359 CCCCNc1ccnc2c1cccc2 27a_100000102301_100011215880 [0,0,1,1,0,0|2,0,0]=4 19691 B16R2.50359 CCCCNc1nccc2c1cccc2 27a_100000102301_100011934041 [0,0,1,1,0,0|2,0,0]=4 19692 B16R2.50359 CCCCOc1cccc2c1CC=CC2 34a_100000074931_100000210210 [0,0,1,1,0,0|0,0,2]=4 19693 B16R2.50359 CCCCOc1cccc2c1CC=CC2 7a_100000074931_100000210211 [0,0,1,1,0,0|0,0,2]=4 19694 B16R2.50359 CCCCOc1cccc2c1cccc2 34a_100000210388_100000210210 [0,0,1,1,0,0|0,0,0]=2 19695 B16R2.50359 CCCCOc1cccc2c1cccc2 7a_100000210388_100000210211 [0,0,1,1,0,0|0,0,0]=2 19696 B16R2.50359 CCCCOc1cccc2c1cccn2 34a_100011197808_100000210210 [0,0,1,1,0,0|1,0,0]=3 19697 B16R2.50359 CCCCOc1cccc2c1ccnc2 34a_100011218533_100000210210 [0,0,1,1,0,0|1,0,0]=3 19698 B16R2.50359 CCCCOc1cccc2c1cncc2 34a_103624766955_100000210210 [0,0,1,1,0,0|1,0,0]=3 19699 B16R2.50359 CCCCOc1cccc2c1nccc2 34a_100000056035_100000210210 [0,0,1,1,0,0|1,0,0]=3 19700 B16R2.50359 CCCCOc1cccc2c1nccn2 34a_100000077048_100000210210 [0,0,1,1,0,0|2,0,0]=4 19701 B16R2.50359 CCCCOc1cccc2c1ncnc2 34a_200000077003_100000210210 [0,0,1,1,0,0|2,0,0]=4 19702 B16R2.50359 CCCCOc1cncc2c1cccc2 34a_100000066178_100000210210 [0,0,1,1,0,0|1,0,0]=3 19703 B16R2.50359 CCCCOc1cncc2c1cccc2 7a_100000066178_100000210211 [0,0,1,1,0,0|1,0,0]=3 19704 B16R2.50359 CCCCOc1nccc2c1cccc2 34a_102531767632_100000210210 [0,0,1,1,0,0|1,0,0]=3 19705 B16R2.50359 CCCCSc1cccc2c1cccc2 62a_100000210211_100000210605 [0,0,1,1,0,0|0,1,0]=3 19706 B16R2.50359 CCCCSc1cccc2c1cccn2 62a_100000210211_100011290932 [0,0,1,1,0,0|1,1,0]=4 19707 B16R2.50359 CCCCSc1cccc2c1cccn2 62a_100011290932_100000210210 [0,0,1,1,0,0|1,1,0]=4 19708 B16R2.50359 CCCCSc1cccc2c1ccnc2 62a_100000186358_100000210210 [0,0,1,1,0,0|1,1,0]=4 19709 B16R2.50359 CCCCSc1cccc2c1ccnc2 62a_100000210211_100000186358 [0,0,1,1,0,0|1,1,0]=4 19710 B16R2.50359 CCCCSc1cccc2c1cncc2 62a_100000210211_100000685578 [0,0,1,1,0,0|1,1,0]=4 19711 B16R2.50359 CCCCSc1cccc2c1cncc2 62a_100000685578_100000210210 [0,0,1,1,0,0|1,1,0]=4 19712 B16R2.50359 CCCCSc1cccc2c1nccc2 62a_100000210211_100011215545 [0,0,1,1,0,0|1,1,0]=4 19713 B16R2.50359 CCCCSc1ccnc2c1cccc2 62a_100000210211_100011215880 [0,0,1,1,0,0|1,1,0]=4 19714 B16R2.50359 CCCCSc1ccnc2c1cccc2 62a_100011458314_100000210210 [0,0,1,1,0,0|1,1,0]=4 19715 B16R2.50359 CCCCSc1cncc2c1cccc2 62a_100000187577_100000210210 [0,0,1,1,0,0|1,1,0]=4 19716 B16R2.50359 CCCCSc1cncc2c1cccc2 62a_100000210211_100000187577 [0,0,1,1,0,0|1,1,0]=4 19717 B16R2.50359 CCCCSc1nccc2c1cccc2 62a_100000210211_100011934041 [0,0,1,1,0,0|1,1,0]=4 19718 B16R2.50359 CCCCSc1nccc2c1cccc2 62a_100011934041_100000210210 [0,0,1,1,0,0|1,1,0]=4 19719 B16R2.50359 CCCNCc1cccc2c1cccc2 207a_100020643023_100000210074 [0,0,1,1,0,0|2,0,0]=4 19720 B16R2.50359 CCCNCc1cccc2c1cccc2 270004a_100020643023_100000210074 [0,0,1,1,0,0|2,0,0]=4 19721 B16R2.50359 CCCNCc1cccc2c1cccc2 34a_100000753325_100000210303 [0,0,1,1,0,0|2,0,0]=4 19722 B16R2.50359 CCCOCc1cccc2c1cccc2 34a_100000210258_100011261445 [0,0,1,1,0,0|2,0,0]=4 19723 B16R2.50359 CCCOCc1cccc2c1cccc2 34a_100011216843_100000210303 [0,0,1,1,0,0|2,0,0]=4 19724 B16R2.50359 CCCOCc1cccc2c1cccc2 7a_100011216843_100000210303 [0,0,1,1,0,0|2,0,0]=4 19725 B16R2.50359 CCCSCc1cccc2c1cccc2 62a_100000210303_100000188474 [0,0,1,1,0,0|2,0,0]=4 19726 B16R2.50359 CCCSCc1cccc2c1cccc2 62a_100011261445_100000210303 [0,0,1,1,0,0|2,0,0]=4 19727 B16R2.50359 CCNCCc1cccc2c1cccc2 2230a_100000751862_100000210202 [0,0,1,1,0,0|2,0,0]=4 19728 B16R2.50359 CCNCCc1cccc2c1cccc2 2230a_100015525214_100011290781 [0,0,1,1,0,0|2,0,0]=4 19729 B16R2.50359 CCNCCc1cccc2c1cccc2 34a_100000751862_100000210202 [0,0,1,1,0,0|2,0,0]=4 19730 B16R2.50359 CCOCCc1cccc2c1cccc2 34a_100011219628_100000210202 [0,0,1,1,0,0|2,0,0]=4 19731 B16R2.50359 CCOCCc1cccc2c1cccc2 34a_100121572206_100011290781 [0,0,1,1,0,0|2,0,0]=4 19732 B16R2.50359 CCOCCc1cccc2c1cccc2 7a_100011219628_100000210202 [0,0,1,1,0,0|2,0,0]=4 19733 B16R2.50359 CCOCSc1cccc2c1cccc2 62a_100000739092_100000210605 [0,0,1,1,0,0|1,1,0]=4 19734 B16R2.50359 CCSCCc1cccc2c1cccc2 62a_100000210202_100011290781 [0,0,1,1,0,0|2,0,0]=4 19735 B16R2.50359 CCSCCc1cccc2c1cccc2 62a_100011290781_100000210202 [0,0,1,1,0,0|2,0,0]=4 19736 B16R2.50359 CNCCOc1cccc2c1cccc2 2230a_100000742599_200000210301 [0,0,1,1,0,0|1,0,0]=3 19737 B16R2.50359 CNCCOc1cccc2c1cccc2 2230a_106832991635_100000745918 [0,0,1,1,0,0|1,0,0]=3 19738 B16R2.50359 CNCCOc1cccc2c1cccc2 34a_100000742599_200000210301 [0,0,1,1,0,0|1,0,0]=3 19739 B16R2.50359 CNCCOc1cccc2c1cccc2 34a_100102657272_100000745918 [0,0,1,1,0,0|1,0,0]=3 19740 B16R2.50359 CNCCOc1cccc2c1cccc2 7a_106832991635_100000745918 [0,0,1,1,0,0|1,0,0]=3 19741 B16R2.50359 COCCNc1cccc2c1cccc2 34a_100000185869_100011201679 [0,0,1,1,0,0|2,0,0]=4 19742 B16R2.50359 COCCOc1cccc2c1cccc2 34a_100000210388_100011201679 [0,0,1,1,0,0|1,0,0]=3 19743 B16R2.50359 COCCOc1cccc2c1cccc2 34a_100138415774_100000745918 [0,0,1,1,0,0|1,0,0]=3 19744 B16R2.50359 COCCOc1cccc2c1cccc2 34a_200011305859_200000210301 [0,0,1,1,0,0|1,0,0]=3 19745 B16R2.50359 COCCOc1cccc2c1cccc2 7a_100000210388_100000233755 [0,0,1,1,0,0|1,0,0]=3 19746 B16R2.50359 COCCOc1cccc2c1cccc2 7a_200011305859_200000210301 [0,0,1,1,0,0|1,0,0]=3 19747 B16R2.50359 COCCOc1cccc2c1cccn2 34a_100011197808_100011201679 [0,0,1,1,0,0|2,0,0]=4 19748 B16R2.50359 COCCOc1cccc2c1ccnc2 34a_100011218533_100011201679 [0,0,1,1,0,0|2,0,0]=4 19749 B16R2.50359 COCCOc1cccc2c1cncc2 34a_103624766955_100011201679 [0,0,1,1,0,0|2,0,0]=4 19750 B16R2.50359 COCCOc1cccc2c1nccc2 34a_100000056035_100011201679 [0,0,1,1,0,0|2,0,0]=4 19751 B16R2.50359 COCCOc1cncc2c1cccc2 34a_100000066178_100011201679 [0,0,1,1,0,0|2,0,0]=4 19752 B16R2.50359 COCCOc1cncc2c1cccc2 7a_100000066178_100000233755 [0,0,1,1,0,0|2,0,0]=4 19753 B16R2.50359 COCCOc1nccc2c1cccc2 34a_102531767632_100011201679 [0,0,1,1,0,0|2,0,0]=4 19754 B16R2.50359 COCCSc1cccc2c1cccc2 62a_100000233755_100000210605 [0,0,1,1,0,0|1,1,0]=4 19755 B16R2.50359 CSCCNc1cccc2c1cccc2 34a_100000185869_100000212216 [0,0,1,1,0,0|2,0,0]=4 19756 B16R2.50359 CSCCOc1cccc2c1cccc2 34a_100000210388_100000212216 [0,0,1,1,0,0|1,0,0]=3 19757 B16R2.50359 CSCCOc1cccc2c1cccc2 62a_100000745918_200000210301 [0,0,1,1,0,0|1,0,0]=3 19758 B16R2.50359 CSCCOc1cccc2c1cccc2 62a_200000210301_100000745918 [0,0,1,1,0,0|1,0,0]=3 19759 B16R2.50359 CSCCOc1cccc2c1cccc2 7a_100000210388_100000212216 [0,0,1,1,0,0|1,0,0]=3 19760 B16R2.50359 CSCCOc1cccc2c1cccn2 34a_100011197808_100000212216 [0,0,1,1,0,0|2,0,0]=4 19761 B16R2.50359 CSCCOc1cccc2c1ccnc2 34a_100011218533_100000212216 [0,0,1,1,0,0|2,0,0]=4 19762 B16R2.50359 CSCCOc1cccc2c1cncc2 34a_103624766955_100000212216 [0,0,1,1,0,0|2,0,0]=4 19763 B16R2.50359 CSCCOc1cccc2c1nccc2 34a_100000056035_100000212216 [0,0,1,1,0,0|2,0,0]=4 19764 B16R2.50359 CSCCOc1cncc2c1cccc2 34a_100000066178_100000212216 [0,0,1,1,0,0|2,0,0]=4 19765 B16R2.50359 CSCCOc1cncc2c1cccc2 7a_100000066178_100000212216 [0,0,1,1,0,0|2,0,0]=4 19766 B16R2.50359 CSCCOc1nccc2c1cccc2 34a_102531767632_100000212216 [0,0,1,1,0,0|2,0,0]=4 19767 B16R2.50359 CSCCSc1cccc2c1cccc2 62a_100000212216_100000210605 [0,0,1,1,0,0|1,1,0]=4 19768 B16R2.50359 FCCCNc1cccc2c1cccc2 34a_100000185869_100011934791 [0,0,1,1,0,0|2,0,0]=4 19769 B16R2.50359 FCCCOc1cccc2c1cccc2 34a_100000210388_100011934791 [0,0,1,1,0,0|1,0,0]=3 19770 B16R2.50359 FCCCOc1cccc2c1cccc2 7a_100000210388_100011934791 [0,0,1,1,0,0|1,0,0]=3 19771 B16R2.50359 FCCCOc1cccc2c1cccn2 34a_100011197808_100011934791 [0,0,1,1,0,0|2,0,0]=4 19772 B16R2.50359 FCCCOc1cccc2c1ccnc2 34a_100011218533_100011934791 [0,0,1,1,0,0|2,0,0]=4 19773 B16R2.50359 FCCCOc1cccc2c1cncc2 34a_103624766955_100011934791 [0,0,1,1,0,0|2,0,0]=4 19774 B16R2.50359 FCCCOc1cccc2c1nccc2 34a_100000056035_100011934791 [0,0,1,1,0,0|2,0,0]=4 19775 B16R2.50359 FCCCOc1cncc2c1cccc2 34a_100000066178_100011934791 [0,0,1,1,0,0|2,0,0]=4 19776 B16R2.50359 FCCCOc1cncc2c1cccc2 7a_100000066178_100011934791 [0,0,1,1,0,0|2,0,0]=4 19777 B16R2.50359 FCCCOc1nccc2c1cccc2 34a_102531767632_100011934791 [0,0,1,1,0,0|2,0,0]=4 19778 B16R2.50359 FCCCSc1cccc2c1cccc2 62a_100011934791_100000210605 [0,0,1,1,0,0|1,1,0]=4 19779 B16R2.50359 N#CCCOc1cccc2c1cccc2 7a_100000210388_100000184422 [0,0,1,1,0,0|1,0,1]=4 19780 B16R2.50359 OCCCNc1cccc2c1cccc2 34a_100000185869_100000230001 [0,0,1,1,0,0|2,0,0]=4 19781 B16R2.50359 OCCCOc1cccc2c1cccc2 34a_100000210388_100000230001 [0,0,1,1,0,0|1,0,0]=3 19782 B16R2.50359 OCCCOc1cccc2c1cccc2 7a_100000210388_100011215043 [0,0,1,1,0,0|1,0,0]=3 19783 B16R2.50359 OCCCOc1cccc2c1cccn2 34a_100011197808_100000230001 [0,0,1,1,0,0|2,0,0]=4 19784 B16R2.50359 OCCCOc1cccc2c1ccnc2 34a_100011218533_100000230001 [0,0,1,1,0,0|2,0,0]=4 19785 B16R2.50359 OCCCOc1cccc2c1cncc2 34a_103624766955_100000230001 [0,0,1,1,0,0|2,0,0]=4 19786 B16R2.50359 OCCCOc1cccc2c1nccc2 34a_100000056035_100000230001 [0,0,1,1,0,0|2,0,0]=4 19787 B16R2.50359 OCCCOc1cncc2c1cccc2 34a_100000066178_100000230001 [0,0,1,1,0,0|2,0,0]=4 19788 B16R2.50359 OCCCOc1cncc2c1cccc2 7a_100000066178_100011215043 [0,0,1,1,0,0|2,0,0]=4 19789 B16R2.50359 OCCCOc1nccc2c1cccc2 34a_102531767632_100000230001 [0,0,1,1,0,0|2,0,0]=4 19790 B16R2.50359 OCCCSc1cccc2c1cccc2 62a_100011215043_100000210605 [0,0,1,1,0,0|1,1,0]=4 19791 B16R2.50359 [13CH3]NCCOc1cccc2c1cccc2 2230a_100000742599_200025704644 [0,0,1,1,0,0|1,0,0]=3 19792 B16R2.50359 [13CH3]NCCOc1cccc2c1cccc2 34a_100000742599_200025704644 [0,0,1,1,0,0|1,0,0]=3 19793 B16R2.50359 [13CH3]OCCOc1cccc2c1cccc2 34a_200011305859_200025704644 [0,0,1,1,0,0|1,0,0]=3 19794 B16R2.50359 [13CH3]OCCOc1cccc2c1cccc2 7a_200011305859_200025704644 [0,0,1,1,0,0|1,0,0]=3 19795 B16R2.50359 [13CH3]SCCOc1cccc2c1cccc2 62a_100000745918_200025704644 [0,0,1,1,0,0|1,0,0]=3 19796 B16R2.50359 [13CH3]SCCOc1cccc2c1cccc2 62a_200025704644_100000745918 [0,0,1,1,0,0|1,0,0]=3 19797 B16R2.7680 CCCCOc1ccc(c2c1cc[nH]2)C 34a_100000132354_100000210210 [0,0,1,1,0,0|1,0,1]=4 19798 B16R2.7680 CCCCOc1ccc(c2c1occ2)Br 34a_200020711608_100000210210 [0,0,1,1,0,0|2,0,0]=4 19799 B16R2.7680 CCCCOc1ccc(c2c1occ2)Br 7a_200020711608_100000210211 [0,0,1,1,0,0|2,0,0]=4 19800 B16R3.63903 c1cc2cc(ccc2cn1)NC3CC3 34a_100000039641_100000211595 [1,0,0,1,0,0|2,0,0]=4 19801 B16R3.63903 c1cc2cc(ccc2cn1)OC3CC3 34a_100000046372_100000211595 [1,0,0,1,0,0|1,0,0]=3 19802 B16R3.63903 c1cc2cc(ccc2cn1)SC3CC3 62a_100009816743_100000211595 [1,0,0,1,0,0|1,1,0]=4 19803 B16R3.63903 c1cc2ccc(cc2cn1)SC3CC3 62a_100000686496_100000211595 [1,0,0,1,0,0|1,1,0]=4 19804 B16R3.63903 c1ccc2cc(ccc2c1)NC3CC3 34a_100000211940_100000211595 [1,0,0,1,0,0|1,0,0]=3 19805 B16R3.63903 c1ccc2cc(ccc2c1)OC3CC3 34a_100000185828_100000211595 [1,0,0,1,0,0|0,0,0]=2 19806 B16R3.63903 c1ccc2cc(ncc2c1)SC3CC3 62a_100009816522_100000211595 [1,0,0,1,0,0|1,1,0]=4 19807 B16R3.63903 c1ccc2nc(ccc2c1)NC3CC3 27a_100000212008_100011291633 [1,0,0,1,0,0|2,0,0]=4 19808 B16R3.63903 c1ccc2nc(ccc2c1)SC3CC3 62a_100011291633_100000211595 [1,0,0,1,0,0|1,1,0]=4 19809 B16R3.63903 c1ccc2ncc(cc2c1)OC3CC3 34a_100011934006_100000211595 [1,0,0,1,0,0|1,0,0]=3 19810 B16R3.63903 c1cnc2cc(ccc2c1)NC3CC3 34a_100102887122_100000211595 [1,0,0,1,0,0|2,0,0]=4 19811 B16R3.63903 c1cnc2cc(ccc2c1)OC3CC3 34a_100011216045_100000211595 [1,0,0,1,0,0|1,0,0]=3 19812 B16R3.63903 c1cnc2cc(ccc2n1)OC3CC3 34a_100000694412_100000211595 [1,0,0,1,0,0|2,0,0]=4 19813 B16R3.63903 c1cnc2ccc(cc2c1)NC3CC3 34a_100011198106_100000211595 [1,0,0,1,0,0|2,0,0]=4 19814 B16R3.63903 c1cnc2ccc(cc2c1)OC3CC3 34a_100011215586_100000211595 [1,0,0,1,0,0|1,0,0]=3 19815 B16R3.63903 c1cnc2ccc(cc2c1)SC3CC3 62a_100011215947_100000211595 [1,0,0,1,0,0|1,1,0]=4 19816 B16R3.275899 c1ccc2nc(ccc2c1)N3CCC3 27a_100000754969_100011291633 [1,0,0,1,0,0|2,0,0]=4 19817 B16R3.1813 c1ccc2c(csc2c1)OC3CCC3 34a_100000077758_100000749161 [0,0,0,1,1,0|1,0,0]=3 19818 B16R3.1813 c1ccc2c(csc2c1)OC3COC3 34a_100000077758_100009818527 [0,0,0,1,1,0|2,0,0]=4 19819 B16R3.1813 c1ccc2c(csc2c1)OC3COC3 7a_100000077758_100009818527 [0,0,0,1,1,0|2,0,0]=4 19820 B16R3.1814 c1ccc2c(coc2c1)SCC3CC3 62a_100000756562_100009812202 [0,0,0,1,1,0|1,1,0]=4 19821 B16R3.1814 c1ccc2c(csc2c1)OCC3CC3 34a_100000077758_100000742324 [0,0,0,1,1,0|1,0,0]=3 19822 B16R3.1814 c1ccc2c(csc2c1)OCC3CC3 7a_100000077758_100000742324 [0,0,0,1,1,0|1,0,0]=3 19823 B16R3.1814 c1ccc2c(csc2c1)OCC3CO3 34a_100000077758_102125554688 [0,0,0,1,1,0|2,0,0]=4 19824 B16R3.1814 c1ccc2c(csc2c1)OCC3CO3 7a_100000077758_102125554688 [0,0,0,1,1,0|2,0,0]=4 19825 B16R3.1814 c1ccc2c(csc2c1)OCC3CS3 7a_100000077758_100000031435 [0,0,0,1,1,0|2,0,0]=4 19826 B16R3.1814 c1ccc2c(csc2c1)OC[C@@H]3CO3 7a_100000077758_100000745022 [0,0,0,1,1,0|2,0,0]=4 19827 B16R3.1814 c1ccc2c(csc2c1)SCC3CC3 62a_100000756562_100009813928 [0,0,0,1,1,0|1,1,0]=4 19828 B16R3.5012 C1=Cc2cc(ccc2C1)SC3CCC3 62a_100009814306_100000749161 [0,0,0,1,1,0|0,1,1]=4 19829 B16R3.5012 C1=Cc2ccc(cc2C1)SC3CCC3 62a_200009818231_100000749161 [0,0,0,1,1,0|0,1,1]=4 19830 B16R3.5012 c1cc2cc(ccc2[nH]1)OC3CCC3 34a_100000756620_100000749161 [0,0,0,1,1,0|1,0,0]=3 19831 B16R3.5012 c1cc2cc(ccc2[nH]1)OC3COC3 34a_100000756620_100009818527 [0,0,0,1,1,0|2,0,0]=4 19832 B16R3.5012 c1cc2cc(ccc2o1)NC3CCC3 34a_106430523501_100000749161 [0,0,0,1,1,0|2,0,0]=4 19833 B16R3.5012 c1cc2cc(ccc2o1)OC3CCC3 34a_100000070125_100000749161 [0,0,0,1,1,0|1,0,0]=3 19834 B16R3.5012 c1cc2cc(ccc2o1)OC3COC3 34a_100000070125_100009818527 [0,0,0,1,1,0|2,0,0]=4 19835 B16R3.5012 c1cc2cc(ccc2o1)OC3COC3 7a_100000070125_100009818527 [0,0,0,1,1,0|2,0,0]=4 19836 B16R3.5012 c1cc2cc(ccc2s1)NC3CCC3 34a_100000681076_100000749161 [0,0,0,1,1,0|2,0,0]=4 19837 B16R3.5012 c1cc2cc(ccc2s1)OC3CCC3 34a_100012180905_100000749161 [0,0,0,1,1,0|1,0,0]=3 19838 B16R3.5012 c1cc2cc(ccc2s1)OC3COC3 34a_100012180905_100009818527 [0,0,0,1,1,0|2,0,0]=4 19839 B16R3.5012 c1cc2cc(ccc2s1)OC3COC3 7a_100012180905_100009818527 [0,0,0,1,1,0|2,0,0]=4 19840 B16R3.5012 c1cc2cc(cnc2[nH]1)OC3CCC3 34a_100000087691_100000749161 [0,0,0,1,1,0|2,0,0]=4 19841 B16R3.5012 c1cc2ccc(cc2[nH]1)OC3CCC3 34a_100000036713_100000749161 [0,0,0,1,1,0|1,0,0]=3 19842 B16R3.5012 c1cc2ccc(cc2[nH]1)OC3COC3 34a_100000036713_100009818527 [0,0,0,1,1,0|2,0,0]=4 19843 B16R3.5012 c1cc2ccc(cc2o1)NC3CCC3 34a_100000102395_100000749161 [0,0,0,1,1,0|2,0,0]=4 19844 B16R3.5012 c1cc2ccc(cc2o1)OC3CCC3 34a_100000089557_100000749161 [0,0,0,1,1,0|1,0,0]=3 19845 B16R3.5012 c1cc2ccc(cc2o1)OC3COC3 34a_100000089557_100009818527 [0,0,0,1,1,0|2,0,0]=4 19846 B16R3.5012 c1cc2ccc(cc2o1)OC3COC3 7a_100000089557_100009818527 [0,0,0,1,1,0|2,0,0]=4 19847 B16R3.5012 c1cc2cnoc2cc1OC3CCC3 34a_100000098417_100000749161 [0,0,0,1,1,0|2,0,0]=4 19848 B16R3.5012 c1cn2ccc(cc2n1)OC3CCC3 34a_100009863278_100000749161 [0,0,0,1,1,0|2,0,0]=4 19849 B16R3.5012 c1nc2cc(ccc2s1)OC3CCC3 34a_200009850626_100000749161 [0,0,0,1,1,0|2,0,0]=4 19850 B16R3.5012 c1nc2ccc(cc2s1)OC3CCC3 34a_100011995850_100000749161 [0,0,0,1,1,0|2,0,0]=4 19851 B16R3.6439 C1=Cc2cc(ccc2C1)SCC3CC3 62a_100000756562_100009814306 [0,0,0,1,1,0|0,1,1]=4 19852 B16R3.6439 C1=Cc2cc(ccc2C1)SCC3CC3 62a_100009814306_100000742324 [0,0,0,1,1,0|0,1,1]=4 19853 B16R3.6439 C1=Cc2ccc(cc2C1)SCC3CC3 62a_100000756562_200009818231 [0,0,0,1,1,0|0,1,1]=4 19854 B16R3.6439 C1=Cc2ccc(cc2C1)SCC3CC3 62a_200009818231_100000742324 [0,0,0,1,1,0|0,1,1]=4 19855 B16R3.6439 c1cc2cc(ccc2[nH]1)OCC3CC3 34a_100000756620_100000742324 [0,0,0,1,1,0|1,0,0]=3 19856 B16R3.6439 c1cc2cc(ccc2[nH]1)OCC3CO3 34a_100000756620_102125554688 [0,0,0,1,1,0|2,0,0]=4 19857 B16R3.6439 c1cc2cc(ccc2[nH]1)SCC3CC3 62a_100000756562_100000035808 [0,0,0,1,1,0|1,1,0]=4 19858 B16R3.6439 c1cc2cc(ccc2o1)NCC3CC3 34a_106430523501_100000742324 [0,0,0,1,1,0|2,0,0]=4 19859 B16R3.6439 c1cc2cc(ccc2o1)OCC3CC3 34a_100000070125_100000742324 [0,0,0,1,1,0|1,0,0]=3 19860 B16R3.6439 c1cc2cc(ccc2o1)OCC3CC3 7a_100000070125_100000742324 [0,0,0,1,1,0|1,0,0]=3 19861 B16R3.6439 c1cc2cc(ccc2o1)OCC3CO3 34a_100000070125_102125554688 [0,0,0,1,1,0|2,0,0]=4 19862 B16R3.6439 c1cc2cc(ccc2o1)OCC3CO3 7a_100000070125_102125554688 [0,0,0,1,1,0|2,0,0]=4 19863 B16R3.6439 c1cc2cc(ccc2o1)OCC3CS3 7a_100000070125_100000031435 [0,0,0,1,1,0|2,0,0]=4 19864 B16R3.6439 c1cc2cc(ccc2o1)OC[C@@H]3CO3 7a_100000070125_100000745022 [0,0,0,1,1,0|2,0,0]=4 19865 B16R3.6439 c1cc2cc(ccc2o1)SCC3CC3 62a_100000756562_100000691453 [0,0,0,1,1,0|1,1,0]=4 19866 B16R3.6439 c1cc2cc(ccc2s1)NCC3CC3 34a_100000681076_100000742324 [0,0,0,1,1,0|2,0,0]=4 19867 B16R3.6439 c1cc2cc(ccc2s1)OCC3CC3 34a_100012180905_100000742324 [0,0,0,1,1,0|1,0,0]=3 19868 B16R3.6439 c1cc2cc(ccc2s1)OCC3CC3 7a_100012180905_100000742324 [0,0,0,1,1,0|1,0,0]=3 19869 B16R3.6439 c1cc2cc(ccc2s1)OCC3CO3 34a_100012180905_102125554688 [0,0,0,1,1,0|2,0,0]=4 19870 B16R3.6439 c1cc2cc(ccc2s1)OCC3CO3 7a_100012180905_102125554688 [0,0,0,1,1,0|2,0,0]=4 19871 B16R3.6439 c1cc2cc(ccc2s1)OCC3CS3 7a_100012180905_100000031435 [0,0,0,1,1,0|2,0,0]=4 19872 B16R3.6439 c1cc2cc(ccc2s1)OC[C@@H]3CO3 7a_100012180905_100000745022 [0,0,0,1,1,0|2,0,0]=4 19873 B16R3.6439 c1cc2cc(ccc2s1)SCC3CC3 62a_100000756562_100009814439 [0,0,0,1,1,0|1,1,0]=4 19874 B16R3.6439 c1cc2cc(cnc2[nH]1)OCC3CC3 34a_100000087691_100000742324 [0,0,0,1,1,0|2,0,0]=4 19875 B16R3.6439 c1cc2ccc(cc2[nH]1)OCC3CC3 34a_100000036713_100000742324 [0,0,0,1,1,0|1,0,0]=3 19876 B16R3.6439 c1cc2ccc(cc2[nH]1)OCC3CO3 34a_100000036713_102125554688 [0,0,0,1,1,0|2,0,0]=4 19877 B16R3.6439 c1cc2ccc(cc2[nH]1)SCC3CC3 62a_100000756562_100000743809 [0,0,0,1,1,0|1,1,0]=4 19878 B16R3.6439 c1cc2ccc(cc2o1)NCC3CC3 34a_100000102395_100000742324 [0,0,0,1,1,0|2,0,0]=4 19879 B16R3.6439 c1cc2ccc(cc2o1)OCC3CC3 34a_100000089557_100000742324 [0,0,0,1,1,0|1,0,0]=3 19880 B16R3.6439 c1cc2ccc(cc2o1)OCC3CC3 7a_100000089557_100000742324 [0,0,0,1,1,0|1,0,0]=3 19881 B16R3.6439 c1cc2ccc(cc2o1)OCC3CO3 34a_100000089557_102125554688 [0,0,0,1,1,0|2,0,0]=4 19882 B16R3.6439 c1cc2ccc(cc2o1)OCC3CO3 7a_100000089557_102125554688 [0,0,0,1,1,0|2,0,0]=4 19883 B16R3.6439 c1cc2ccc(cc2o1)OCC3CS3 7a_100000089557_100000031435 [0,0,0,1,1,0|2,0,0]=4 19884 B16R3.6439 c1cc2ccc(cc2o1)OC[C@@H]3CO3 7a_100000089557_100000745022 [0,0,0,1,1,0|2,0,0]=4 19885 B16R3.6439 c1cc2ccc(cc2o1)SCC3CC3 62a_100000756562_100000759542 [0,0,0,1,1,0|1,1,0]=4 19886 B16R3.6439 c1cc2ccc(cc2s1)SCC3CC3 62a_100000756562_100009888917 [0,0,0,1,1,0|1,1,0]=4 19887 B16R3.6439 c1cc2cnoc2cc1OCC3CC3 34a_100000098417_100000742324 [0,0,0,1,1,0|2,0,0]=4 19888 B16R3.6439 c1cc2cnoc2cc1OCC3CC3 7a_100000098417_100000742324 [0,0,0,1,1,0|2,0,0]=4 19889 B16R3.6439 c1cc2cscc2cc1SCC3CC3 62a_100000756562_200010760811 [0,0,0,1,1,0|1,1,0]=4 19890 B16R3.6439 c1cn2ccc(cc2n1)OCC3CC3 34a_100009863278_100000742324 [0,0,0,1,1,0|2,0,0]=4 19891 B16R3.6439 c1nc2cc(ccc2s1)OCC3CC3 34a_200009850626_100000742324 [0,0,0,1,1,0|2,0,0]=4 19892 B16R3.6439 c1nc2cc(ccc2s1)OCC3CC3 7a_200009850626_100000742324 [0,0,0,1,1,0|2,0,0]=4 19893 B16R3.6439 c1nc2ccc(cc2s1)OCC3CC3 34a_100011995850_100000742324 [0,0,0,1,1,0|2,0,0]=4 19894 B16R3.6439 c1nc2ccc(cc2s1)OCC3CC3 7a_100011995850_100000742324 [0,0,0,1,1,0|2,0,0]=4 19895 B16R3.275948 c1ccc2[nH]c(cc2c1)SCC3CC3 62a_100000756562_100010232065 [0,0,0,1,1,0|1,1,0]=4 19896 B16R3.275948 c1ccc2oc(cc2c1)SCC3CC3 62a_100000756562_100010159458 [0,0,0,1,1,0|1,1,0]=4 19897 B16R3.275948 c1ccc2sc(cc2c1)SCC3CC3 62a_100000756562_100009816949 [0,0,0,1,1,0|1,1,0]=4 19898 B18R3.1298 CCC1CN(C1)c2ccc3ccccc3n2 27a_100015205115_100011291633 [0,1,0,1,0,0|2,0,0]=4 19899 B18R3.2942 C[C@@H]1CCN(C1)c2ccc3ccccc3n2 27a_100016987628_100011291633 [0,1,0,1,0,0|2,0,0]=4 19900 B18R3.2942 F[C@H]1CCN(C1)c2ccc3ccccc3n2 27a_100015203821_100011291633 [0,1,0,1,0,0|2,0,0]=4 19901 B18R3.2942 OC1CCN(C1)c2ccc3ccccc3n2 27a_100011215560_100011291633 [0,1,0,1,0,0|2,0,0]=4 19902 B18R3.4026 CC1CCN1Cc2cc3ccccc3cn2 269982a_100000755817_100009869231 [0,1,0,1,0,0|2,0,0]=4 19903 B18R3.4026 CC1CCN1Cc2cc3ccccc3cn2 34a_100000755817_100009869231 [0,1,0,1,0,0|2,0,0]=4 19904 B18R3.4026 CC1CCN1Cc2ccc3ccccc3c2 269982a_100000755817_100011216711 [0,1,0,1,0,0|1,0,0]=3 19905 B18R3.4026 CC1CCN1Cc2ccc3ccccc3c2 34a_100000755817_100011216711 [0,1,0,1,0,0|1,0,0]=3 19906 B18R3.4026 CC1CCN1Cc2ccc3ccccc3n2 34a_100000755817_100000737579 [0,1,0,1,0,0|2,0,0]=4 19907 B18R3.4026 CC1CCN1Cc2ccc3cnccc3c2 269982a_100000755817_100020605334 [0,1,0,1,0,0|2,0,0]=4 19908 B18R3.4026 CC1CCN1Cc2ccc3cnccc3c2 34a_100000755817_100020605334 [0,1,0,1,0,0|2,0,0]=4 19909 B18R3.4026 CC1CCN1Cc2ccc3ncccc3c2 269982a_100000755817_100000703657 [0,1,0,1,0,0|2,0,0]=4 19910 B18R3.4026 CC1CCN1Cc2ccc3ncccc3c2 34a_100000755817_100000703657 [0,1,0,1,0,0|2,0,0]=4 19911 B18R3.4026 O=C1CCC1Nc2ccc3ccccc3c2 34a_100000211940_100009892977 [0,1,0,1,0,0|1,0,1]=4 19912 B18R3.4026 O=C1CCC1Nc2ccc3ccccc3c2 7a_100000211940_100009892977 [0,1,0,1,0,0|1,0,1]=4 19913 B18R3.4026 O=C1CCC1Oc2ccc3ccccc3c2 34a_100000185828_100009892977 [0,1,0,1,0,0|0,0,1]=3 19914 B18R3.4026 O=C1CCC1Oc2ccc3ccccc3c2 7a_100000185828_100009892977 [0,1,0,1,0,0|0,0,1]=3 19915 B18R3.4026 O=C1CCC1Oc2ccc3cccnc3c2 34a_100011216045_100009892977 [0,1,0,1,0,0|1,0,1]=4 19916 B18R3.4026 O=C1CCC1Oc2ccc3ccncc3c2 7a_100000752006_100009892977 [0,1,0,1,0,0|1,0,1]=4 19917 B18R3.4026 O=C1CCC1Oc2ccc3cnccc3c2 34a_100000046372_100009892977 [0,1,0,1,0,0|1,0,1]=4 19918 B18R3.4026 O=C1CCC1Oc2ccc3cnccc3c2 7a_100000046372_100009892977 [0,1,0,1,0,0|1,0,1]=4 19919 B18R3.4026 O=C1CCC1Oc2ccc3ncccc3c2 34a_100011215586_100009892977 [0,1,0,1,0,0|1,0,1]=4 19920 B18R3.4026 O=C1CCC1Oc2ccc3ncccc3c2 7a_100011215586_100009892977 [0,1,0,1,0,0|1,0,1]=4 19921 B18R3.4026 O=C1CCC1Oc2cnc3ccccc3c2 34a_100011934006_100009892977 [0,1,0,1,0,0|1,0,1]=4 19922 B18R3.4026 O=C1CCC1Oc2cnc3ccccc3c2 7a_100011934006_100009892977 [0,1,0,1,0,0|1,0,1]=4 19923 B18R3.4026 O=C1CCC1Sc2ccc3ccccc3c2 62a_100009892977_100000233703 [0,1,0,1,0,0|0,1,1]=4 19924 B18R3.6524 F[C@@H]1C[C@H]1NCc2ccc3ccccc3c2 2230a_100025746932_100011216711 [0,1,0,1,0,0|2,0,0]=4 19925 B18R3.6524 F[C@@H]1C[C@H]1NCc2ccc3ccccc3c2 34a_100025746932_100011216711 [0,1,0,1,0,0|2,0,0]=4 19926 B18R3.6524 F[C@H]1C[C@H]1NCc2ccc3ccccc3c2 2230a_100015190264_100011216711 [0,1,0,1,0,0|2,0,0]=4 19927 B18R3.54752 C[C@H]1[C@H](CN1c2ccc3ccccc3n2)O 27a_206633788156_100011291633 [0,1,0,1,0,0|2,0,0]=4 19928 B18R3.228676 c1cc2cc(ccc2cn1)CNC3CCC3 2230a_100000749019_100020605334 [0,1,0,1,0,0|2,0,0]=4 19929 B18R3.228676 c1cc2cc(ccc2cn1)CNC3CCC3 34a_100000749019_100020605334 [0,1,0,1,0,0|2,0,0]=4 19930 B18R3.228676 c1cc2cc(ccc2cn1)COC3CCC3 34a_100000748187_100020605334 [0,1,0,1,0,0|1,0,0]=3 19931 B18R3.228676 c1cc2cc(ccc2cn1)COC3CSC3 7a_100000072292_100020605334 [0,1,0,1,0,0|2,0,0]=4 19932 B18R3.228676 c1cc2cc(ccc2cn1)CSC3CCC3 62a_100020605334_100000749161 [0,1,0,1,0,0|1,1,0]=4 19933 B18R3.228676 c1cc2cc(ccc2cn1)NCC3CCC3 34a_100000039641_100000763275 [0,1,0,1,0,0|2,0,0]=4 19934 B18R3.228676 c1cc2cc(ccc2cn1)NCC3CCO3 34a_100000039641_100000103362 [0,1,0,1,0,0|2,0,0]=4 19935 B18R3.228676 c1cc2cc(ccc2cn1)NCC3COC3 34a_100000039641_100010264016 [0,1,0,1,0,0|2,0,0]=4 19936 B18R3.228676 c1cc2cc(ccc2cn1)OCC3CCC3 34a_100000046372_100000763275 [0,1,0,1,0,0|1,0,0]=3 19937 B18R3.228676 c1cc2cc(ccc2cn1)OCC3CCC3 7a_100000046372_100000763275 [0,1,0,1,0,0|1,0,0]=3 19938 B18R3.228676 c1cc2cc(ccc2cn1)OCC3CCO3 34a_100000046372_100000103362 [0,1,0,1,0,0|1,0,0]=3 19939 B18R3.228676 c1cc2cc(ccc2cn1)OCC3CCO3 7a_100000046372_100000103362 [0,1,0,1,0,0|1,0,0]=3 19940 B18R3.228676 c1cc2cc(ccc2cn1)OCC3COC3 34a_100000046372_100010264016 [0,1,0,1,0,0|1,0,0]=3 19941 B18R3.228676 c1cc2cc(ccc2cn1)OCC3COC3 7a_100000046372_100010264016 [0,1,0,1,0,0|1,0,0]=3 19942 B18R3.228676 c1cc2cc(ccc2cn1)SCC3CCC3 62a_100000763275_100009816743 [0,1,0,1,0,0|1,1,0]=4 19943 B18R3.228676 c1cc2cc(ccc2cn1)SCC3CCC3 62a_100009816743_100000763275 [0,1,0,1,0,0|1,1,0]=4 19944 B18R3.228676 c1cc2cc(ccc2cn1)SCC3CCO3 62a_100000103362_100009816743 [0,1,0,1,0,0|1,1,0]=4 19945 B18R3.228676 c1cc2cc(ccc2cn1)SCC3CCO3 62a_100009816743_100000103362 [0,1,0,1,0,0|1,1,0]=4 19946 B18R3.228676 c1cc2cc(ccc2cn1)SCC3COC3 62a_100009816743_100010264016 [0,1,0,1,0,0|1,1,0]=4 19947 B18R3.228676 c1cc2cc(ccc2cn1)SCC3COC3 62a_100010264016_100009816743 [0,1,0,1,0,0|1,1,0]=4 19948 B18R3.228676 c1cc2ccc(cc2cn1)OCC3CCC3 7a_100000752006_100000763275 [0,1,0,1,0,0|1,0,0]=3 19949 B18R3.228676 c1cc2ccc(cc2cn1)OCC3CCO3 7a_100000752006_100000103362 [0,1,0,1,0,0|1,0,0]=3 19950 B18R3.228676 c1cc2ccc(cc2cn1)OCC3COC3 7a_100000752006_100010264016 [0,1,0,1,0,0|1,0,0]=3 19951 B18R3.228676 c1cc2ccc(cc2cn1)SCC3CCC3 62a_100000686496_100000763275 [0,1,0,1,0,0|1,1,0]=4 19952 B18R3.228676 c1cc2ccc(cc2cn1)SCC3CCC3 62a_100000763275_100000686496 [0,1,0,1,0,0|1,1,0]=4 19953 B18R3.228676 c1cc2ccc(cc2cn1)SCC3CCO3 62a_100000103362_100000686496 [0,1,0,1,0,0|1,1,0]=4 19954 B18R3.228676 c1cc2ccc(cc2cn1)SCC3CCO3 62a_100000686496_100000103362 [0,1,0,1,0,0|1,1,0]=4 19955 B18R3.228676 c1cc2ccc(cc2cn1)SCC3COC3 62a_100000686496_100010264016 [0,1,0,1,0,0|1,1,0]=4 19956 B18R3.228676 c1cc2ccc(cc2cn1)SCC3COC3 62a_100010264016_100000686496 [0,1,0,1,0,0|1,1,0]=4 19957 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CCC3 2230a_100000749019_100011216711 [0,1,0,1,0,0|1,0,0]=3 19958 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CCC3 270004a_100000739491_100000241760 [0,1,0,1,0,0|1,0,0]=3 19959 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CCC3 34a_100000739491_100000749161 [0,1,0,1,0,0|1,0,0]=3 19960 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CCC3 34a_100000749019_100011216711 [0,1,0,1,0,0|1,0,0]=3 19961 B18R3.228676 c1ccc2cc(ccc2c1)CNC3COC3 207a_100016991112_100000211584 [0,1,0,1,0,0|2,0,0]=4 19962 B18R3.228676 c1ccc2cc(ccc2c1)CNC3COC3 2230a_100016991112_100011216711 [0,1,0,1,0,0|2,0,0]=4 19963 B18R3.228676 c1ccc2cc(ccc2c1)CNC3COC3 270004a_100016991112_100000211584 [0,1,0,1,0,0|2,0,0]=4 19964 B18R3.228676 c1ccc2cc(ccc2c1)CNC3COC3 34a_100000739491_100009818527 [0,1,0,1,0,0|2,0,0]=4 19965 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CSC3 207a_100016994217_100000211584 [0,1,0,1,0,0|2,0,0]=4 19966 B18R3.228676 c1ccc2cc(ccc2c1)CNC3CSC3 270004a_100016994217_100000211584 [0,1,0,1,0,0|2,0,0]=4 19967 B18R3.228676 c1ccc2cc(ccc2c1)COC3CCC3 34a_100000748187_100011216711 [0,1,0,1,0,0|0,0,0]=2 19968 B18R3.228676 c1ccc2cc(ccc2c1)COC3CCC3 34a_100011215330_100000749161 [0,1,0,1,0,0|0,0,0]=2 19969 B18R3.228676 c1ccc2cc(ccc2c1)COC3COC3 34a_100011215330_100009818527 [0,1,0,1,0,0|1,0,0]=3 19970 B18R3.228676 c1ccc2cc(ccc2c1)COC3COC3 7a_100011215330_100009818527 [0,1,0,1,0,0|1,0,0]=3 19971 B18R3.228676 c1ccc2cc(ccc2c1)COC3CSC3 7a_100000072292_100011216711 [0,1,0,1,0,0|1,0,0]=3 19972 B18R3.228676 c1ccc2cc(ccc2c1)CSC3CCC3 62a_100011216711_100000749161 [0,1,0,1,0,0|0,1,0]=3 19973 B18R3.228676 c1ccc2cc(ccc2c1)CSC3COC3 62a_100011216711_100009818527 [0,1,0,1,0,0|1,1,0]=4 19974 B18R3.228676 c1ccc2cc(ccc2c1)NCC3CCC3 34a_100000211940_100000763275 [0,1,0,1,0,0|1,0,0]=3 19975 B18R3.228676 c1ccc2cc(ccc2c1)NCC3CCC3 7a_100000211940_100000763275 [0,1,0,1,0,0|1,0,0]=3 19976 B18R3.228676 c1ccc2cc(ccc2c1)NCC3CCO3 34a_100000211940_100000103362 [0,1,0,1,0,0|1,0,0]=3 19977 B18R3.228676 c1ccc2cc(ccc2c1)NCC3CCO3 7a_100000211940_100000103362 [0,1,0,1,0,0|1,0,0]=3 19978 B18R3.228676 c1ccc2cc(ccc2c1)NCC3COC3 34a_100000211940_100010264016 [0,1,0,1,0,0|1,0,0]=3 19979 B18R3.228676 c1ccc2cc(ccc2c1)NCC3COC3 7a_100000211940_100010264016 [0,1,0,1,0,0|1,0,0]=3 19980 B18R3.228676 c1ccc2cc(ccc2c1)NN=C3CCC3 4a_100016987534_100000241760 [0,1,0,1,0,0|1,0,1]=4 19981 B18R3.228676 c1ccc2cc(ccc2c1)OCC3CCC3 34a_100000185828_100000763275 [0,1,0,1,0,0|0,0,0]=2 19982 B18R3.228676 c1ccc2cc(ccc2c1)OCC3CCC3 7a_100000185828_100000763275 [0,1,0,1,0,0|0,0,0]=2 19983 B18R3.228676 c1ccc2cc(ccc2c1)OCC3CCO3 34a_100000185828_100000103362 [0,1,0,1,0,0|0,0,0]=2 19984 B18R3.228676 c1ccc2cc(ccc2c1)OCC3CCO3 7a_100000185828_100000103362 [0,1,0,1,0,0|0,0,0]=2 19985 B18R3.228676 c1ccc2cc(ccc2c1)OCC3COC3 34a_100000185828_100010264016 [0,1,0,1,0,0|0,0,0]=2 19986 B18R3.228676 c1ccc2cc(ccc2c1)OCC3COC3 7a_100000185828_100010264016 [0,1,0,1,0,0|0,0,0]=2 19987 B18R3.228676 c1ccc2cc(ccc2c1)SCC3CCC3 62a_100000763275_100000233703 [0,1,0,1,0,0|0,1,0]=3 19988 B18R3.228676 c1ccc2cc(ccc2c1)SCC3CCO3 62a_100000103362_100000233703 [0,1,0,1,0,0|0,1,0]=3 19989 B18R3.228676 c1ccc2cc(ccc2c1)SCC3COC3 62a_100010264016_100000233703 [0,1,0,1,0,0|0,1,0]=3 19990 B18R3.228676 c1ccc2cc(ncc2c1)CNC3CCC3 2230a_100000749019_100009869231 [0,1,0,1,0,0|2,0,0]=4 19991 B18R3.228676 c1ccc2cc(ncc2c1)CNC3CCC3 34a_100000749019_100009869231 [0,1,0,1,0,0|2,0,0]=4 19992 B18R3.228676 c1ccc2cc(ncc2c1)COC3CCC3 34a_100000748187_100009869231 [0,1,0,1,0,0|1,0,0]=3 19993 B18R3.228676 c1ccc2cc(ncc2c1)COC3CSC3 7a_100000072292_100009869231 [0,1,0,1,0,0|2,0,0]=4 19994 B18R3.228676 c1ccc2cc(ncc2c1)CSC3CCC3 62a_100009869231_100000749161 [0,1,0,1,0,0|1,1,0]=4 19995 B18R3.228676 c1ccc2cc(ncc2c1)SCC3CCC3 62a_100000763275_100000047361 [0,1,0,1,0,0|1,1,0]=4 19996 B18R3.228676 c1ccc2cc(ncc2c1)SCC3CCC3 62a_100009816522_100000763275 [0,1,0,1,0,0|1,1,0]=4 19997 B18R3.228676 c1ccc2cc(ncc2c1)SCC3CCO3 62a_100000103362_100000047361 [0,1,0,1,0,0|1,1,0]=4 19998 B18R3.228676 c1ccc2cc(ncc2c1)SCC3CCO3 62a_100009816522_100000103362 [0,1,0,1,0,0|1,1,0]=4 19999 B18R3.228676 c1ccc2cc(ncc2c1)SCC3COC3 62a_100009816522_100010264016 [0,1,0,1,0,0|1,1,0]=4 20000 B18R3.228676 c1ccc2cc(ncc2c1)SCC3COC3 62a_100010264016_100000047361 [0,1,0,1,0,0|1,1,0]=4 20001 B18R3.228676 c1ccc2nc(ccc2c1)CNC3CCC3 2230a_100000749019_100000737579 [0,1,0,1,0,0|2,0,0]=4 20002 B18R3.228676 c1ccc2nc(ccc2c1)CNC3CCC3 34a_100000749019_100000737579 [0,1,0,1,0,0|2,0,0]=4 20003 B18R3.228676 c1ccc2nc(ccc2c1)COC3CCC3 34a_100000748187_100000737579 [0,1,0,1,0,0|1,0,0]=3 20004 B18R3.228676 c1ccc2nc(ccc2c1)COC3CSC3 7a_100000072292_100000737579 [0,1,0,1,0,0|2,0,0]=4 20005 B18R3.228676 c1ccc2nc(ccc2c1)CSC3CCC3 62a_100000737579_100000749161 [0,1,0,1,0,0|1,1,0]=4 20006 B18R3.228676 c1ccc2nc(ccc2c1)NCC3CCC3 27a_100000738700_100011291633 [0,1,0,1,0,0|2,0,0]=4 20007 B18R3.228676 c1ccc2nc(ccc2c1)NCC3COC3 27a_100015281925_100011291633 [0,1,0,1,0,0|2,0,0]=4 20008 B18R3.228676 c1ccc2nc(ccc2c1)NC[C@@H]3CCO3 27a_100020831831_100011291633 [0,1,0,1,0,0|2,0,0]=4 20009 B18R3.228676 c1ccc2nc(ccc2c1)SCC3CCC3 62a_100000763275_100011291633 [0,1,0,1,0,0|1,1,0]=4 20010 B18R3.228676 c1ccc2nc(ccc2c1)SCC3CCC3 62a_100011291633_100000763275 [0,1,0,1,0,0|1,1,0]=4 20011 B18R3.228676 c1ccc2nc(ccc2c1)SCC3CCO3 62a_100000103362_100011291633 [0,1,0,1,0,0|1,1,0]=4 20012 B18R3.228676 c1ccc2nc(ccc2c1)SCC3CCO3 62a_100011291633_100000103362 [0,1,0,1,0,0|1,1,0]=4 20013 B18R3.228676 c1ccc2nc(ccc2c1)SCC3COC3 62a_100010264016_100011291633 [0,1,0,1,0,0|1,1,0]=4 20014 B18R3.228676 c1ccc2nc(ccc2c1)SCC3COC3 62a_100011291633_100010264016 [0,1,0,1,0,0|1,1,0]=4 20015 B18R3.228676 c1ccc2nc(ncc2c1)COC3CCC3 34a_100000748187_100009868571 [0,1,0,1,0,0|2,0,0]=4 20016 B18R3.228676 c1ccc2ncc(cc2c1)CNC3CCC3 270004a_100000742225_100000241760 [0,1,0,1,0,0|2,0,0]=4 20017 B18R3.228676 c1ccc2ncc(cc2c1)CNC3CCC3 34a_100000742225_100000749161 [0,1,0,1,0,0|2,0,0]=4 20018 B18R3.228676 c1ccc2ncc(cc2c1)COC3CCC3 34a_100011258773_100000749161 [0,1,0,1,0,0|1,0,0]=3 20019 B18R3.228676 c1ccc2ncc(cc2c1)COC3COC3 34a_100011258773_100009818527 [0,1,0,1,0,0|2,0,0]=4 20020 B18R3.228676 c1ccc2ncc(cc2c1)OCC3CCC3 34a_100011934006_100000763275 [0,1,0,1,0,0|1,0,0]=3 20021 B18R3.228676 c1ccc2ncc(cc2c1)OCC3CCC3 7a_100011934006_100000763275 [0,1,0,1,0,0|1,0,0]=3 20022 B18R3.228676 c1ccc2ncc(cc2c1)OCC3CCO3 34a_100011934006_100000103362 [0,1,0,1,0,0|1,0,0]=3 20023 B18R3.228676 c1ccc2ncc(cc2c1)OCC3CCO3 7a_100011934006_100000103362 [0,1,0,1,0,0|1,0,0]=3 20024 B18R3.228676 c1ccc2ncc(cc2c1)OCC3COC3 34a_100011934006_100010264016 [0,1,0,1,0,0|1,0,0]=3 20025 B18R3.228676 c1ccc2ncc(cc2c1)OCC3COC3 7a_100011934006_100010264016 [0,1,0,1,0,0|1,0,0]=3 20026 B18R3.228676 c1ccc2ncc(cc2c1)SCC3CCC3 62a_100000763275_100000737414 [0,1,0,1,0,0|1,1,0]=4 20027 B18R3.228676 c1ccc2ncc(cc2c1)SCC3CCO3 62a_100000103362_100000737414 [0,1,0,1,0,0|1,1,0]=4 20028 B18R3.228676 c1ccc2ncc(cc2c1)SCC3COC3 62a_100010264016_100000737414 [0,1,0,1,0,0|1,1,0]=4 20029 B18R3.228676 c1cnc2cc(ccc2c1)NCC3CCC3 34a_100102887122_100000763275 [0,1,0,1,0,0|2,0,0]=4 20030 B18R3.228676 c1cnc2cc(ccc2c1)NCC3CCO3 34a_100102887122_100000103362 [0,1,0,1,0,0|2,0,0]=4 20031 B18R3.228676 c1cnc2cc(ccc2c1)NCC3COC3 34a_100102887122_100010264016 [0,1,0,1,0,0|2,0,0]=4 20032 B18R3.228676 c1cnc2cc(ccc2c1)OCC3CCC3 34a_100011216045_100000763275 [0,1,0,1,0,0|1,0,0]=3 20033 B18R3.228676 c1cnc2cc(ccc2c1)OCC3CCO3 34a_100011216045_100000103362 [0,1,0,1,0,0|1,0,0]=3 20034 B18R3.228676 c1cnc2cc(ccc2c1)OCC3COC3 34a_100011216045_100010264016 [0,1,0,1,0,0|1,0,0]=3 20035 B18R3.228676 c1cnc2cc(ccc2c1)SCC3CCC3 62a_100000763275_100009816655 [0,1,0,1,0,0|1,1,0]=4 20036 B18R3.228676 c1cnc2cc(ccc2c1)SCC3CCO3 62a_100000103362_100009816655 [0,1,0,1,0,0|1,1,0]=4 20037 B18R3.228676 c1cnc2cc(ccc2c1)SCC3COC3 62a_100010264016_100009816655 [0,1,0,1,0,0|1,1,0]=4 20038 B18R3.228676 c1cnc2cc(ccc2n1)OCC3CCC3 34a_100000694412_100000763275 [0,1,0,1,0,0|2,0,0]=4 20039 B18R3.228676 c1cnc2cc(ccc2n1)OCC3CCO3 34a_100000694412_100000103362 [0,1,0,1,0,0|2,0,0]=4 20040 B18R3.228676 c1cnc2cc(ccc2n1)OCC3COC3 34a_100000694412_100010264016 [0,1,0,1,0,0|2,0,0]=4 20041 B18R3.228676 c1cnc2ccc(cc2c1)CNC3CCC3 2230a_100000749019_100000703657 [0,1,0,1,0,0|2,0,0]=4 20042 B18R3.228676 c1cnc2ccc(cc2c1)CNC3CCC3 270004a_100000238500_100000241760 [0,1,0,1,0,0|2,0,0]=4 20043 B18R3.228676 c1cnc2ccc(cc2c1)CNC3CCC3 34a_100000238500_100000749161 [0,1,0,1,0,0|2,0,0]=4 20044 B18R3.228676 c1cnc2ccc(cc2c1)CNC3CCC3 34a_100000749019_100000703657 [0,1,0,1,0,0|2,0,0]=4 20045 B18R3.228676 c1cnc2ccc(cc2c1)COC3CCC3 34a_100000748187_100000703657 [0,1,0,1,0,0|1,0,0]=3 20046 B18R3.228676 c1cnc2ccc(cc2c1)COC3CCC3 34a_100011315636_100000749161 [0,1,0,1,0,0|1,0,0]=3 20047 B18R3.228676 c1cnc2ccc(cc2c1)COC3COC3 34a_100011315636_100009818527 [0,1,0,1,0,0|2,0,0]=4 20048 B18R3.228676 c1cnc2ccc(cc2c1)COC3CSC3 7a_100000072292_100000703657 [0,1,0,1,0,0|2,0,0]=4 20049 B18R3.228676 c1cnc2ccc(cc2c1)CSC3CCC3 62a_100000703657_100000749161 [0,1,0,1,0,0|1,1,0]=4 20050 B18R3.228676 c1cnc2ccc(cc2c1)NCC3CCC3 34a_100011198106_100000763275 [0,1,0,1,0,0|2,0,0]=4 20051 B18R3.228676 c1cnc2ccc(cc2c1)NCC3CCO3 34a_100011198106_100000103362 [0,1,0,1,0,0|2,0,0]=4 20052 B18R3.228676 c1cnc2ccc(cc2c1)NCC3COC3 34a_100011198106_100010264016 [0,1,0,1,0,0|2,0,0]=4 20053 B18R3.228676 c1cnc2ccc(cc2c1)OCC3CCC3 34a_100011215586_100000763275 [0,1,0,1,0,0|1,0,0]=3 20054 B18R3.228676 c1cnc2ccc(cc2c1)OCC3CCC3 7a_100011215586_100000763275 [0,1,0,1,0,0|1,0,0]=3 20055 B18R3.228676 c1cnc2ccc(cc2c1)OCC3CCO3 34a_100011215586_100000103362 [0,1,0,1,0,0|1,0,0]=3 20056 B18R3.228676 c1cnc2ccc(cc2c1)OCC3CCO3 7a_100011215586_100000103362 [0,1,0,1,0,0|1,0,0]=3 20057 B18R3.228676 c1cnc2ccc(cc2c1)OCC3COC3 34a_100011215586_100010264016 [0,1,0,1,0,0|1,0,0]=3 20058 B18R3.228676 c1cnc2ccc(cc2c1)OCC3COC3 7a_100011215586_100010264016 [0,1,0,1,0,0|1,0,0]=3 20059 B18R3.228676 c1cnc2ccc(cc2c1)SCC3CCC3 62a_100000763275_100011215947 [0,1,0,1,0,0|1,1,0]=4 20060 B18R3.228676 c1cnc2ccc(cc2c1)SCC3CCC3 62a_100011215947_100000763275 [0,1,0,1,0,0|1,1,0]=4 20061 B18R3.228676 c1cnc2ccc(cc2c1)SCC3CCO3 62a_100000103362_100011215947 [0,1,0,1,0,0|1,1,0]=4 20062 B18R3.228676 c1cnc2ccc(cc2c1)SCC3CCO3 62a_100011215947_100000103362 [0,1,0,1,0,0|1,1,0]=4 20063 B18R3.228676 c1cnc2ccc(cc2c1)SCC3COC3 62a_100010264016_100011215947 [0,1,0,1,0,0|1,1,0]=4 20064 B18R3.228676 c1cnc2ccc(cc2c1)SCC3COC3 62a_100011215947_100010264016 [0,1,0,1,0,0|1,1,0]=4 20065 B18R3.449352 CC1(CC1)CNc2ccc3ccccc3n2 27a_100000766693_100011291633 [0,1,0,1,0,0|2,0,0]=4 20066 B18R3.449352 CC1(CC1)NCc2ccc3ccccc3c2 207a_100000757604_100000211584 [0,1,0,1,0,0|2,0,0]=4 20067 B18R3.449352 CC1(CC1)NCc2ccc3ccccc3c2 2230a_100000757604_100011216711 [0,1,0,1,0,0|2,0,0]=4 20068 B18R3.449352 CC1(CC1)OCc2ccc3ccccc3c2 7a_100011725673_100011216711 [0,1,0,1,0,0|2,0,0]=4 20069 B18R3.449352 CC1(CO1)CNc2ccc3ccccc3c2 34a_100000211940_100000760498 [0,1,0,1,0,0|2,0,0]=4 20070 B18R3.449352 CC1(CO1)COc2ccc3ccccc3c2 34a_100000185828_100000760498 [0,1,0,1,0,0|1,0,0]=3 20071 B18R3.449352 CC1(CO1)COc2ccc3cccnc3c2 34a_100011216045_100000760498 [0,1,0,1,0,0|2,0,0]=4 20072 B18R3.449352 CC1(CO1)COc2ccc3cnccc3c2 34a_100000046372_100000760498 [0,1,0,1,0,0|2,0,0]=4 20073 B18R3.449352 CC1(CO1)COc2ccc3ncccc3c2 34a_100011215586_100000760498 [0,1,0,1,0,0|2,0,0]=4 20074 B18R3.449352 CC1(CO1)COc2cnc3ccccc3c2 34a_100011934006_100000760498 [0,1,0,1,0,0|2,0,0]=4 20075 B18R3.449352 CC1(CO1)CSc2ccc3ccccc3c2 62a_100000760498_100000233703 [0,1,0,1,0,0|1,1,0]=4 20076 B18R3.449352 OC1(CC1)CNc2ccc3ccccc3n2 27a_100011936951_100011291633 [0,1,0,1,0,0|2,0,0]=4 20077 B18R3.3053 Nc1ccc2ccc(cc2c1)C3=CCCC3 271570a_100000089523_100010090036 [0,1,0,1,0,0|1,0,1]=4 20078 B18R3.3053 Oc1ccc2ccc(cc2c1)C3=CCCC3 271570a_100000089523_100009816537 [0,1,0,1,0,0|1,0,1]=4 20079 B18R3.32120 Brc1ccc2ccc(cc2c1)CN3CCC3 26a_100000754969_100009816537 [0,1,0,1,0,0|2,0,0]=4 20080 B18R3.32120 Brc1ccc2ccc(cc2c1)NC3CCC3 34a_100010090036_100000749161 [0,1,0,1,0,0|1,0,0]=3 20081 B18R3.32120 Brc1ccc2ccc(cc2c1)NC3COC3 34a_100010090036_100009818527 [0,1,0,1,0,0|2,0,0]=4 20082 B18R3.32120 Brc1ccc2ccc(cc2c1)NC3COC3 7a_100010090036_100009818527 [0,1,0,1,0,0|2,0,0]=4 20083 B18R3.32120 Brc1ccc2ccc(cc2c1)OC3CCC3 34a_100009816537_100000749161 [0,1,0,1,0,0|0,0,0]=2 20084 B18R3.32120 Brc1ccc2ccc(cc2c1)OC3COC3 34a_100009816537_100009818527 [0,1,0,1,0,0|1,0,0]=3 20085 B18R3.32120 Brc1ccc2ccc(cc2c1)OC3COC3 7a_100009816537_100009818527 [0,1,0,1,0,0|1,0,0]=3 20086 B18R3.32120 Brc1ccc2ncc(cc2c1)OC3CCC3 34a_100000703654_100000749161 [0,1,0,1,0,0|1,0,0]=3 20087 B18R3.32120 Brc1ccc2ncc(cc2c1)OC3COC3 34a_100000703654_100009818527 [0,1,0,1,0,0|2,0,0]=4 20088 B18R3.32120 Brc1ccc2ncc(cc2c1)OC3COC3 7a_100000703654_100009818527 [0,1,0,1,0,0|2,0,0]=4 20089 B18R3.32120 Brc1ccc2ncc(cc2c1)SC3CCC3 62a_100010740133_100000749161 [0,1,0,1,0,0|1,1,0]=4 20090 B18R3.32120 Brc1cnc2ccc(cc2c1)NC3CCC3 34a_100009888932_100000749161 [0,1,0,1,0,0|2,0,0]=4 20091 B18R3.32120 Brc1cnc2ccc(cc2c1)OC3CCC3 34a_100010137430_100000749161 [0,1,0,1,0,0|1,0,0]=3 20092 B18R3.32120 Brc1cnc2ccc(cc2c1)OC3COC3 34a_100010137430_100009818527 [0,1,0,1,0,0|2,0,0]=4 20093 B18R3.32120 Brc1cnc2ccc(cc2c1)OC3COC3 7a_100010137430_100009818527 [0,1,0,1,0,0|2,0,0]=4 20094 B18R3.32120 Brc1cnc2ccc(cc2c1)SC3CCC3 62a_200010254249_100000749161 [0,1,0,1,0,0|1,1,0]=4 20095 B18R3.32120 Cc1ccc2ccc(cc2c1)OC3CCC3 34a_100000091598_100000749161 [0,1,0,1,0,0|0,0,0]=2 20096 B18R3.32120 Cc1ccc2ccc(cc2c1)OC3COC3 34a_100000091598_100009818527 [0,1,0,1,0,0|1,0,0]=3 20097 B18R3.32120 Cc1ccc2ccc(cc2c1)OC3COC3 7a_100000091598_100009818527 [0,1,0,1,0,0|1,0,0]=3 20098 B18R3.32120 Cc1ccc2ccc(cc2n1)OC3CCC3 34a_100009867695_100000749161 [0,1,0,1,0,0|1,0,0]=3 20099 B18R3.32120 Cc1ccc2ccc(cc2n1)OC3COC3 34a_100009867695_100009818527 [0,1,0,1,0,0|2,0,0]=4 20100 B18R3.32120 Cc1ccc2ccc(cc2n1)OC3COC3 7a_100009867695_100009818527 [0,1,0,1,0,0|2,0,0]=4 20101 B18R3.32120 Cc1ccc2ccc(cc2n1)SC3CCC3 62a_100009817087_100000749161 [0,1,0,1,0,0|1,1,0]=4 20102 B18R3.32120 Clc1ccc2ccc(cc2n1)OC3CCC3 34a_100000079174_100000749161 [0,1,0,1,0,0|1,0,0]=3 20103 B18R3.32120 Clc1ccc2ccc(cc2n1)OC3COC3 34a_100000079174_100009818527 [0,1,0,1,0,0|2,0,0]=4 20104 B18R3.32120 Clc1ccc2ccc(cc2n1)OC3COC3 7a_100000079174_100009818527 [0,1,0,1,0,0|2,0,0]=4 20105 B18R3.32120 Clc1ccc2ncc(cc2c1)SC3CCC3 62a_100015929906_100000749161 [0,1,0,1,0,0|1,1,0]=4 20106 B18R3.32120 Clc1cnc2ccc(cc2c1)OC3CCC3 34a_100009869629_100000749161 [0,1,0,1,0,0|1,0,0]=3 20107 B18R3.32120 Clc1cnc2ccc(cc2c1)OC3COC3 34a_100009869629_100009818527 [0,1,0,1,0,0|2,0,0]=4 20108 B18R3.32120 Clc1cnc2ccc(cc2c1)OC3COC3 7a_100009869629_100009818527 [0,1,0,1,0,0|2,0,0]=4 20109 B18R3.32120 Clc1cnc2ccc(cc2n1)OC3CCC3 34a_200020640061_100000749161 [0,1,0,1,0,0|2,0,0]=4 20110 B18R3.32120 Fc1cc2cc(ccc2cn1)SC3CCC3 62a_100010291885_100000749161 [0,1,0,1,0,0|1,1,0]=4 20111 B18R3.32120 Fc1ccc2cnc(cc2c1)OC3CCC3 34a_200000101709_100000749161 [0,1,0,1,0,0|1,0,0]=3 20112 B18R3.32120 Fc1ccc2cnc(cc2c1)OC3COC3 34a_200000101709_100009818527 [0,1,0,1,0,0|2,0,0]=4 20113 B18R3.32120 Fc1ccc2cnc(cc2c1)SC3CCC3 62a_100009828686_100000749161 [0,1,0,1,0,0|1,1,0]=4 20114 B18R3.32120 Fc1cnc2ccc(cc2c1)OC3CCC3 34a_100009845357_100000749161 [0,1,0,1,0,0|1,0,0]=3 20115 B18R3.32120 Fc1cnc2ccc(cc2c1)OC3COC3 34a_100009845357_100009818527 [0,1,0,1,0,0|2,0,0]=4 20116 B18R3.32120 Fc1cnc2ccc(cc2c1)OC3COC3 7a_100009845357_100009818527 [0,1,0,1,0,0|2,0,0]=4 20117 B18R3.32120 Nc1cc2cc(ccc2cn1)SC3CCC3 62a_100009817123_100000749161 [0,1,0,1,0,0|1,1,0]=4 20118 B18R3.32120 Nc1ccc2ccc(cc2c1)OC3CCC3 34a_100015378740_100000749161 [0,1,0,1,0,0|0,0,0]=2 20119 B18R3.32120 Nc1ccc2ccc(cc2c1)OC3COC3 34a_100015378740_100009818527 [0,1,0,1,0,0|1,0,0]=3 20120 B18R3.32120 Nc1ccc2ccc(cc2c1)OC3COC3 7a_100015378740_100009818527 [0,1,0,1,0,0|1,0,0]=3 20121 B18R3.32120 Nc1ccc2ccc(cc2c1)SC3CCC3 62a_100010090036_100000749161 [0,1,0,1,0,0|0,1,0]=3 20122 B18R3.32120 Nc1ccc2ccc(cc2c1)SC3COC3 62a_100010090036_100009818527 [0,1,0,1,0,0|1,1,0]=4 20123 B18R3.32120 Nc1ccc2ccc(cc2n1)SC3CCC3 62a_100010187616_100000749161 [0,1,0,1,0,0|1,1,0]=4 20124 B18R3.32120 Nc1ccc2ncc(cc2c1)SC3CCC3 62a_100009888932_100000749161 [0,1,0,1,0,0|1,1,0]=4 20125 B18R3.32120 O=c1ccc2ccc(cc2o1)OC3CCC3 34a_100000185914_100000749161 [0,1,0,1,0,0|1,0,0]=3 20126 B18R3.32120 O=c1ccc2ccc(cc2o1)OC3COC3 34a_100000185914_100009818527 [0,1,0,1,0,0|2,0,0]=4 20127 B18R3.32120 O=c1ccc2ccc(cc2o1)OC3COC3 7a_100000185914_100009818527 [0,1,0,1,0,0|2,0,0]=4 20128 B18R3.32120 Oc1ccc2ccc(cc2c1)NC3CCC3 34a_100015378740_100000749161 [0,1,0,1,0,0|1,0,0]=3 20129 B18R3.32120 Oc1ccc2ccc(cc2c1)NC3COC3 34a_100015378740_100009818527 [0,1,0,1,0,0|2,0,0]=4 20130 B18R3.32120 Oc1ccc2ccc(cc2c1)NC3COC3 7a_100015378740_100009818527 [0,1,0,1,0,0|2,0,0]=4 20131 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CC3 34a_100010090036_100000742324 [0,1,0,1,0,0|1,0,0]=3 20132 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CC3 7a_100010090036_100000742324 [0,1,0,1,0,0|1,0,0]=3 20133 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CO3 34a_100010090036_102125554688 [0,1,0,1,0,0|2,0,0]=4 20134 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CO3 7a_100010090036_102125554688 [0,1,0,1,0,0|2,0,0]=4 20135 B18R3.32122 Brc1ccc2ccc(cc2c1)NCC3CS3 7a_100010090036_100000031435 [0,1,0,1,0,0|2,0,0]=4 20136 B18R3.32122 Brc1ccc2ccc(cc2c1)NC[C@@H]3CO3 7a_100010090036_100000745022 [0,1,0,1,0,0|2,0,0]=4 20137 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CC3 34a_100009816537_100000742324 [0,1,0,1,0,0|0,0,0]=2 20138 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CC3 7a_100009816537_100000742324 [0,1,0,1,0,0|0,0,0]=2 20139 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CO3 34a_100009816537_102125554688 [0,1,0,1,0,0|1,0,0]=3 20140 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CO3 7a_100009816537_102125554688 [0,1,0,1,0,0|1,0,0]=3 20141 B18R3.32122 Brc1ccc2ccc(cc2c1)OCC3CS3 7a_100009816537_100000031435 [0,1,0,1,0,0|1,0,0]=3 20142 B18R3.32122 Brc1ccc2ccc(cc2c1)OC[C@@H]3CO3 7a_100009816537_100000745022 [0,1,0,1,0,0|1,0,0]=3 20143 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CC3 34a_100000703654_100000742324 [0,1,0,1,0,0|1,0,0]=3 20144 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CC3 7a_100000703654_100000742324 [0,1,0,1,0,0|1,0,0]=3 20145 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CO3 34a_100000703654_102125554688 [0,1,0,1,0,0|2,0,0]=4 20146 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CO3 7a_100000703654_102125554688 [0,1,0,1,0,0|2,0,0]=4 20147 B18R3.32122 Brc1ccc2ncc(cc2c1)OCC3CS3 7a_100000703654_100000031435 [0,1,0,1,0,0|2,0,0]=4 20148 B18R3.32122 Brc1ccc2ncc(cc2c1)OC[C@@H]3CO3 7a_100000703654_100000745022 [0,1,0,1,0,0|2,0,0]=4 20149 B18R3.32122 Brc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100010740133 [0,1,0,1,0,0|1,1,0]=4 20150 B18R3.32122 Brc1ccc2ncc(cc2c1)SCC3CC3 62a_100010740133_100000742324 [0,1,0,1,0,0|1,1,0]=4 20151 B18R3.32122 Brc1cnc2ccc(cc2c1)NCC3CC3 34a_100009888932_100000742324 [0,1,0,1,0,0|2,0,0]=4 20152 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CC3 34a_100010137430_100000742324 [0,1,0,1,0,0|1,0,0]=3 20153 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CC3 7a_100010137430_100000742324 [0,1,0,1,0,0|1,0,0]=3 20154 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CO3 34a_100010137430_102125554688 [0,1,0,1,0,0|2,0,0]=4 20155 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CO3 7a_100010137430_102125554688 [0,1,0,1,0,0|2,0,0]=4 20156 B18R3.32122 Brc1cnc2ccc(cc2c1)OCC3CS3 7a_100010137430_100000031435 [0,1,0,1,0,0|2,0,0]=4 20157 B18R3.32122 Brc1cnc2ccc(cc2c1)OC[C@@H]3CO3 7a_100010137430_100000745022 [0,1,0,1,0,0|2,0,0]=4 20158 B18R3.32122 Brc1cnc2ccc(cc2c1)SCC3CC3 62a_100000756562_200010254249 [0,1,0,1,0,0|1,1,0]=4 20159 B18R3.32122 Brc1cnc2ccc(cc2c1)SCC3CC3 62a_200010254249_100000742324 [0,1,0,1,0,0|1,1,0]=4 20160 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CC3 34a_100000091598_100000742324 [0,1,0,1,0,0|0,0,0]=2 20161 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CC3 7a_100000091598_100000742324 [0,1,0,1,0,0|0,0,0]=2 20162 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CO3 34a_100000091598_102125554688 [0,1,0,1,0,0|1,0,0]=3 20163 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CO3 7a_100000091598_102125554688 [0,1,0,1,0,0|1,0,0]=3 20164 B18R3.32122 Cc1ccc2ccc(cc2c1)OCC3CS3 7a_100000091598_100000031435 [0,1,0,1,0,0|1,0,0]=3 20165 B18R3.32122 Cc1ccc2ccc(cc2c1)OC[C@@H]3CO3 7a_100000091598_100000745022 [0,1,0,1,0,0|1,0,0]=3 20166 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CC3 34a_100009867695_100000742324 [0,1,0,1,0,0|1,0,0]=3 20167 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CC3 7a_100009867695_100000742324 [0,1,0,1,0,0|1,0,0]=3 20168 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CO3 34a_100009867695_102125554688 [0,1,0,1,0,0|2,0,0]=4 20169 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CO3 7a_100009867695_102125554688 [0,1,0,1,0,0|2,0,0]=4 20170 B18R3.32122 Cc1ccc2ccc(cc2n1)OCC3CS3 7a_100009867695_100000031435 [0,1,0,1,0,0|2,0,0]=4 20171 B18R3.32122 Cc1ccc2ccc(cc2n1)OC[C@@H]3CO3 7a_100009867695_100000745022 [0,1,0,1,0,0|2,0,0]=4 20172 B18R3.32122 Cc1ccc2ccc(cc2n1)SCC3CC3 62a_100000756562_100009817087 [0,1,0,1,0,0|1,1,0]=4 20173 B18R3.32122 Cc1ccc2ccc(cc2n1)SCC3CC3 62a_100009817087_100000742324 [0,1,0,1,0,0|1,1,0]=4 20174 B18R3.32122 Cc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100015841224 [0,1,0,1,0,0|1,1,0]=4 20175 B18R3.32122 Cc1cnc2ccc(cc2c1)SCC3CC3 62a_100000756562_100009817055 [0,1,0,1,0,0|1,1,0]=4 20176 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CC3 34a_100000079174_100000742324 [0,1,0,1,0,0|1,0,0]=3 20177 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CC3 7a_100000079174_100000742324 [0,1,0,1,0,0|1,0,0]=3 20178 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CO3 34a_100000079174_102125554688 [0,1,0,1,0,0|2,0,0]=4 20179 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CO3 7a_100000079174_102125554688 [0,1,0,1,0,0|2,0,0]=4 20180 B18R3.32122 Clc1ccc2ccc(cc2n1)OCC3CS3 7a_100000079174_100000031435 [0,1,0,1,0,0|2,0,0]=4 20181 B18R3.32122 Clc1ccc2ccc(cc2n1)OC[C@@H]3CO3 7a_100000079174_100000745022 [0,1,0,1,0,0|2,0,0]=4 20182 B18R3.32122 Clc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100015929906 [0,1,0,1,0,0|1,1,0]=4 20183 B18R3.32122 Clc1ccc2ncc(cc2c1)SCC3CC3 62a_100015929906_100000742324 [0,1,0,1,0,0|1,1,0]=4 20184 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CC3 34a_100009869629_100000742324 [0,1,0,1,0,0|1,0,0]=3 20185 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CC3 7a_100009869629_100000742324 [0,1,0,1,0,0|1,0,0]=3 20186 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CO3 34a_100009869629_102125554688 [0,1,0,1,0,0|2,0,0]=4 20187 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CO3 7a_100009869629_102125554688 [0,1,0,1,0,0|2,0,0]=4 20188 B18R3.32122 Clc1cnc2ccc(cc2c1)OCC3CS3 7a_100009869629_100000031435 [0,1,0,1,0,0|2,0,0]=4 20189 B18R3.32122 Clc1cnc2ccc(cc2c1)OC[C@@H]3CO3 7a_100009869629_100000745022 [0,1,0,1,0,0|2,0,0]=4 20190 B18R3.32122 Clc1cnc2ccc(cc2n1)OCC3CC3 34a_200020640061_100000742324 [0,1,0,1,0,0|2,0,0]=4 20191 B18R3.32122 Fc1cc2cc(ccc2cn1)SCC3CC3 62a_100000756562_100010291885 [0,1,0,1,0,0|1,1,0]=4 20192 B18R3.32122 Fc1cc2cc(ccc2cn1)SCC3CC3 62a_100010291885_100000742324 [0,1,0,1,0,0|1,1,0]=4 20193 B18R3.32122 Fc1ccc2cnc(cc2c1)OCC3CC3 34a_200000101709_100000742324 [0,1,0,1,0,0|1,0,0]=3 20194 B18R3.32122 Fc1ccc2cnc(cc2c1)OCC3CO3 34a_200000101709_102125554688 [0,1,0,1,0,0|2,0,0]=4 20195 B18R3.32122 Fc1ccc2cnc(cc2c1)SCC3CC3 62a_100000756562_100009828686 [0,1,0,1,0,0|1,1,0]=4 20196 B18R3.32122 Fc1ccc2cnc(cc2c1)SCC3CC3 62a_100009828686_100000742324 [0,1,0,1,0,0|1,1,0]=4 20197 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CC3 34a_100009845357_100000742324 [0,1,0,1,0,0|1,0,0]=3 20198 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CC3 7a_100009845357_100000742324 [0,1,0,1,0,0|1,0,0]=3 20199 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CO3 34a_100009845357_102125554688 [0,1,0,1,0,0|2,0,0]=4 20200 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CO3 7a_100009845357_102125554688 [0,1,0,1,0,0|2,0,0]=4 20201 B18R3.32122 Fc1cnc2ccc(cc2c1)OCC3CS3 7a_100009845357_100000031435 [0,1,0,1,0,0|2,0,0]=4 20202 B18R3.32122 Fc1cnc2ccc(cc2c1)OC[C@@H]3CO3 7a_100009845357_100000745022 [0,1,0,1,0,0|2,0,0]=4 20203 B18R3.32122 Nc1cc2cc(ccc2cn1)SCC3CC3 62a_100000756562_100009817123 [0,1,0,1,0,0|1,1,0]=4 20204 B18R3.32122 Nc1cc2cc(ccc2cn1)SCC3CC3 62a_100009817123_100000742324 [0,1,0,1,0,0|1,1,0]=4 20205 B18R3.32122 Nc1ccc2ccc(cc2c1)C#CC3CC3 271570a_200009880635_100010090036 [0,1,0,1,0,0|1,0,1]=4 20206 B18R3.32122 Nc1ccc2ccc(cc2c1)C=CC3CC3 271570a_100102526188_100010090036 [0,1,0,1,0,0|1,0,1]=4 20207 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CC3 34a_100015378740_100000742324 [0,1,0,1,0,0|0,0,0]=2 20208 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CC3 7a_100015378740_100000742324 [0,1,0,1,0,0|0,0,0]=2 20209 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CO3 34a_100015378740_102125554688 [0,1,0,1,0,0|1,0,0]=3 20210 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CO3 7a_100015378740_102125554688 [0,1,0,1,0,0|1,0,0]=3 20211 B18R3.32122 Nc1ccc2ccc(cc2c1)OCC3CS3 7a_100015378740_100000031435 [0,1,0,1,0,0|1,0,0]=3 20212 B18R3.32122 Nc1ccc2ccc(cc2c1)OC[C@@H]3CO3 7a_100015378740_100000745022 [0,1,0,1,0,0|1,0,0]=3 20213 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CC3 62a_100000756562_100010090036 [0,1,0,1,0,0|0,1,0]=3 20214 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CC3 62a_100010090036_100000742324 [0,1,0,1,0,0|0,1,0]=3 20215 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CO3 62a_100010090036_102125554688 [0,1,0,1,0,0|1,1,0]=4 20216 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CO3 62a_102125554688_100010090036 [0,1,0,1,0,0|1,1,0]=4 20217 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CS3 62a_100000031435_100010090036 [0,1,0,1,0,0|1,1,0]=4 20218 B18R3.32122 Nc1ccc2ccc(cc2c1)SCC3CS3 62a_100010090036_100000031435 [0,1,0,1,0,0|1,1,0]=4 20219 B18R3.32122 Nc1ccc2ccc(cc2c1)SC[C@@H]3CO3 62a_100000745022_100010090036 [0,1,0,1,0,0|1,1,0]=4 20220 B18R3.32122 Nc1ccc2ccc(cc2c1)SC[C@@H]3CO3 62a_100010090036_100000745022 [0,1,0,1,0,0|1,1,0]=4 20221 B18R3.32122 Nc1ccc2ccc(cc2n1)SCC3CC3 62a_100010187616_100000742324 [0,1,0,1,0,0|1,1,0]=4 20222 B18R3.32122 Nc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100009888932 [0,1,0,1,0,0|1,1,0]=4 20223 B18R3.32122 Nc1ccc2ncc(cc2c1)SCC3CC3 62a_100009888932_100000742324 [0,1,0,1,0,0|1,1,0]=4 20224 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CC3 34a_100000185914_100000742324 [0,1,0,1,0,0|1,0,0]=3 20225 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CC3 7a_100000185914_100000742324 [0,1,0,1,0,0|1,0,0]=3 20226 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CO3 34a_100000185914_102125554688 [0,1,0,1,0,0|2,0,0]=4 20227 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CO3 7a_100000185914_102125554688 [0,1,0,1,0,0|2,0,0]=4 20228 B18R3.32122 O=c1ccc2ccc(cc2o1)OCC3CS3 7a_100000185914_100000031435 [0,1,0,1,0,0|2,0,0]=4 20229 B18R3.32122 O=c1ccc2ccc(cc2o1)OC[C@@H]3CO3 7a_100000185914_100000745022 [0,1,0,1,0,0|2,0,0]=4 20230 B18R3.32122 O=c1ccc2ccc(cc2o1)SCC3CC3 62a_100000756562_100009993525 [0,1,0,1,0,0|1,1,0]=4 20231 B18R3.32122 Oc1cc2cc(ccc2cn1)SCC3CC3 62a_100000756562_100009817130 [0,1,0,1,0,0|1,1,0]=4 20232 B18R3.32122 Oc1ccc2ccc(cc2c1)C#CC3CC3 271570a_200009880635_100009816537 [0,1,0,1,0,0|1,0,1]=4 20233 B18R3.32122 Oc1ccc2ccc(cc2c1)C=CC3CC3 271570a_100102526188_100009816537 [0,1,0,1,0,0|1,0,1]=4 20234 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CC3 34a_100015378740_100000742324 [0,1,0,1,0,0|1,0,0]=3 20235 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CC3 7a_100015378740_100000742324 [0,1,0,1,0,0|1,0,0]=3 20236 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CO3 34a_100015378740_102125554688 [0,1,0,1,0,0|2,0,0]=4 20237 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CO3 7a_100015378740_102125554688 [0,1,0,1,0,0|2,0,0]=4 20238 B18R3.32122 Oc1ccc2ccc(cc2c1)NCC3CS3 7a_100015378740_100000031435 [0,1,0,1,0,0|2,0,0]=4 20239 B18R3.32122 Oc1ccc2ccc(cc2c1)NC[C@@H]3CO3 7a_100015378740_100000745022 [0,1,0,1,0,0|2,0,0]=4 20240 B18R3.32122 Oc1ccc2ccc(cc2c1)SCC3CC3 62a_100000756562_100009816537 [0,1,0,1,0,0|0,1,0]=3 20241 B18R3.32122 Oc1ccc2ccc(cc2c1)SCC3CO3 62a_102125554688_100009816537 [0,1,0,1,0,0|1,1,0]=4 20242 B18R3.32122 Oc1ccc2ccc(cc2c1)SCC3CS3 62a_100000031435_100009816537 [0,1,0,1,0,0|1,1,0]=4 20243 B18R3.32122 Oc1ccc2ccc(cc2c1)SC[C@@H]3CO3 62a_100000745022_100009816537 [0,1,0,1,0,0|1,1,0]=4 20244 B18R3.32122 Oc1ccc2ccc(cc2n1)SCC3CC3 62a_100000756562_100000690401 [0,1,0,1,0,0|1,1,0]=4 20245 B18R3.32122 Oc1ccc2ccc(nc2c1)SCC3CC3 62a_100000756562_100000079174 [0,1,0,1,0,0|1,1,0]=4 20246 B18R3.32122 Oc1ccc2ncc(cc2c1)SCC3CC3 62a_100000756562_100010137430 [0,1,0,1,0,0|1,1,0]=4 20247 B18R3.32122 Oc1cnc2ccc(cc2c1)SCC3CC3 62a_100000756562_100000703654 [0,1,0,1,0,0|1,1,0]=4 20248 B18R3.32122 [O-][n+]1ccc2ccc(cc2c1)SCC3CC3 62a_100000756562_100009816120 [0,1,0,1,0,0|1,1,0]=4 20249 B18R3.89733 Cc1cccc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100010089936 [0,1,0,1,0,0|1,0,1]=4 20250 B18R3.89733 Cc1cccc2c1nc(cc2)N3CCCC3 27a_100000188435_100012002297 [0,1,0,1,0,0|2,0,0]=4 20251 B18R3.89733 Nc1cccc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100010090012 [0,1,0,1,0,0|1,0,1]=4 20252 B18R3.89733 Oc1cccc2c1cc(cc2)C3=CCCC3 271570a_100000089523_100010089991 [0,1,0,1,0,0|1,0,1]=4 20253 B18R3.89733 Oc1cccc2c1nc(cc2)N3CCCC3 27a_100000188435_100010153751 [0,1,0,1,0,0|2,0,0]=4 20254 B18R3.834561 CC1CCN1c2ccc3cccc(c3n2)O 27a_100000755817_100010153751 [0,1,0,1,0,0|2,0,0]=4 20255 B18R3.834561 Cc1cccc2c1nc(cc2)N3CCC3C 27a_100000755817_100012002297 [0,1,0,1,0,0|2,0,0]=4 20256 B18R3.834563 Brc1cccc2c1cc(cc2)CN3CCC3 26a_100000754969_100010169565 [0,1,0,1,0,0|2,0,0]=4 20257 B18R3.834563 Brc1cccc2c1cc(cc2)OC3CCC3 34a_100010169565_100000749161 [0,1,0,1,0,0|0,0,0]=2 20258 B18R3.834563 Brc1cccc2c1cc(cc2)OC3COC3 34a_100010169565_100009818527 [0,1,0,1,0,0|1,0,0]=3 20259 B18R3.834563 Brc1cccc2c1cc(cc2)OC3COC3 7a_100010169565_100009818527 [0,1,0,1,0,0|1,0,0]=3 20260 B18R3.834563 Brc1ccnc2c1cc(cc2)NC3CCC3 34a_100010074812_100000749161 [0,1,0,1,0,0|2,0,0]=4 20261 B18R3.834563 Brc1ccnc2c1cc(cc2)OC3CCC3 34a_100010204251_100000749161 [0,1,0,1,0,0|1,0,0]=3 20262 B18R3.834563 Brc1ccnc2c1cc(cc2)OC3COC3 34a_100010204251_100009818527 [0,1,0,1,0,0|2,0,0]=4 20263 B18R3.834563 Brc1ccnc2c1cc(cc2)OC3COC3 7a_100010204251_100009818527 [0,1,0,1,0,0|2,0,0]=4 20264 B18R3.834563 Cc1cccc2c1cc(cc2)OC3CCC3 34a_200000091600_100000749161 [0,1,0,1,0,0|0,0,0]=2 20265 B18R3.834563 Cc1cccc2c1cc(cc2)OC3COC3 34a_200000091600_100009818527 [0,1,0,1,0,0|1,0,0]=3 20266 B18R3.834563 Cc1cccc2c1cc(cc2)OC3COC3 7a_200000091600_100009818527 [0,1,0,1,0,0|1,0,0]=3 20267 B18R3.834563 Cc1cccc2c1nc(cc2)NC3CCC3 27a_100000749019_100012002297 [0,1,0,1,0,0|2,0,0]=4 20268 B18R3.834563 Cc1ccnc2c1cc(cc2)SC3CCC3 62a_100009817033_100000749161 [0,1,0,1,0,0|1,1,0]=4 20269 B18R3.834563 Cc1nccc2c1cc(cc2)SC3CCC3 62a_200010739692_100000749161 [0,1,0,1,0,0|1,1,0]=4 20270 B18R3.834563 Clc1ccnc2c1cc(cc2)NC3CCC3 34a_100009879071_100000749161 [0,1,0,1,0,0|2,0,0]=4 20271 B18R3.834563 Clc1ccnc2c1cc(cc2)OC3CCC3 34a_100000075933_100000749161 [0,1,0,1,0,0|1,0,0]=3 20272 B18R3.834563 Clc1ccnc2c1cc(cc2)OC3COC3 34a_100000075933_100009818527 [0,1,0,1,0,0|2,0,0]=4 20273 B18R3.834563 Clc1ccnc2c1cc(cc2)OC3COC3 7a_100000075933_100009818527 [0,1,0,1,0,0|2,0,0]=4 20274 B18R3.834563 Clc1ccnc2c1cc(cc2)SC3CCC3 62a_100011310491_100000749161 [0,1,0,1,0,0|1,1,0]=4 20275 B18R3.834563 Clc1nccc2c1cc(cc2)OC3CCC3 34a_200009844553_100000749161 [0,1,0,1,0,0|1,0,0]=3 20276 B18R3.834563 Clc1nccc2c1cc(cc2)OC3COC3 34a_200009844553_100009818527 [0,1,0,1,0,0|2,0,0]=4 20277 B18R3.834563 Clc1nccc2c1cc(cc2)OC3COC3 7a_200009844553_100009818527 [0,1,0,1,0,0|2,0,0]=4 20278 B18R3.834563 Fc1cccc2c1cc(cc2)OC3CCC3 34a_100000091619_100000749161 [0,1,0,1,0,0|0,0,0]=2 20279 B18R3.834563 Fc1cccc2c1cc(cc2)OC3COC3 34a_100000091619_100009818527 [0,1,0,1,0,0|1,0,0]=3 20280 B18R3.834563 Fc1cccc2c1cc(cc2)OC3COC3 7a_100000091619_100009818527 [0,1,0,1,0,0|1,0,0]=3 20281 B18R3.834563 Nc1cccc2c1cc(cc2)OC3CCC3 34a_100000034012_100000749161 [0,1,0,1,0,0|0,0,0]=2 20282 B18R3.834563 Nc1cccc2c1cc(cc2)OC3COC3 34a_100000034012_100009818527 [0,1,0,1,0,0|1,0,0]=3 20283 B18R3.834563 Nc1cccc2c1cc(cc2)OC3COC3 7a_100000034012_100009818527 [0,1,0,1,0,0|1,0,0]=3 20284 B18R3.834563 Nc1cccc2c1cc(cc2)SC3CCC3 62a_100010090012_100000749161 [0,1,0,1,0,0|0,1,0]=3 20285 B18R3.834563 Nc1cccc2c1cc(cc2)SC3COC3 62a_100010090012_100009818527 [0,1,0,1,0,0|1,1,0]=4 20286 B18R3.834563 Nc1cccc2c1cc(cn2)SC3CCC3 62a_100010264086_100000749161 [0,1,0,1,0,0|1,1,0]=4 20287 B18R3.834563 Nc1ccnc2c1cc(cc2)SC3CCC3 62a_100011620571_100000749161 [0,1,0,1,0,0|1,1,0]=4 20288 B18R3.834563 Nc1nccc2c1cc(cc2)SC3CCC3 62a_100012352255_100000749161 [0,1,0,1,0,0|1,1,0]=4 20289 B18R3.834563 O=c1ccoc2c1cc(cc2)NC3CCC3 34a_100000088200_100000749161 [0,1,0,1,0,0|2,0,0]=4 20290 B18R3.834563 Oc1cccc2c1cc(cc2)NC3CCC3 34a_100132313934_100000749161 [0,1,0,1,0,0|1,0,0]=3 20291 B18R3.834563 Oc1cccc2c1cc(cc2)NC3COC3 34a_100132313934_100009818527 [0,1,0,1,0,0|2,0,0]=4 20292 B18R3.834563 Oc1cccc2c1nc(cc2)NC3CCC3 27a_100000749019_100010153751 [0,1,0,1,0,0|2,0,0]=4 20293 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CC3 34a_100010169565_100000742324 [0,1,0,1,0,0|0,0,0]=2 20294 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CC3 7a_100010169565_100000742324 [0,1,0,1,0,0|0,0,0]=2 20295 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CO3 34a_100010169565_102125554688 [0,1,0,1,0,0|1,0,0]=3 20296 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CO3 7a_100010169565_102125554688 [0,1,0,1,0,0|1,0,0]=3 20297 B18R3.834565 Brc1cccc2c1cc(cc2)OCC3CS3 7a_100010169565_100000031435 [0,1,0,1,0,0|1,0,0]=3 20298 B18R3.834565 Brc1cccc2c1cc(cc2)OC[C@@H]3CO3 7a_100010169565_100000745022 [0,1,0,1,0,0|1,0,0]=3 20299 B18R3.834565 Brc1ccnc2c1cc(cc2)NCC3CC3 34a_100010074812_100000742324 [0,1,0,1,0,0|2,0,0]=4 20300 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CC3 34a_100010204251_100000742324 [0,1,0,1,0,0|1,0,0]=3 20301 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CC3 7a_100010204251_100000742324 [0,1,0,1,0,0|1,0,0]=3 20302 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CO3 34a_100010204251_102125554688 [0,1,0,1,0,0|2,0,0]=4 20303 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CO3 7a_100010204251_102125554688 [0,1,0,1,0,0|2,0,0]=4 20304 B18R3.834565 Brc1ccnc2c1cc(cc2)OCC3CS3 7a_100010204251_100000031435 [0,1,0,1,0,0|2,0,0]=4 20305 B18R3.834565 Brc1ccnc2c1cc(cc2)OC[C@@H]3CO3 7a_100010204251_100000745022 [0,1,0,1,0,0|2,0,0]=4 20306 B18R3.834565 Cc1cccc2c1cc(cc2)C#CC3CC3 271570a_200009880635_100010089936 [0,1,0,1,0,0|1,0,1]=4 20307 B18R3.834565 Cc1cccc2c1cc(cc2)C=CC3CC3 271570a_100102526188_100010089936 [0,1,0,1,0,0|1,0,1]=4 20308 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CC3 34a_200000091600_100000742324 [0,1,0,1,0,0|0,0,0]=2 20309 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CC3 7a_200000091600_100000742324 [0,1,0,1,0,0|0,0,0]=2 20310 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CO3 34a_200000091600_102125554688 [0,1,0,1,0,0|1,0,0]=3 20311 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CO3 7a_200000091600_102125554688 [0,1,0,1,0,0|1,0,0]=3 20312 B18R3.834565 Cc1cccc2c1cc(cc2)OCC3CS3 7a_200000091600_100000031435 [0,1,0,1,0,0|1,0,0]=3 20313 B18R3.834565 Cc1cccc2c1cc(cc2)OC[C@@H]3CO3 7a_200000091600_100000745022 [0,1,0,1,0,0|1,0,0]=3 20314 B18R3.834565 Cc1cccc2c1cc(cc2)SCC3CC3 62a_100000756562_100010089936 [0,1,0,1,0,0|0,1,0]=3 20315 B18R3.834565 Cc1cccc2c1cc(cc2)SCC3CO3 62a_102125554688_100010089936 [0,1,0,1,0,0|1,1,0]=4 20316 B18R3.834565 Cc1cccc2c1cc(cc2)SCC3CS3 62a_100000031435_100010089936 [0,1,0,1,0,0|1,1,0]=4 20317 B18R3.834565 Cc1cccc2c1cc(cc2)SC[C@@H]3CO3 62a_100000745022_100010089936 [0,1,0,1,0,0|1,1,0]=4 20318 B18R3.834565 Cc1cccc2c1nc(cc2)NCC3CC3 27a_100000735609_100012002297 [0,1,0,1,0,0|2,0,0]=4 20319 B18R3.834565 Cc1cccc2c1nc(cc2)SCC3CC3 62a_100000756562_100012002297 [0,1,0,1,0,0|1,1,0]=4 20320 B18R3.834565 Cc1ccnc2c1cc(cc2)SCC3CC3 62a_100000756562_100009817033 [0,1,0,1,0,0|1,1,0]=4 20321 B18R3.834565 Cc1ccnc2c1cc(cc2)SCC3CC3 62a_100009817033_100000742324 [0,1,0,1,0,0|1,1,0]=4 20322 B18R3.834565 Cc1nccc2c1cc(cc2)SCC3CC3 62a_100000756562_200010739692 [0,1,0,1,0,0|1,1,0]=4 20323 B18R3.834565 Cc1nccc2c1cc(cc2)SCC3CC3 62a_200010739692_100000742324 [0,1,0,1,0,0|1,1,0]=4 20324 B18R3.834565 Clc1ccnc2c1cc(cc2)NCC3CC3 34a_100009879071_100000742324 [0,1,0,1,0,0|2,0,0]=4 20325 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CC3 34a_100000075933_100000742324 [0,1,0,1,0,0|1,0,0]=3 20326 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CC3 7a_100000075933_100000742324 [0,1,0,1,0,0|1,0,0]=3 20327 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CO3 34a_100000075933_102125554688 [0,1,0,1,0,0|2,0,0]=4 20328 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CO3 7a_100000075933_102125554688 [0,1,0,1,0,0|2,0,0]=4 20329 B18R3.834565 Clc1ccnc2c1cc(cc2)OCC3CS3 7a_100000075933_100000031435 [0,1,0,1,0,0|2,0,0]=4 20330 B18R3.834565 Clc1ccnc2c1cc(cc2)OC[C@@H]3CO3 7a_100000075933_100000745022 [0,1,0,1,0,0|2,0,0]=4 20331 B18R3.834565 Clc1ccnc2c1cc(cc2)SCC3CC3 62a_100000756562_100011310491 [0,1,0,1,0,0|1,1,0]=4 20332 B18R3.834565 Clc1ccnc2c1cc(cc2)SCC3CC3 62a_100011310491_100000742324 [0,1,0,1,0,0|1,1,0]=4 20333 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CC3 34a_200009844553_100000742324 [0,1,0,1,0,0|1,0,0]=3 20334 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CC3 7a_200009844553_100000742324 [0,1,0,1,0,0|1,0,0]=3 20335 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CO3 34a_200009844553_102125554688 [0,1,0,1,0,0|2,0,0]=4 20336 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CO3 7a_200009844553_102125554688 [0,1,0,1,0,0|2,0,0]=4 20337 B18R3.834565 Clc1nccc2c1cc(cc2)OCC3CS3 7a_200009844553_100000031435 [0,1,0,1,0,0|2,0,0]=4 20338 B18R3.834565 Clc1nccc2c1cc(cc2)OC[C@@H]3CO3 7a_200009844553_100000745022 [0,1,0,1,0,0|2,0,0]=4 20339 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CC3 34a_100000091619_100000742324 [0,1,0,1,0,0|0,0,0]=2 20340 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CC3 7a_100000091619_100000742324 [0,1,0,1,0,0|0,0,0]=2 20341 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CO3 34a_100000091619_102125554688 [0,1,0,1,0,0|1,0,0]=3 20342 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CO3 7a_100000091619_102125554688 [0,1,0,1,0,0|1,0,0]=3 20343 B18R3.834565 Fc1cccc2c1cc(cc2)OCC3CS3 7a_100000091619_100000031435 [0,1,0,1,0,0|1,0,0]=3 20344 B18R3.834565 Fc1cccc2c1cc(cc2)OC[C@@H]3CO3 7a_100000091619_100000745022 [0,1,0,1,0,0|1,0,0]=3 20345 B18R3.834565 Fc1cccc2c1nc(cc2)SCC3CC3 62a_100000756562_100012017632 [0,1,0,1,0,0|1,1,0]=4 20346 B18R3.834565 Nc1cccc2c1cc(cc2)C#CC3CC3 271570a_200009880635_100010090012 [0,1,0,1,0,0|1,0,1]=4 20347 B18R3.834565 Nc1cccc2c1cc(cc2)C=CC3CC3 271570a_100102526188_100010090012 [0,1,0,1,0,0|1,0,1]=4 20348 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CC3 34a_100000034012_100000742324 [0,1,0,1,0,0|0,0,0]=2 20349 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CC3 7a_100000034012_100000742324 [0,1,0,1,0,0|0,0,0]=2 20350 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CO3 34a_100000034012_102125554688 [0,1,0,1,0,0|1,0,0]=3 20351 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CO3 7a_100000034012_102125554688 [0,1,0,1,0,0|1,0,0]=3 20352 B18R3.834565 Nc1cccc2c1cc(cc2)OCC3CS3 7a_100000034012_100000031435 [0,1,0,1,0,0|1,0,0]=3 20353 B18R3.834565 Nc1cccc2c1cc(cc2)OC[C@@H]3CO3 7a_100000034012_100000745022 [0,1,0,1,0,0|1,0,0]=3 20354 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CC3 62a_100000756562_100010090012 [0,1,0,1,0,0|0,1,0]=3 20355 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CC3 62a_100010090012_100000742324 [0,1,0,1,0,0|0,1,0]=3 20356 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CO3 62a_100010090012_102125554688 [0,1,0,1,0,0|1,1,0]=4 20357 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CO3 62a_102125554688_100010090012 [0,1,0,1,0,0|1,1,0]=4 20358 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CS3 62a_100000031435_100010090012 [0,1,0,1,0,0|1,1,0]=4 20359 B18R3.834565 Nc1cccc2c1cc(cc2)SCC3CS3 62a_100010090012_100000031435 [0,1,0,1,0,0|1,1,0]=4 20360 B18R3.834565 Nc1cccc2c1cc(cc2)SC[C@@H]3CO3 62a_100000745022_100010090012 [0,1,0,1,0,0|1,1,0]=4 20361 B18R3.834565 Nc1cccc2c1cc(cc2)SC[C@@H]3CO3 62a_100010090012_100000745022 [0,1,0,1,0,0|1,1,0]=4 20362 B18R3.834565 Nc1cccc2c1cc(cn2)SCC3CC3 62a_100000756562_100010264086 [0,1,0,1,0,0|1,1,0]=4 20363 B18R3.834565 Nc1cccc2c1cc(cn2)SCC3CC3 62a_100010264086_100000742324 [0,1,0,1,0,0|1,1,0]=4 20364 B18R3.834565 Nc1ccnc2c1cc(cc2)SCC3CC3 62a_100000756562_100011620571 [0,1,0,1,0,0|1,1,0]=4 20365 B18R3.834565 Nc1ccnc2c1cc(cc2)SCC3CC3 62a_100011620571_100000742324 [0,1,0,1,0,0|1,1,0]=4 20366 B18R3.834565 Nc1nccc2c1cc(cc2)SCC3CC3 62a_100000756562_100012352255 [0,1,0,1,0,0|1,1,0]=4 20367 B18R3.834565 Nc1nccc2c1cc(cc2)SCC3CC3 62a_100012352255_100000742324 [0,1,0,1,0,0|1,1,0]=4 20368 B18R3.834565 O=c1[nH]cnc2c1cc(cc2)OCC3CC3 7a_100011934087_100000742324 [0,1,0,1,0,0|2,0,0]=4 20369 B18R3.834565 O=c1cc[nH]c2c1cc(cc2)SCC3CC3 62a_100000756562_100000746092 [0,1,0,1,0,0|1,1,0]=4 20370 B18R3.834565 O=c1ccoc2c1cc(cc2)NCC3CC3 34a_100000088200_100000742324 [0,1,0,1,0,0|2,0,0]=4 20371 B18R3.834565 O=c1ccoc2c1cc(cc2)SCC3CC3 62a_100000756562_100009813387 [0,1,0,1,0,0|1,1,0]=4 20372 B18R3.834565 Oc1cccc2c1cc(cc2)C#CC3CC3 271570a_200009880635_100010089991 [0,1,0,1,0,0|1,0,1]=4 20373 B18R3.834565 Oc1cccc2c1cc(cc2)C=CC3CC3 271570a_100102526188_100010089991 [0,1,0,1,0,0|1,0,1]=4 20374 B18R3.834565 Oc1cccc2c1cc(cc2)NCC3CC3 34a_100132313934_100000742324 [0,1,0,1,0,0|1,0,0]=3 20375 B18R3.834565 Oc1cccc2c1cc(cc2)NCC3CO3 34a_100132313934_102125554688 [0,1,0,1,0,0|2,0,0]=4 20376 B18R3.834565 Oc1cccc2c1cc(cc2)SCC3CC3 62a_100000756562_100010089991 [0,1,0,1,0,0|0,1,0]=3 20377 B18R3.834565 Oc1cccc2c1cc(cc2)SCC3CO3 62a_102125554688_100010089991 [0,1,0,1,0,0|1,1,0]=4 20378 B18R3.834565 Oc1cccc2c1cc(cc2)SCC3CS3 62a_100000031435_100010089991 [0,1,0,1,0,0|1,1,0]=4 20379 B18R3.834565 Oc1cccc2c1cc(cc2)SC[C@@H]3CO3 62a_100000745022_100010089991 [0,1,0,1,0,0|1,1,0]=4 20380 B18R3.834565 Oc1cccc2c1cc(cn2)SCC3CC3 62a_100000756562_200010153752 [0,1,0,1,0,0|1,1,0]=4 20381 B18R3.834565 Oc1cccc2c1nc(cc2)NCC3CC3 27a_100000735609_100010153751 [0,1,0,1,0,0|2,0,0]=4 20382 B18R3.834565 Oc1cccc2c1nc(cc2)SCC3CC3 62a_100000756562_100000013812 [0,1,0,1,0,0|1,1,0]=4 20383 B18R3.834565 Oc1cncc2c1cc(cc2)SCC3CC3 62a_100000756562_100010136424 [0,1,0,1,0,0|1,1,0]=4 20384 B18R3.834565 Oc1nccc2c1cc(cc2)SCC3CC3 62a_100000756562_100000010956 [0,1,0,1,0,0|1,1,0]=4 20385 B18R3.2123 C1=C(CCCC1)c2cc3ccccc3cn2 271570a_100000062251_100000047361 [0,1,0,1,0,0|2,0,0]=4 20386 B18R3.2123 C1=C(CCCC1)c2ccc3ccccc3c2 271570a_100000062251_100000233703 [0,1,0,1,0,0|1,0,0]=3 20387 B18R3.2123 C1=C(CCCC1)c2ccc3ccccc3n2 271570a_100000062251_100011291633 [0,1,0,1,0,0|2,0,0]=4 20388 B18R3.2123 C1=C(CCCC1)c2ccc3cccnc3c2 271570a_100000062251_100009816655 [0,1,0,1,0,0|2,0,0]=4 20389 B18R3.2123 C1=C(CCCC1)c2ccc3ccncc3c2 271570a_100000062251_100000686496 [0,1,0,1,0,0|2,0,0]=4 20390 B18R3.2123 C1=C(CCCC1)c2ccc3cnccc3c2 271570a_100000062251_100009816743 [0,1,0,1,0,0|2,0,0]=4 20391 B18R3.2123 C1=C(CCCC1)c2ccc3ncccc3c2 271570a_100000062251_100000754243 [0,1,0,1,0,0|2,0,0]=4 20392 B18R3.2123 C1=C(CCCC1)c2cnc3ccccc3c2 271570a_100000062251_100000737414 [0,1,0,1,0,0|2,0,0]=4 20393 B18R3.2123 C1=C(CCCO1)c2ccc3ccccc3c2 271570a_100010175576_100000233703 [0,1,0,1,0,0|1,0,1]=4 20394 B18R3.2123 C1=C(CCNC1)c2ccc3ccccc3c2 271570a_100000731432_100000233703 [0,1,0,1,0,0|1,0,1]=4 20395 B18R3.2123 C1=C(CCOC1)c2ccc3ccccc3c2 271570a_100000070234_100000233703 [0,1,0,1,0,0|1,0,1]=4 20396 B18R3.2123 C1=C(CCSC1)c2ccc3ccccc3c2 271570a_100010232141_100000233703 [0,1,0,1,0,0|1,0,1]=4 20397 B18R3.2123 C1=C(OCCC1)c2cc3ccccc3cn2 271570a_100010177797_100000047361 [0,1,0,1,0,0|1,0,1]=4 20398 B18R3.2123 C1=C(OCCC1)c2ccc3ccccc3c2 271570a_100010177797_100000233703 [0,1,0,1,0,0|0,0,1]=3 20399 B18R3.2123 C1=C(OCCC1)c2ccc3ccccc3n2 271570a_100010177797_100011291633 [0,1,0,1,0,0|1,0,1]=4 20400 B18R3.2123 C1=C(OCCC1)c2ccc3cccnc3c2 271570a_100010177797_100009816655 [0,1,0,1,0,0|1,0,1]=4 20401 B18R3.2123 C1=C(OCCC1)c2ccc3ccncc3c2 271570a_100010177797_100000686496 [0,1,0,1,0,0|1,0,1]=4 20402 B18R3.2123 C1=C(OCCC1)c2ccc3cnccc3c2 271570a_100010177797_100009816743 [0,1,0,1,0,0|1,0,1]=4 20403 B18R3.2123 C1=C(OCCC1)c2ccc3ncccc3c2 271570a_100010177797_100000754243 [0,1,0,1,0,0|1,0,1]=4 20404 B18R3.2123 C1=C(OCCC1)c2cnc3ccccc3c2 271570a_100010177797_100000737414 [0,1,0,1,0,0|1,0,1]=4 20405 B18R3.2123 c1ccc2nc(ccc2c1)N3CCOCC3 27a_100015191051_100011291633 [0,1,0,1,0,0|2,0,0]=4 20406 B18R3.2123 c1ccc2nc(ccc2c1)N3CCSCC3 27a_100000737611_100011291633 [0,1,0,1,0,0|2,0,0]=4 20407 B18R3.182073 CN(c1ccc2ccccc2c1)C3CCC3 269982a_100000181211_100000749161 [0,1,0,1,0,0|1,0,0]=3 20408 B18R3.182073 CN(c1ccc2ccccc2c1)C3CCC3 34a_100000181211_100000749161 [0,1,0,1,0,0|1,0,0]=3 20409 B18R3.182073 CN(c1ccc2ccccc2c1)C3COC3 269982a_100000181211_100000687716 [0,1,0,1,0,0|2,0,0]=4 20410 B18R3.182073 CN(c1ccc2ccccc2c1)C3COC3 34a_100000181211_100009818527 [0,1,0,1,0,0|2,0,0]=4 20411 B18R3.182073 CN(c1ccc2ccccc2n1)C3CCC3 27a_100000758072_100011291633 [0,1,0,1,0,0|2,0,0]=4 20412 B18R3.182073 O=C(c1ccc2ccccc2c1)C3CCC3 1458a_100000210637_100000749161 [0,1,0,1,0,0|1,0,0]=3 20413 B18R3.182073 O=C(c1ccc2ccccc2c1)C3COC3 1458a_100000210637_100000687716 [0,1,0,1,0,0|2,0,0]=4 20414 B18R3.182073 O=C(c1ccc2ccccc2c1)N3CCC3 11a_100000754969_100000210637 [0,1,0,1,0,0|2,0,0]=4 20415 B18R3.182073 O=C(c1ccc2ccccc2c1)N3CCC3 240690a_100000754969_100000210637 [0,1,0,1,0,0|2,0,0]=4 20416 B18R3.182073 O=C(c1ccc2ccccc2c1)N3CCC3 527a_100000754969_100000210637 [0,1,0,1,0,0|2,0,0]=4 20417 B18R3.182073 O=C(c1ccc2cccnc2c1)C3CCC3 1458a_100011933907_100000749161 [0,1,0,1,0,0|2,0,0]=4 20418 B18R3.182073 O=C(c1ccc2ccncc2c1)C3CCC3 1458a_100000070124_100000749161 [0,1,0,1,0,0|2,0,0]=4 20419 B18R3.182073 O=C(c1ccc2cnccc2c1)C3CCC3 1458a_100011935275_100000749161 [0,1,0,1,0,0|2,0,0]=4 20420 B18R3.182073 O=C(c1ccc2ncccc2c1)C3CCC3 1458a_100011216044_100000749161 [0,1,0,1,0,0|2,0,0]=4 20421 B18R3.240205 CC(OC1CC1)c2ccc3ccccc3c2 34a_100011215343_100000211595 [0,1,0,1,0,0|2,0,0]=4 20422 B18R3.240205 CN(CC1CC1)c2ccc3ccccc3c2 2230a_100000181211_100000742324 [0,1,0,1,0,0|1,0,0]=3 20423 B18R3.240205 CN(CC1CC1)c2ccc3ccccc3c2 269982a_100000181211_100000756562 [0,1,0,1,0,0|1,0,0]=3 20424 B18R3.240205 CN(CC1CC1)c2ccc3ccccc3c2 34a_100000181211_100000742324 [0,1,0,1,0,0|1,0,0]=3 20425 B18R3.240205 CN(CC1CC1)c2ccc3ccccc3n2 27a_100000741881_100011291633 [0,1,0,1,0,0|2,0,0]=4 20426 B18R3.240205 CN(CC1CO1)c2ccc3ccccc3c2 2230a_100000181211_100011216344 [0,1,0,1,0,0|2,0,0]=4 20427 B18R3.240205 CN(CC1CO1)c2ccc3ccccc3c2 269982a_100000181211_102125554688 [0,1,0,1,0,0|2,0,0]=4 20428 B18R3.240205 CN(CC1CO1)c2ccc3ccccc3c2 34a_100000181211_102125554688 [0,1,0,1,0,0|2,0,0]=4 20429 B18R3.240205 CN(CC1CS1)c2ccc3ccccc3c2 269982a_100000181211_100000031435 [0,1,0,1,0,0|2,0,0]=4 20430 B18R3.240205 CN(C[C@@H]1CO1)c2ccc3ccccc3c2 269982a_100000181211_100000745022 [0,1,0,1,0,0|2,0,0]=4 20431 B18R3.240205 O=C(CC1CC1)c2ccc3ccccc3c2 1458a_100000210637_100000742324 [0,1,0,1,0,0|1,0,0]=3 20432 B18R3.240205 O=C(CC1CC1)c2ccc3cccnc3c2 1458a_100011933907_100000742324 [0,1,0,1,0,0|2,0,0]=4 20433 B18R3.240205 O=C(CC1CC1)c2ccc3ccncc3c2 1458a_100000070124_100000742324 [0,1,0,1,0,0|2,0,0]=4 20434 B18R3.240205 O=C(CC1CC1)c2ccc3cnccc3c2 1458a_100011935275_100000742324 [0,1,0,1,0,0|2,0,0]=4 20435 B18R3.240205 O=C(CC1CC1)c2ccc3ncccc3c2 1458a_100011216044_100000742324 [0,1,0,1,0,0|2,0,0]=4 20436 B18R3.240205 O=C(CC1CO1)c2ccc3ccccc3c2 1458a_100000210637_100011216344 [0,1,0,1,0,0|2,0,0]=4 20437 B18R3.240205 O=C(CC1CS1)c2ccc3ccccc3c2 1458a_100000210637_100000031435 [0,1,0,1,0,0|2,0,0]=4 20438 B18R3.240205 O=C(C[C@@H]1CO1)c2ccc3ccccc3c2 1458a_100000210637_100000745022 [0,1,0,1,0,0|2,0,0]=4 20439 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 1626a_100000212008_100000210637 [0,1,0,1,0,0|2,0,0]=4 20440 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 240690a_100000212008_100000210637 [0,1,0,1,0,0|2,0,0]=4 20441 B18R3.240205 O=C(NC1CC1)c2ccc3ccccc3c2 527a_100000212008_100000210637 [0,1,0,1,0,0|2,0,0]=4 20442 B18R3.3824 CC1SCCN1c2ccc3ccccc3n2 27a_200011216479_100011291633 [0,1,0,1,0,0|2,0,0]=4 20443 B18R3.3824 C[C@@H]1CCCN1c2ccc3ccccc3n2 27a_100015189458_100011291633 [0,1,0,1,0,0|2,0,0]=4 20444 B18R3.3824 C[C@H]1CCCN1c2ccc3ccccc3n2 27a_100020605311_100011291633 [0,1,0,1,0,0|2,0,0]=4 20445 B18R3.36580 C(=C1CCCC1)c2cc3ccccc3cn2 271570a_100010378317_100000047361 [0,1,0,1,0,0|2,0,0]=4 20446 B18R3.36580 C(=C1CCCC1)c2ccc3ccccc3c2 271570a_100010378317_100000233703 [0,1,0,1,0,0|1,0,0]=3 20447 B18R3.36580 C(=C1CCCC1)c2ccc3ccccc3n2 271570a_100010378317_100011291633 [0,1,0,1,0,0|2,0,0]=4 20448 B18R3.36580 C(=C1CCCC1)c2ccc3cccnc3c2 271570a_100010378317_100009816655 [0,1,0,1,0,0|2,0,0]=4 20449 B18R3.36580 C(=C1CCCC1)c2ccc3ccncc3c2 271570a_100010378317_100000686496 [0,1,0,1,0,0|2,0,0]=4 20450 B18R3.36580 C(=C1CCCC1)c2ccc3cnccc3c2 271570a_100010378317_100009816743 [0,1,0,1,0,0|2,0,0]=4 20451 B18R3.36580 C(=C1CCCC1)c2ccc3ncccc3c2 271570a_100010378317_100000754243 [0,1,0,1,0,0|2,0,0]=4 20452 B18R3.36580 C(=C1CCCC1)c2cnc3ccccc3c2 271570a_100010378317_100000737414 [0,1,0,1,0,0|2,0,0]=4 20453 B18R3.36580 c1cc2cc(ccc2cn1)CN3CCCC3 2230a_100000188435_100020605334 [0,1,0,1,0,0|2,0,0]=4 20454 B18R3.36580 c1cc2cc(ccc2cn1)CN3CCCC3 269982a_100000188435_100020605334 [0,1,0,1,0,0|2,0,0]=4 20455 B18R3.36580 c1cc2cc(ccc2cn1)CN3CCCC3 270004a_100000188435_100000068276 [0,1,0,1,0,0|2,0,0]=4 20456 B18R3.36580 c1cc2cc(ccc2cn1)NC3CCCC3 34a_100000039641_100000179811 [0,1,0,1,0,0|2,0,0]=4 20457 B18R3.36580 c1cc2cc(ccc2cn1)NC3CCOC3 34a_100000039641_100000690089 [0,1,0,1,0,0|2,0,0]=4 20458 B18R3.36580 c1cc2cc(ccc2cn1)OC3CCCC3 34a_100000046372_100000179811 [0,1,0,1,0,0|1,0,0]=3 20459 B18R3.36580 c1cc2cc(ccc2cn1)OC3CCCC3 7a_100000046372_100000179811 [0,1,0,1,0,0|1,0,0]=3 20460 B18R3.36580 c1cc2cc(ccc2cn1)OC3CCOC3 34a_100000046372_100000690089 [0,1,0,1,0,0|1,0,0]=3 20461 B18R3.36580 c1cc2cc(ccc2cn1)OC3CCOC3 7a_100000046372_100000731011 [0,1,0,1,0,0|1,0,0]=3 20462 B18R3.36580 c1cc2cc(ccc2cn1)SC3CCCC3 62a_100009816743_100000179811 [0,1,0,1,0,0|1,1,0]=4 20463 B18R3.36580 c1cc2cc(ccc2cn1)SC3CCCC3 62a_100011217020_100009816743 [0,1,0,1,0,0|1,1,0]=4 20464 B18R3.36580 c1cc2cc(ccc2cn1)SC3CCOC3 62a_100009816743_100000690089 [0,1,0,1,0,0|1,1,0]=4 20465 B18R3.36580 c1cc2ccc(cc2cn1)OC3CCCC3 7a_100000752006_100000179811 [0,1,0,1,0,0|1,0,0]=3 20466 B18R3.36580 c1cc2ccc(cc2cn1)OC3CCOC3 7a_100000752006_100000731011 [0,1,0,1,0,0|1,0,0]=3 20467 B18R3.36580 c1cc2ccc(cc2cn1)SC3CCCC3 62a_100000686496_100000179811 [0,1,0,1,0,0|1,1,0]=4 20468 B18R3.36580 c1cc2ccc(cc2cn1)SC3CCCC3 62a_100011217020_100000686496 [0,1,0,1,0,0|1,1,0]=4 20469 B18R3.36580 c1cc2ccc(cc2cn1)SC3CCOC3 62a_100000686496_100000690089 [0,1,0,1,0,0|1,1,0]=4 20470 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCCC3 2230a_100000188435_100011216711 [0,1,0,1,0,0|1,0,0]=3 20471 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCCC3 269982a_100000188435_100011216711 [0,1,0,1,0,0|1,0,0]=3 20472 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCCC3 270004a_100000188435_100000211584 [0,1,0,1,0,0|1,0,0]=3 20473 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCSC3 2230a_100011215254_100011216711 [0,1,0,1,0,0|2,0,0]=4 20474 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCSC3 269982a_100011215254_100011216711 [0,1,0,1,0,0|2,0,0]=4 20475 B18R3.36580 c1ccc2cc(ccc2c1)CN3CCSC3 270004a_100011215254_100000211584 [0,1,0,1,0,0|2,0,0]=4 20476 B18R3.36580 c1ccc2cc(ccc2c1)NC3CCCC3 34a_100000211940_100000179811 [0,1,0,1,0,0|1,0,0]=3 20477 B18R3.36580 c1ccc2cc(ccc2c1)NC3CCCC3 7a_100000211940_100000179811 [0,1,0,1,0,0|1,0,0]=3 20478 B18R3.36580 c1ccc2cc(ccc2c1)NC3CCOC3 34a_100000211940_100000690089 [0,1,0,1,0,0|1,0,0]=3 20479 B18R3.36580 c1ccc2cc(ccc2c1)NC3CCOC3 7a_100000211940_100000731011 [0,1,0,1,0,0|1,0,0]=3 20480 B18R3.36580 c1ccc2cc(ccc2c1)OC3CCCC3 34a_100000185828_100000179811 [0,1,0,1,0,0|0,0,0]=2 20481 B18R3.36580 c1ccc2cc(ccc2c1)OC3CCCC3 7a_100000185828_100000179811 [0,1,0,1,0,0|0,0,0]=2 20482 B18R3.36580 c1ccc2cc(ccc2c1)OC3CCOC3 34a_100000185828_100000690089 [0,1,0,1,0,0|0,0,0]=2 20483 B18R3.36580 c1ccc2cc(ccc2c1)OC3CCOC3 7a_100000185828_100000731011 [0,1,0,1,0,0|0,0,0]=2 20484 B18R3.36580 c1ccc2cc(ccc2c1)SC3CCCC3 62a_100011217020_100000233703 [0,1,0,1,0,0|0,1,0]=3 20485 B18R3.36580 c1ccc2cc(ncc2c1)CN3CCCC3 2230a_100000188435_100009869231 [0,1,0,1,0,0|2,0,0]=4 20486 B18R3.36580 c1ccc2cc(ncc2c1)CN3CCCC3 269982a_100000188435_100009869231 [0,1,0,1,0,0|2,0,0]=4 20487 B18R3.36580 c1ccc2cc(ncc2c1)CN3CCCC3 270004a_100000188435_100000059776 [0,1,0,1,0,0|2,0,0]=4 20488 B18R3.36580 c1ccc2cc(ncc2c1)SC3CCCC3 62a_100009816522_100000179811 [0,1,0,1,0,0|1,1,0]=4 20489 B18R3.36580 c1ccc2cc(ncc2c1)SC3CCCC3 62a_100011217020_100000047361 [0,1,0,1,0,0|1,1,0]=4 20490 B18R3.36580 c1ccc2cc(ncc2c1)SC3CCOC3 62a_100009816522_100000690089 [0,1,0,1,0,0|1,1,0]=4 20491 B18R3.36580 c1ccc2nc(ccc2c1)CN3CCCC3 2230a_100000188435_100000737579 [0,1,0,1,0,0|2,0,0]=4 20492 B18R3.36580 c1ccc2nc(ccc2c1)CN3CCCC3 270004a_100000188435_100000759686 [0,1,0,1,0,0|2,0,0]=4 20493 B18R3.36580 c1ccc2nc(ccc2c1)NC3CCCC3 27a_100000211070_100011291633 [0,1,0,1,0,0|2,0,0]=4 20494 B18R3.36580 c1ccc2nc(ccc2c1)N[C@@H]3CCOC3 27a_200015188469_100011291633 [0,1,0,1,0,0|2,0,0]=4 20495 B18R3.36580 c1ccc2nc(ccc2c1)N[C@H]3CCOC3 27a_100015188467_100011291633 [0,1,0,1,0,0|2,0,0]=4 20496 B18R3.36580 c1ccc2nc(ccc2c1)SC3CCCC3 62a_100011217020_100011291633 [0,1,0,1,0,0|1,1,0]=4 20497 B18R3.36580 c1ccc2nc(ccc2c1)SC3CCCC3 62a_100011291633_100000179811 [0,1,0,1,0,0|1,1,0]=4 20498 B18R3.36580 c1ccc2nc(ccc2c1)SC3CCOC3 62a_100011291633_100000690089 [0,1,0,1,0,0|1,1,0]=4 20499 B18R3.36580 c1ccc2ncc(cc2c1)CN3CCCC3 270004a_100000188435_100000750898 [0,1,0,1,0,0|2,0,0]=4 20500 B18R3.36580 c1ccc2ncc(cc2c1)OC3CCCC3 34a_100011934006_100000179811 [0,1,0,1,0,0|1,0,0]=3 20501 B18R3.36580 c1ccc2ncc(cc2c1)OC3CCCC3 7a_100011934006_100000179811 [0,1,0,1,0,0|1,0,0]=3 20502 B18R3.36580 c1ccc2ncc(cc2c1)OC3CCOC3 34a_100011934006_100000690089 [0,1,0,1,0,0|1,0,0]=3 20503 B18R3.36580 c1ccc2ncc(cc2c1)OC3CCOC3 7a_100011934006_100000731011 [0,1,0,1,0,0|1,0,0]=3 20504 B18R3.36580 c1ccc2ncc(cc2c1)SC3CCCC3 62a_100011217020_100000737414 [0,1,0,1,0,0|1,1,0]=4 20505 B18R3.36580 c1cnc2cc(ccc2c1)CN3CCCC3 270004a_100000188435_100011784159 [0,1,0,1,0,0|2,0,0]=4 20506 B18R3.36580 c1cnc2cc(ccc2c1)NC3CCCC3 34a_100102887122_100000179811 [0,1,0,1,0,0|2,0,0]=4 20507 B18R3.36580 c1cnc2cc(ccc2c1)NC3CCOC3 34a_100102887122_100000690089 [0,1,0,1,0,0|2,0,0]=4 20508 B18R3.36580 c1cnc2cc(ccc2c1)OC3CCCC3 34a_100011216045_100000179811 [0,1,0,1,0,0|1,0,0]=3 20509 B18R3.36580 c1cnc2cc(ccc2c1)OC3CCOC3 34a_100011216045_100000690089 [0,1,0,1,0,0|1,0,0]=3 20510 B18R3.36580 c1cnc2cc(ccc2c1)SC3CCCC3 62a_100011217020_100009816655 [0,1,0,1,0,0|1,1,0]=4 20511 B18R3.36580 c1cnc2cc(ccc2n1)OC3CCCC3 34a_100000694412_100000179811 [0,1,0,1,0,0|2,0,0]=4 20512 B18R3.36580 c1cnc2cc(ccc2n1)OC3CCOC3 34a_100000694412_100000690089 [0,1,0,1,0,0|2,0,0]=4 20513 B18R3.36580 c1cnc2ccc(cc2c1)CN3CCCC3 2230a_100000188435_100000703657 [0,1,0,1,0,0|2,0,0]=4 20514 B18R3.36580 c1cnc2ccc(cc2c1)CN3CCCC3 269982a_100000188435_100000703657 [0,1,0,1,0,0|2,0,0]=4 20515 B18R3.36580 c1cnc2ccc(cc2c1)CN3CCCC3 270004a_100000188435_100000211315 [0,1,0,1,0,0|2,0,0]=4 20516 B18R3.36580 c1cnc2ccc(cc2c1)NC3CCCC3 34a_100011198106_100000179811 [0,1,0,1,0,0|2,0,0]=4 20517 B18R3.36580 c1cnc2ccc(cc2c1)NC3CCOC3 34a_100011198106_100000690089 [0,1,0,1,0,0|2,0,0]=4 20518 B18R3.36580 c1cnc2ccc(cc2c1)OC3CCCC3 34a_100011215586_100000179811 [0,1,0,1,0,0|1,0,0]=3 20519 B18R3.36580 c1cnc2ccc(cc2c1)OC3CCCC3 7a_100011215586_100000179811 [0,1,0,1,0,0|1,0,0]=3 20520 B18R3.36580 c1cnc2ccc(cc2c1)OC3CCOC3 34a_100011215586_100000690089 [0,1,0,1,0,0|1,0,0]=3 20521 B18R3.36580 c1cnc2ccc(cc2c1)OC3CCOC3 7a_100011215586_100000731011 [0,1,0,1,0,0|1,0,0]=3 20522 B18R3.36580 c1cnc2ccc(cc2c1)SC3CCCC3 62a_100011215947_100000179811 [0,1,0,1,0,0|1,1,0]=4 20523 B18R3.36580 c1cnc2ccc(cc2c1)SC3CCCC3 62a_100011217020_100011215947 [0,1,0,1,0,0|1,1,0]=4 20524 B18R3.36580 c1cnc2ccc(cc2c1)SC3CCOC3 62a_100011215947_100000690089 [0,1,0,1,0,0|1,1,0]=4 20525 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 2230a_100000702820_100011216711 [0,1,0,1,0,0|2,0,0]=4 20526 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 269982a_100000702820_100011216711 [0,1,0,1,0,0|2,0,0]=4 20527 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 270004a_100000702820_100000211584 [0,1,0,1,0,0|2,0,0]=4 20528 B18R3.55121 CC1CN(C1)Cc2ccc3ccccc3c2 34a_100000702820_100011216711 [0,1,0,1,0,0|2,0,0]=4 20529 B18R3.55121 FC1CC(C1)Nc2ccc3ccccc3n2 27a_100016993743_100011291633 [0,1,0,1,0,0|2,0,0]=4 20530 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 2230a_100000690557_100011216711 [0,1,0,1,0,0|2,0,0]=4 20531 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 269982a_100000690557_100011216711 [0,1,0,1,0,0|2,0,0]=4 20532 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 270004a_100000690557_100000211584 [0,1,0,1,0,0|2,0,0]=4 20533 B18R3.55121 FC1CN(C1)Cc2ccc3ccccc3c2 34a_100000690557_100011216711 [0,1,0,1,0,0|2,0,0]=4 20534 B18R3.55121 O=C1CC(C1)Sc2ccc3ccccc3c2 62a_100009894365_100000233703 [0,1,0,1,0,0|0,1,1]=4 20535 B18R3.55121 OC1CN(C1)Cc2ccc3ccccc3c2 269982a_100000749847_100011216711 [0,1,0,1,0,0|2,0,0]=4 20536 B18R3.55121 O[C@H]1C[C@@H](C1)Nc2ccc3ccccc3n2 27a_100020629032_100011291633 [0,1,0,1,0,0|2,0,0]=4 20537 B18R3.119103 CC(Nc1ccc2ccccc2n1)C3CC3 27a_100000700016_100011291633 [0,1,0,1,0,0|2,0,0]=4 20538 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 2230a_100000196433_200000210301 [0,1,0,1,0,0|2,0,0]=4 20539 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 2230a_100000226674_100011216711 [0,1,0,1,0,0|2,0,0]=4 20540 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 269982a_100000185194_100000211595 [0,1,0,1,0,0|2,0,0]=4 20541 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 269982a_100000196433_200000210301 [0,1,0,1,0,0|2,0,0]=4 20542 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 269982a_100000226674_100011216711 [0,1,0,1,0,0|2,0,0]=4 20543 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 270004a_100000226674_100000211584 [0,1,0,1,0,0|2,0,0]=4 20544 B18R3.119103 CN(Cc1ccc2ccccc2c1)C3CC3 34a_100000196433_200000210301 [0,1,0,1,0,0|2,0,0]=4 20545 B18R3.119103 O=C(Cc1ccc2ccccc2c1)C3CC3 1458a_100000210395_100011216711 [0,1,0,1,0,0|1,0,1]=4 20546 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 11a_100000211940_100000210395 [0,1,0,1,0,0|1,0,1]=4 20547 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 1626a_100000211940_100000210395 [0,1,0,1,0,0|1,0,1]=4 20548 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 22a_100000211940_100000210395 [0,1,0,1,0,0|1,0,1]=4 20549 B18R3.119103 O=C(Nc1ccc2ccccc2c1)C3CC3 527a_100000211940_100000210395 [0,1,0,1,0,0|1,0,1]=4 20550 B18R3.119103 [13CH3]N(Cc1ccc2ccccc2c1)C3CC3 2230a_100000196433_200025704644 [0,1,0,1,0,0|2,0,0]=4 20551 B18R3.119103 [13CH3]N(Cc1ccc2ccccc2c1)C3CC3 269982a_100000196433_200025704644 [0,1,0,1,0,0|2,0,0]=4 20552 B18R3.119103 [13CH3]N(Cc1ccc2ccccc2c1)C3CC3 34a_100000196433_200025704644 [0,1,0,1,0,0|2,0,0]=4 20553 B18R3.428416 CC1(CCC1)Nc2ccc3ccccc3n2 27a_100000692455_100011291633 [0,1,0,1,0,0|2,0,0]=4 20554 B18R3.4383 Cc1c(ccc2c1cccc2)C3=CCCC3 271570a_100000089523_100010221197 [0,1,0,1,0,0|1,0,1]=4 20555 B18R3.4383 Fc1c(ccc2c1cccc2)C3=CCCC3 271570a_100000089523_100009832041 [0,1,0,1,0,0|1,0,1]=4 20556 B18R3.4383 Nc1c(ccc2c1cccc2)C3=CCCC3 271570a_100000089523_100009817101 [0,1,0,1,0,0|1,0,1]=4 20557 B18R3.4383 Oc1c(ccc2c1cccc2)C3=CCCC3 271570a_100000089523_100009996032 [0,1,0,1,0,0|1,0,1]=4 20558 B18R3.422385 Brc1c(ccc2c1cccc2)CN3CCC3 269982a_100000754969_100009813938 [0,1,0,1,0,0|2,0,0]=4 20559 B18R3.422385 Brc1c(ccc2c1cccc2)CN3CCC3 26a_100000754969_100000183829 [0,1,0,1,0,0|2,0,0]=4 20560 B18R3.422385 Brc1c(ccc2c1cccc2)NC3CCC3 34a_100000705303_100000749161 [0,1,0,1,0,0|1,0,0]=3 20561 B18R3.422385 Brc1c(ccc2c1cccc2)NC3COC3 34a_100000705303_100009818527 [0,1,0,1,0,0|2,0,0]=4 20562 B18R3.422385 Brc1c(ccc2c1cccc2)OC3CCC3 34a_100000183829_100000749161 [0,1,0,1,0,0|0,0,0]=2 20563 B18R3.422385 Brc1c(ccc2c1cccc2)OC3COC3 34a_100000183829_100009818527 [0,1,0,1,0,0|1,0,0]=3 20564 B18R3.422385 Brc1c(ccc2c1cccc2)OC3COC3 7a_100000183829_100009818527 [0,1,0,1,0,0|1,0,0]=3 20565 B18R3.422385 Brc1c(ccc2c1cccc2)SC3COC3 62a_200010089984_100009818527 [0,1,0,1,0,0|1,1,0]=4 20566 B18R3.422385 Brc1c(ccc2c1cccn2)NC3CCC3 34a_200009995563_100000749161 [0,1,0,1,0,0|2,0,0]=4 20567 B18R3.422385 Brc1c(ccc2c1cncc2)OC3CCC3 34a_200010115057_100000749161 [0,1,0,1,0,0|1,0,0]=3 20568 B18R3.422385 Brc1c(ccc2c1cncc2)OC3COC3 34a_200010115057_100009818527 [0,1,0,1,0,0|2,0,0]=4 20569 B18R3.422385 Brc1c(ccc2c1cncc2)OC3COC3 7a_200010115057_100009818527 [0,1,0,1,0,0|2,0,0]=4 20570 B18R3.422385 Brc1c(ccc2c1nccc2)OC3CCC3 34a_100010173343_100000749161 [0,1,0,1,0,0|1,0,0]=3 20571 B18R3.422385 Brc1c(ccc2c1nccc2)OC3COC3 34a_100010173343_100009818527 [0,1,0,1,0,0|2,0,0]=4 20572 B18R3.422385 Brc1c(ccc2c1nccc2)OC3COC3 7a_100010173343_100009818527 [0,1,0,1,0,0|2,0,0]=4 20573 B18R3.422385 Cc1c(ccc2c1cccc2)OC3CCC3 34a_100009830054_100000749161 [0,1,0,1,0,0|0,0,0]=2 20574 B18R3.422385 Cc1c(ccc2c1cccc2)OC3COC3 34a_100009830054_100009818527 [0,1,0,1,0,0|1,0,0]=3 20575 B18R3.422385 Cc1c(ccc2c1cccc2)OC3COC3 7a_100009830054_100009818527 [0,1,0,1,0,0|1,0,0]=3 20576 B18R3.422385 Cc1c(ccc2c1cccc2)SC3CCC3 62a_100010221197_100000749161 [0,1,0,1,0,0|0,1,0]=3 20577 B18R3.422385 Cc1c(ccc2c1cccc2)SC3COC3 62a_100010221197_100009818527 [0,1,0,1,0,0|1,1,0]=4 20578 B18R3.422385 Cc1c(ccc2c1cccn2)SC3CCC3 62a_200010137439_100000749161 [0,1,0,1,0,0|1,1,0]=4 20579 B18R3.422385 Clc1c(ccc2c1cccc2)NC3CCC3 34a_100000075557_100000749161 [0,1,0,1,0,0|1,0,0]=3 20580 B18R3.422385 Clc1c(ccc2c1cccc2)NC3COC3 34a_100000075557_100009818527 [0,1,0,1,0,0|2,0,0]=4 20581 B18R3.422385 Clc1c(ccc2c1cccc2)OC3CCC3 34a_100000029778_100000749161 [0,1,0,1,0,0|0,0,0]=2 20582 B18R3.422385 Clc1c(ccc2c1cccc2)OC3COC3 34a_100000029778_100009818527 [0,1,0,1,0,0|1,0,0]=3 20583 B18R3.422385 Clc1c(ccc2c1cccc2)OC3COC3 7a_100000029778_100009818527 [0,1,0,1,0,0|1,0,0]=3 20584 B18R3.422385 Clc1c(ccc2c1ccnc2)NC3CCC3 34a_100009851981_100000749161 [0,1,0,1,0,0|2,0,0]=4 20585 B18R3.422385 Clc1c(ccc2c1ccnc2)OC3CCC3 34a_100009824633_100000749161 [0,1,0,1,0,0|1,0,0]=3 20586 B18R3.422385 Clc1c(ccc2c1ccnc2)OC3COC3 34a_100009824633_100009818527 [0,1,0,1,0,0|2,0,0]=4 20587 B18R3.422385 Clc1c(ccc2c1ccnc2)OC3COC3 7a_100009824633_100009818527 [0,1,0,1,0,0|2,0,0]=4 20588 B18R3.422385 Fc1c(ccc2c1cccc2)SC3CCC3 62a_100009832041_100000749161 [0,1,0,1,0,0|0,1,0]=3 20589 B18R3.422385 Fc1c(ccc2c1cccc2)SC3COC3 62a_100009832041_100009818527 [0,1,0,1,0,0|1,1,0]=4 20590 B18R3.422385 Fc1c(ccc2c1nccc2)SC3CCC3 62a_100010751467_100000749161 [0,1,0,1,0,0|1,1,0]=4 20591 B18R3.422385 Ic1c(ccc2c1cccc2)OC3CCC3 34a_100000041551_100000749161 [0,1,0,1,0,0|0,0,0]=2 20592 B18R3.422385 Ic1c(ccc2c1cccc2)OC3COC3 34a_100000041551_100009818527 [0,1,0,1,0,0|1,0,0]=3 20593 B18R3.422385 Ic1c(ccc2c1cccc2)OC3COC3 7a_100000041551_100009818527 [0,1,0,1,0,0|1,0,0]=3 20594 B18R3.422385 Nc1c(ccc2c1cccc2)OC3CCC3 34a_100000007056_100000749161 [0,1,0,1,0,0|0,0,0]=2 20595 B18R3.422385 Nc1c(ccc2c1cccc2)OC3COC3 34a_100000007056_100009818527 [0,1,0,1,0,0|1,0,0]=3 20596 B18R3.422385 Nc1c(ccc2c1cccc2)OC3COC3 7a_100000007056_100009818527 [0,1,0,1,0,0|1,0,0]=3 20597 B18R3.422385 Nc1c(ccc2c1cccc2)SC3CCC3 62a_100009817101_100000749161 [0,1,0,1,0,0|0,1,0]=3 20598 B18R3.422385 Nc1c(ccc2c1cccc2)SC3COC3 62a_100009817101_100009818527 [0,1,0,1,0,0|1,1,0]=4 20599 B18R3.422385 Nc1c(ccc2c1cccn2)SC3CCC3 62a_200010235790_100000749161 [0,1,0,1,0,0|1,1,0]=4 20600 B18R3.422385 Nc1c(ccc2c1ccnc2)SC3CCC3 62a_100010191621_100000749161 [0,1,0,1,0,0|1,1,0]=4 20601 B18R3.422385 Nc1c(cnc2c1cccc2)SC3CCC3 62a_100009995562_100000749161 [0,1,0,1,0,0|1,1,0]=4 20602 B18R3.422385 Nc1c(ncc2c1cccc2)SC3CCC3 62a_100009995564_100000749161 [0,1,0,1,0,0|1,1,0]=4 20603 B18R3.422385 Oc1c(ccc2c1cccc2)NC3CCC3 34a_100000007060_100000749161 [0,1,0,1,0,0|1,0,0]=3 20604 B18R3.422385 Oc1c(ccc2c1cccc2)NC3COC3 34a_100000007060_100009818527 [0,1,0,1,0,0|2,0,0]=4 20605 B18R3.422386 Brc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_200010089984 [0,1,0,1,0,0|1,0,1]=4 20606 B18R3.422386 Brc1c(ccc2c1cccc2)CNC3CC3 34a_100000212008_100009813938 [0,1,0,1,0,0|2,0,0]=4 20607 B18R3.422386 Brc1c(ccc2c1cccc2)NCC3CC3 34a_100000705303_100000742324 [0,1,0,1,0,0|1,0,0]=3 20608 B18R3.422386 Brc1c(ccc2c1cccc2)NCC3CO3 34a_100000705303_102125554688 [0,1,0,1,0,0|2,0,0]=4 20609 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CC3 34a_100000183829_100000742324 [0,1,0,1,0,0|0,0,0]=2 20610 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CC3 7a_100000183829_100000742324 [0,1,0,1,0,0|0,0,0]=2 20611 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CO3 34a_100000183829_102125554688 [0,1,0,1,0,0|1,0,0]=3 20612 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CO3 7a_100000183829_102125554688 [0,1,0,1,0,0|1,0,0]=3 20613 B18R3.422386 Brc1c(ccc2c1cccc2)OCC3CS3 7a_100000183829_100000031435 [0,1,0,1,0,0|1,0,0]=3 20614 B18R3.422386 Brc1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100000183829_100000745022 [0,1,0,1,0,0|1,0,0]=3 20615 B18R3.422386 Brc1c(ccc2c1cccc2)SCC3CO3 62a_102125554688_200010089984 [0,1,0,1,0,0|1,1,0]=4 20616 B18R3.422386 Brc1c(ccc2c1cccc2)SCC3CO3 62a_200010089984_102125554688 [0,1,0,1,0,0|1,1,0]=4 20617 B18R3.422386 Brc1c(ccc2c1cccc2)SCC3CS3 62a_100000031435_200010089984 [0,1,0,1,0,0|1,1,0]=4 20618 B18R3.422386 Brc1c(ccc2c1cccc2)SCC3CS3 62a_200010089984_100000031435 [0,1,0,1,0,0|1,1,0]=4 20619 B18R3.422386 Brc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_200010089984 [0,1,0,1,0,0|1,1,0]=4 20620 B18R3.422386 Brc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_200010089984_100000745022 [0,1,0,1,0,0|1,1,0]=4 20621 B18R3.422386 Brc1c(ccc2c1cccn2)NCC3CC3 34a_200009995563_100000742324 [0,1,0,1,0,0|2,0,0]=4 20622 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CC3 34a_200010115057_100000742324 [0,1,0,1,0,0|1,0,0]=3 20623 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CC3 7a_200010115057_100000742324 [0,1,0,1,0,0|1,0,0]=3 20624 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CO3 34a_200010115057_102125554688 [0,1,0,1,0,0|2,0,0]=4 20625 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CO3 7a_200010115057_102125554688 [0,1,0,1,0,0|2,0,0]=4 20626 B18R3.422386 Brc1c(ccc2c1cncc2)OCC3CS3 7a_200010115057_100000031435 [0,1,0,1,0,0|2,0,0]=4 20627 B18R3.422386 Brc1c(ccc2c1cncc2)OC[C@@H]3CO3 7a_200010115057_100000745022 [0,1,0,1,0,0|2,0,0]=4 20628 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CC3 34a_100010173343_100000742324 [0,1,0,1,0,0|1,0,0]=3 20629 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CC3 7a_100010173343_100000742324 [0,1,0,1,0,0|1,0,0]=3 20630 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CO3 34a_100010173343_102125554688 [0,1,0,1,0,0|2,0,0]=4 20631 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CO3 7a_100010173343_102125554688 [0,1,0,1,0,0|2,0,0]=4 20632 B18R3.422386 Brc1c(ccc2c1nccc2)OCC3CS3 7a_100010173343_100000031435 [0,1,0,1,0,0|2,0,0]=4 20633 B18R3.422386 Brc1c(ccc2c1nccc2)OC[C@@H]3CO3 7a_100010173343_100000745022 [0,1,0,1,0,0|2,0,0]=4 20634 B18R3.422386 Cc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_100010221197 [0,1,0,1,0,0|1,0,1]=4 20635 B18R3.422386 Cc1c(ccc2c1cccc2)C=CC3CC3 271570a_100102526188_100010221197 [0,1,0,1,0,0|1,0,1]=4 20636 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CC3 34a_100009830054_100000742324 [0,1,0,1,0,0|0,0,0]=2 20637 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CC3 7a_100009830054_100000742324 [0,1,0,1,0,0|0,0,0]=2 20638 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CO3 34a_100009830054_102125554688 [0,1,0,1,0,0|1,0,0]=3 20639 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CO3 7a_100009830054_102125554688 [0,1,0,1,0,0|1,0,0]=3 20640 B18R3.422386 Cc1c(ccc2c1cccc2)OCC3CS3 7a_100009830054_100000031435 [0,1,0,1,0,0|1,0,0]=3 20641 B18R3.422386 Cc1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100009830054_100000745022 [0,1,0,1,0,0|1,0,0]=3 20642 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CC3 62a_100000756562_100010221197 [0,1,0,1,0,0|0,1,0]=3 20643 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CC3 62a_100010221197_100000742324 [0,1,0,1,0,0|0,1,0]=3 20644 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CO3 62a_100010221197_102125554688 [0,1,0,1,0,0|1,1,0]=4 20645 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CO3 62a_102125554688_100010221197 [0,1,0,1,0,0|1,1,0]=4 20646 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CS3 62a_100000031435_100010221197 [0,1,0,1,0,0|1,1,0]=4 20647 B18R3.422386 Cc1c(ccc2c1cccc2)SCC3CS3 62a_100010221197_100000031435 [0,1,0,1,0,0|1,1,0]=4 20648 B18R3.422386 Cc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100010221197 [0,1,0,1,0,0|1,1,0]=4 20649 B18R3.422386 Cc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100010221197_100000745022 [0,1,0,1,0,0|1,1,0]=4 20650 B18R3.422386 Cc1c(ccc2c1cccn2)SCC3CC3 62a_100000756562_200010137439 [0,1,0,1,0,0|1,1,0]=4 20651 B18R3.422386 Cc1c(ccc2c1cccn2)SCC3CC3 62a_200010137439_100000742324 [0,1,0,1,0,0|1,1,0]=4 20652 B18R3.422386 Cc1c(ccc2c1nccc2)SCC3CC3 62a_100000756562_100010214467 [0,1,0,1,0,0|1,1,0]=4 20653 B18R3.422386 Clc1c(ccc2c1cccc2)NCC3CC3 34a_100000075557_100000742324 [0,1,0,1,0,0|1,0,0]=3 20654 B18R3.422386 Clc1c(ccc2c1cccc2)NCC3CO3 34a_100000075557_102125554688 [0,1,0,1,0,0|2,0,0]=4 20655 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CC3 34a_100000029778_100000742324 [0,1,0,1,0,0|0,0,0]=2 20656 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CC3 7a_100000029778_100000742324 [0,1,0,1,0,0|0,0,0]=2 20657 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CO3 34a_100000029778_102125554688 [0,1,0,1,0,0|1,0,0]=3 20658 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CO3 7a_100000029778_102125554688 [0,1,0,1,0,0|1,0,0]=3 20659 B18R3.422386 Clc1c(ccc2c1cccc2)OCC3CS3 7a_100000029778_100000031435 [0,1,0,1,0,0|1,0,0]=3 20660 B18R3.422386 Clc1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100000029778_100000745022 [0,1,0,1,0,0|1,0,0]=3 20661 B18R3.422386 Clc1c(ccc2c1ccnc2)NCC3CC3 34a_100009851981_100000742324 [0,1,0,1,0,0|2,0,0]=4 20662 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CC3 34a_100009824633_100000742324 [0,1,0,1,0,0|1,0,0]=3 20663 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CC3 7a_100009824633_100000742324 [0,1,0,1,0,0|1,0,0]=3 20664 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CO3 34a_100009824633_102125554688 [0,1,0,1,0,0|2,0,0]=4 20665 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CO3 7a_100009824633_102125554688 [0,1,0,1,0,0|2,0,0]=4 20666 B18R3.422386 Clc1c(ccc2c1ccnc2)OCC3CS3 7a_100009824633_100000031435 [0,1,0,1,0,0|2,0,0]=4 20667 B18R3.422386 Clc1c(ccc2c1ccnc2)OC[C@@H]3CO3 7a_100009824633_100000745022 [0,1,0,1,0,0|2,0,0]=4 20668 B18R3.422386 Clc1c(cnc2c1cccc2)SCC3CC3 62a_100000756562_100012352519 [0,1,0,1,0,0|1,1,0]=4 20669 B18R3.422386 Fc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_100009832041 [0,1,0,1,0,0|1,0,1]=4 20670 B18R3.422386 Fc1c(ccc2c1cccc2)C=CC3CC3 271570a_100102526188_100009832041 [0,1,0,1,0,0|1,0,1]=4 20671 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CC3 62a_100000756562_100009832041 [0,1,0,1,0,0|0,1,0]=3 20672 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CC3 62a_100009832041_100000742324 [0,1,0,1,0,0|0,1,0]=3 20673 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CO3 62a_100009832041_102125554688 [0,1,0,1,0,0|1,1,0]=4 20674 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CO3 62a_102125554688_100009832041 [0,1,0,1,0,0|1,1,0]=4 20675 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CS3 62a_100000031435_100009832041 [0,1,0,1,0,0|1,1,0]=4 20676 B18R3.422386 Fc1c(ccc2c1cccc2)SCC3CS3 62a_100009832041_100000031435 [0,1,0,1,0,0|1,1,0]=4 20677 B18R3.422386 Fc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100009832041 [0,1,0,1,0,0|1,1,0]=4 20678 B18R3.422386 Fc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100009832041_100000745022 [0,1,0,1,0,0|1,1,0]=4 20679 B18R3.422386 Fc1c(ccc2c1nccc2)SCC3CC3 62a_100000756562_100010751467 [0,1,0,1,0,0|1,1,0]=4 20680 B18R3.422386 Fc1c(ccc2c1nccc2)SCC3CC3 62a_100010751467_100000742324 [0,1,0,1,0,0|1,1,0]=4 20681 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CC3 34a_100000041551_100000742324 [0,1,0,1,0,0|0,0,0]=2 20682 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CC3 7a_100000041551_100000742324 [0,1,0,1,0,0|0,0,0]=2 20683 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CO3 34a_100000041551_102125554688 [0,1,0,1,0,0|1,0,0]=3 20684 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CO3 7a_100000041551_102125554688 [0,1,0,1,0,0|1,0,0]=3 20685 B18R3.422386 Ic1c(ccc2c1cccc2)OCC3CS3 7a_100000041551_100000031435 [0,1,0,1,0,0|1,0,0]=3 20686 B18R3.422386 Ic1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100000041551_100000745022 [0,1,0,1,0,0|1,0,0]=3 20687 B18R3.422386 Nc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_100009817101 [0,1,0,1,0,0|1,0,1]=4 20688 B18R3.422386 Nc1c(ccc2c1cccc2)C=CC3CC3 271570a_100102526188_100009817101 [0,1,0,1,0,0|1,0,1]=4 20689 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CC3 34a_100000007056_100000742324 [0,1,0,1,0,0|0,0,0]=2 20690 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CC3 7a_100000007056_100000742324 [0,1,0,1,0,0|0,0,0]=2 20691 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CO3 34a_100000007056_102125554688 [0,1,0,1,0,0|1,0,0]=3 20692 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CO3 7a_100000007056_102125554688 [0,1,0,1,0,0|1,0,0]=3 20693 B18R3.422386 Nc1c(ccc2c1cccc2)OCC3CS3 7a_100000007056_100000031435 [0,1,0,1,0,0|1,0,0]=3 20694 B18R3.422386 Nc1c(ccc2c1cccc2)OC[C@@H]3CO3 7a_100000007056_100000745022 [0,1,0,1,0,0|1,0,0]=3 20695 B18R3.422386 Nc1c(ccc2c1cccc2)SCC3CC3 62a_100009817101_100000742324 [0,1,0,1,0,0|0,1,0]=3 20696 B18R3.422386 Nc1c(ccc2c1cccc2)SCC3CO3 62a_100009817101_102125554688 [0,1,0,1,0,0|1,1,0]=4 20697 B18R3.422386 Nc1c(ccc2c1cccc2)SCC3CS3 62a_100009817101_100000031435 [0,1,0,1,0,0|1,1,0]=4 20698 B18R3.422386 Nc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100009817101_100000745022 [0,1,0,1,0,0|1,1,0]=4 20699 B18R3.422386 Nc1c(ccc2c1cccn2)SCC3CC3 62a_200010235790_100000742324 [0,1,0,1,0,0|1,1,0]=4 20700 B18R3.422386 Nc1c(ccc2c1ccnc2)SCC3CC3 62a_100000756562_100010191621 [0,1,0,1,0,0|1,1,0]=4 20701 B18R3.422386 Nc1c(ccc2c1ccnc2)SCC3CC3 62a_100010191621_100000742324 [0,1,0,1,0,0|1,1,0]=4 20702 B18R3.422386 Nc1c(cnc2c1cccc2)SCC3CC3 62a_100000756562_100009995562 [0,1,0,1,0,0|1,1,0]=4 20703 B18R3.422386 Nc1c(cnc2c1cccc2)SCC3CC3 62a_100009995562_100000742324 [0,1,0,1,0,0|1,1,0]=4 20704 B18R3.422386 Nc1c(ncc2c1cccc2)SCC3CC3 62a_100000756562_100000087573 [0,1,0,1,0,0|1,1,0]=4 20705 B18R3.422386 Nc1c(ncc2c1cccc2)SCC3CC3 62a_100009995564_100000742324 [0,1,0,1,0,0|1,1,0]=4 20706 B18R3.422386 O=c1c(c[nH]c2c1cccc2)SCC3CC3 62a_100000756562_100012348052 [0,1,0,1,0,0|1,1,0]=4 20707 B18R3.422386 O=c1c(coc2c1cccc2)SCC3CC3 62a_100000756562_100009813851 [0,1,0,1,0,0|1,1,0]=4 20708 B18R3.422386 Oc1c(ccc2c1cccc2)C#CC3CC3 271570a_200009880635_100009996032 [0,1,0,1,0,0|1,0,1]=4 20709 B18R3.422386 Oc1c(ccc2c1cccc2)C=CC3CC3 271570a_100102526188_100009996032 [0,1,0,1,0,0|1,0,1]=4 20710 B18R3.422386 Oc1c(ccc2c1cccc2)NCC3CC3 34a_100000007060_100000742324 [0,1,0,1,0,0|1,0,0]=3 20711 B18R3.422386 Oc1c(ccc2c1cccc2)NCC3CO3 34a_100000007060_102125554688 [0,1,0,1,0,0|2,0,0]=4 20712 B18R3.422386 Oc1c(ccc2c1cccc2)SCC3CC3 62a_100000756562_100009996032 [0,1,0,1,0,0|0,1,0]=3 20713 B18R3.422386 Oc1c(ccc2c1cccc2)SCC3CO3 62a_102125554688_100009996032 [0,1,0,1,0,0|1,1,0]=4 20714 B18R3.422386 Oc1c(ccc2c1cccc2)SCC3CS3 62a_100000031435_100009996032 [0,1,0,1,0,0|1,1,0]=4 20715 B18R3.422386 Oc1c(ccc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100009996032 [0,1,0,1,0,0|1,1,0]=4 20716 B18R3.422386 Oc1c(ccc2c1nccc2)SCC3CC3 62a_100000756562_100009816563 [0,1,0,1,0,0|1,1,0]=4 20717 B18R3.228675 C(=NNC1CC1)c2ccc3ccccc3c2 4a_100000701032_100000211584 [0,1,0,1,0,0|2,0,0]=4 20718 B18R3.228675 C(=NNc1ccc2ccccc2c1)C3CC3 4a_100016987534_100000741477 [0,1,0,1,0,0|1,0,1]=4 20719 B18R3.228675 c1cc2cc(ccc2cn1)CNCC3CC3 207a_100000735609_100000068276 [0,1,0,1,0,0|2,0,0]=4 20720 B18R3.228675 c1cc2cc(ccc2cn1)CNCC3CC3 2230a_100000735609_100020605334 [0,1,0,1,0,0|2,0,0]=4 20721 B18R3.228675 c1cc2cc(ccc2cn1)CNCC3CC3 270004a_100000735609_100000068276 [0,1,0,1,0,0|2,0,0]=4 20722 B18R3.228675 c1cc2cc(ccc2cn1)CNCC3CC3 34a_100000735609_100020605334 [0,1,0,1,0,0|2,0,0]=4 20723 B18R3.228675 c1cc2cc(ccc2cn1)COCC3CC3 34a_100000211283_100020605334 [0,1,0,1,0,0|1,0,0]=3 20724 B18R3.228675 c1cc2cc(ccc2cn1)COC[C@@H]3CO3 34a_100000757423_100020605334 [0,1,0,1,0,0|2,0,0]=4 20725 B18R3.228675 c1cc2cc(ccc2cn1)CSCC3CC3 62a_100000756562_100020605334 [0,1,0,1,0,0|1,1,0]=4 20726 B18R3.228675 c1cc2cc(ccc2cn1)CSCC3CC3 62a_100020605334_100000742324 [0,1,0,1,0,0|1,1,0]=4 20727 B18R3.228675 c1cc2cc(ccc2cn1)NCCC3CC3 34a_100000039641_100000694398 [0,1,0,1,0,0|2,0,0]=4 20728 B18R3.228675 c1cc2cc(ccc2cn1)NCCC3CO3 34a_100000039641_100000732470 [0,1,0,1,0,0|2,0,0]=4 20729 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CC3 34a_100000046372_100000694398 [0,1,0,1,0,0|1,0,0]=3 20730 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CC3 7a_100000046372_100000764125 [0,1,0,1,0,0|1,0,0]=3 20731 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CO3 34a_100000046372_100000732470 [0,1,0,1,0,0|1,0,0]=3 20732 B18R3.228675 c1cc2cc(ccc2cn1)OCCC3CO3 7a_100000046372_100000732470 [0,1,0,1,0,0|1,0,0]=3 20733 B18R3.228675 c1cc2cc(ccc2cn1)SCCC3CC3 62a_100000764125_100009816743 [0,1,0,1,0,0|1,1,0]=4 20734 B18R3.228675 c1cc2cc(ccc2cn1)SCCC3CC3 62a_100009816743_100000764125 [0,1,0,1,0,0|1,1,0]=4 20735 B18R3.228675 c1cc2cc(ccc2cn1)SCCC3CO3 62a_100000732470_100009816743 [0,1,0,1,0,0|1,1,0]=4 20736 B18R3.228675 c1cc2cc(ccc2cn1)SCCC3CO3 62a_100009816743_100000732470 [0,1,0,1,0,0|1,1,0]=4 20737 B18R3.228675 c1cc2ccc(cc2cn1)OCCC3CC3 7a_100000752006_100000764125 [0,1,0,1,0,0|1,0,0]=3 20738 B18R3.228675 c1cc2ccc(cc2cn1)OCCC3CO3 7a_100000752006_100000732470 [0,1,0,1,0,0|1,0,0]=3 20739 B18R3.228675 c1cc2ccc(cc2cn1)SCCC3CC3 62a_100000686496_100000764125 [0,1,0,1,0,0|1,1,0]=4 20740 B18R3.228675 c1cc2ccc(cc2cn1)SCCC3CC3 62a_100000764125_100000686496 [0,1,0,1,0,0|1,1,0]=4 20741 B18R3.228675 c1cc2ccc(cc2cn1)SCCC3CO3 62a_100000686496_100000732470 [0,1,0,1,0,0|1,1,0]=4 20742 B18R3.228675 c1cc2ccc(cc2cn1)SCCC3CO3 62a_100000732470_100000686496 [0,1,0,1,0,0|1,1,0]=4 20743 B18R3.228675 c1ccc2cc(ccc2c1)CCNC3CC3 34a_100000746582_100000211595 [0,1,0,1,0,0|1,0,0]=3 20744 B18R3.228675 c1ccc2cc(ccc2c1)CCOC3CC3 34a_100000755654_100000211595 [0,1,0,1,0,0|1,0,0]=3 20745 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 207a_100000735609_100000211584 [0,1,0,1,0,0|1,0,0]=3 20746 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 2230a_100000735609_100011216711 [0,1,0,1,0,0|1,0,0]=3 20747 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 2230a_100000739491_100000742324 [0,1,0,1,0,0|1,0,0]=3 20748 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 269862a_100000739491_100000741477 [0,1,0,1,0,0|1,0,0]=3 20749 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 270004a_100000735609_100000211584 [0,1,0,1,0,0|1,0,0]=3 20750 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 34a_100000735609_100011216711 [0,1,0,1,0,0|1,0,0]=3 20751 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CC3 34a_100000739491_100000742324 [0,1,0,1,0,0|1,0,0]=3 20752 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CO3 2230a_100000739491_100011216344 [0,1,0,1,0,0|2,0,0]=4 20753 B18R3.228675 c1ccc2cc(ccc2c1)CNCC3CO3 34a_100000739491_102125554688 [0,1,0,1,0,0|2,0,0]=4 20754 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CC3 34a_100000211283_100011216711 [0,1,0,1,0,0|0,0,0]=2 20755 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CC3 34a_100011215330_100000742324 [0,1,0,1,0,0|0,0,0]=2 20756 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CC3 7a_100011215330_100000742324 [0,1,0,1,0,0|0,0,0]=2 20757 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CO3 34a_100011215330_102125554688 [0,1,0,1,0,0|1,0,0]=3 20758 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CO3 7a_100011215330_102125554688 [0,1,0,1,0,0|1,0,0]=3 20759 B18R3.228675 c1ccc2cc(ccc2c1)COCC3CS3 7a_100011215330_100000031435 [0,1,0,1,0,0|1,0,0]=3 20760 B18R3.228675 c1ccc2cc(ccc2c1)COC[C@@H]3CO3 34a_100000757423_100011216711 [0,1,0,1,0,0|1,0,0]=3 20761 B18R3.228675 c1ccc2cc(ccc2c1)COC[C@@H]3CO3 7a_100011215330_100000745022 [0,1,0,1,0,0|1,0,0]=3 20762 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CC3 62a_100000756562_100011216711 [0,1,0,1,0,0|0,1,0]=3 20763 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CC3 62a_100011216711_100000742324 [0,1,0,1,0,0|0,1,0]=3 20764 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CO3 62a_100011216711_102125554688 [0,1,0,1,0,0|1,1,0]=4 20765 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CO3 62a_102125554688_100011216711 [0,1,0,1,0,0|1,1,0]=4 20766 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CS3 62a_100000031435_100011216711 [0,1,0,1,0,0|1,1,0]=4 20767 B18R3.228675 c1ccc2cc(ccc2c1)CSCC3CS3 62a_100011216711_100000031435 [0,1,0,1,0,0|1,1,0]=4 20768 B18R3.228675 c1ccc2cc(ccc2c1)CSC[C@@H]3CO3 62a_100000745022_100011216711 [0,1,0,1,0,0|1,1,0]=4 20769 B18R3.228675 c1ccc2cc(ccc2c1)CSC[C@@H]3CO3 62a_100011216711_100000745022 [0,1,0,1,0,0|1,1,0]=4 20770 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CC3 34a_100000211940_100000694398 [0,1,0,1,0,0|1,0,0]=3 20771 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CC3 7a_100000211940_100000764125 [0,1,0,1,0,0|1,0,0]=3 20772 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CO3 34a_100000211940_100000732470 [0,1,0,1,0,0|1,0,0]=3 20773 B18R3.228675 c1ccc2cc(ccc2c1)NCCC3CO3 7a_100000211940_100000732470 [0,1,0,1,0,0|1,0,0]=3 20774 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CC3 34a_100000185828_100000694398 [0,1,0,1,0,0|0,0,0]=2 20775 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CC3 7a_100000185828_100000764125 [0,1,0,1,0,0|0,0,0]=2 20776 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CO3 34a_100000185828_100000732470 [0,1,0,1,0,0|0,0,0]=2 20777 B18R3.228675 c1ccc2cc(ccc2c1)OCCC3CO3 7a_100000185828_100000732470 [0,1,0,1,0,0|0,0,0]=2 20778 B18R3.228675 c1ccc2cc(ccc2c1)SCCC3CC3 62a_100000764125_100000233703 [0,1,0,1,0,0|0,1,0]=3 20779 B18R3.228675 c1ccc2cc(ccc2c1)SCCC3CO3 62a_100000732470_100000233703 [0,1,0,1,0,0|0,1,0]=3 20780 B18R3.228675 c1ccc2cc(ncc2c1)CNCC3CC3 207a_100000735609_100000059776 [0,1,0,1,0,0|2,0,0]=4 20781 B18R3.228675 c1ccc2cc(ncc2c1)CNCC3CC3 2230a_100000735609_100009869231 [0,1,0,1,0,0|2,0,0]=4 20782 B18R3.228675 c1ccc2cc(ncc2c1)CNCC3CC3 270004a_100000735609_100000059776 [0,1,0,1,0,0|2,0,0]=4 20783 B18R3.228675 c1ccc2cc(ncc2c1)CNCC3CC3 34a_100000735609_100009869231 [0,1,0,1,0,0|2,0,0]=4 20784 B18R3.228675 c1ccc2cc(ncc2c1)COCC3CC3 34a_100000211283_100009869231 [0,1,0,1,0,0|1,0,0]=3 20785 B18R3.228675 c1ccc2cc(ncc2c1)COC[C@@H]3CO3 34a_100000757423_100009869231 [0,1,0,1,0,0|2,0,0]=4 20786 B18R3.228675 c1ccc2cc(ncc2c1)CSCC3CC3 62a_100000756562_100009869231 [0,1,0,1,0,0|1,1,0]=4 20787 B18R3.228675 c1ccc2cc(ncc2c1)CSCC3CC3 62a_100009869231_100000742324 [0,1,0,1,0,0|1,1,0]=4 20788 B18R3.228675 c1ccc2cc(ncc2c1)SCCC3CC3 62a_100000764125_100000047361 [0,1,0,1,0,0|1,1,0]=4 20789 B18R3.228675 c1ccc2cc(ncc2c1)SCCC3CC3 62a_100009816522_100000764125 [0,1,0,1,0,0|1,1,0]=4 20790 B18R3.228675 c1ccc2cc(ncc2c1)SCCC3CO3 62a_100000732470_100000047361 [0,1,0,1,0,0|1,1,0]=4 20791 B18R3.228675 c1ccc2cc(ncc2c1)SCCC3CO3 62a_100009816522_100000732470 [0,1,0,1,0,0|1,1,0]=4 20792 B18R3.228675 c1ccc2nc(ccc2c1)CCOC3CC3 34a_100011996444_100000211595 [0,1,0,1,0,0|2,0,0]=4 20793 B18R3.228675 c1ccc2nc(ccc2c1)CNCC3CC3 207a_100000735609_100000759686 [0,1,0,1,0,0|2,0,0]=4 20794 B18R3.228675 c1ccc2nc(ccc2c1)CNCC3CC3 2230a_100000735609_100000737579 [0,1,0,1,0,0|2,0,0]=4 20795 B18R3.228675 c1ccc2nc(ccc2c1)CNCC3CC3 270004a_100000735609_100000759686 [0,1,0,1,0,0|2,0,0]=4 20796 B18R3.228675 c1ccc2nc(ccc2c1)CNCC3CC3 34a_100000735609_100000737579 [0,1,0,1,0,0|2,0,0]=4 20797 B18R3.228675 c1ccc2nc(ccc2c1)COCC3CC3 34a_100000211283_100000737579 [0,1,0,1,0,0|1,0,0]=3 20798 B18R3.228675 c1ccc2nc(ccc2c1)COC[C@@H]3CO3 34a_100000757423_100000737579 [0,1,0,1,0,0|2,0,0]=4 20799 B18R3.228675 c1ccc2nc(ccc2c1)CSCC3CC3 62a_100000737579_100000742324 [0,1,0,1,0,0|1,1,0]=4 20800 B18R3.228675 c1ccc2nc(ccc2c1)CSCC3CC3 62a_100000756562_100000737579 [0,1,0,1,0,0|1,1,0]=4 20801 B18R3.228675 c1ccc2nc(ccc2c1)NCCC3CC3 27a_100000764129_100011291633 [0,1,0,1,0,0|2,0,0]=4 20802 B18R3.228675 c1ccc2nc(ccc2c1)SCCC3CC3 62a_100000764125_100011291633 [0,1,0,1,0,0|1,1,0]=4 20803 B18R3.228675 c1ccc2nc(ccc2c1)SCCC3CC3 62a_100011291633_100000764125 [0,1,0,1,0,0|1,1,0]=4 20804 B18R3.228675 c1ccc2nc(ccc2c1)SCCC3CO3 62a_100000732470_100011291633 [0,1,0,1,0,0|1,1,0]=4 20805 B18R3.228675 c1ccc2nc(ccc2c1)SCCC3CO3 62a_100011291633_100000732470 [0,1,0,1,0,0|1,1,0]=4 20806 B18R3.228675 c1ccc2nc(ncc2c1)COCC3CC3 34a_100000211283_100009868571 [0,1,0,1,0,0|2,0,0]=4 20807 B18R3.228675 c1ccc2ncc(cc2c1)CNCC3CC3 207a_100000735609_100000750898 [0,1,0,1,0,0|2,0,0]=4 20808 B18R3.228675 c1ccc2ncc(cc2c1)CNCC3CC3 269862a_100000742225_100000741477 [0,1,0,1,0,0|2,0,0]=4 20809 B18R3.228675 c1ccc2ncc(cc2c1)CNCC3CC3 270004a_100000735609_100000750898 [0,1,0,1,0,0|2,0,0]=4 20810 B18R3.228675 c1ccc2ncc(cc2c1)CNCC3CC3 34a_100000742225_100000742324 [0,1,0,1,0,0|2,0,0]=4 20811 B18R3.228675 c1ccc2ncc(cc2c1)COCC3CC3 34a_100011258773_100000742324 [0,1,0,1,0,0|1,0,0]=3 20812 B18R3.228675 c1ccc2ncc(cc2c1)COCC3CO3 34a_100011258773_102125554688 [0,1,0,1,0,0|2,0,0]=4 20813 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CC3 34a_100011934006_100000694398 [0,1,0,1,0,0|1,0,0]=3 20814 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CC3 7a_100011934006_100000764125 [0,1,0,1,0,0|1,0,0]=3 20815 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CO3 34a_100011934006_100000732470 [0,1,0,1,0,0|1,0,0]=3 20816 B18R3.228675 c1ccc2ncc(cc2c1)OCCC3CO3 7a_100011934006_100000732470 [0,1,0,1,0,0|1,0,0]=3 20817 B18R3.228675 c1ccc2ncc(cc2c1)SCCC3CC3 62a_100000764125_100000737414 [0,1,0,1,0,0|1,1,0]=4 20818 B18R3.228675 c1ccc2ncc(cc2c1)SCCC3CO3 62a_100000732470_100000737414 [0,1,0,1,0,0|1,1,0]=4 20819 B18R3.228675 c1cnc2cc(ccc2c1)CNCC3CC3 207a_100000735609_100011784159 [0,1,0,1,0,0|2,0,0]=4 20820 B18R3.228675 c1cnc2cc(ccc2c1)CNCC3CC3 270004a_100000735609_100011784159 [0,1,0,1,0,0|2,0,0]=4 20821 B18R3.228675 c1cnc2cc(ccc2c1)NCCC3CC3 34a_100102887122_100000694398 [0,1,0,1,0,0|2,0,0]=4 20822 B18R3.228675 c1cnc2cc(ccc2c1)NCCC3CO3 34a_100102887122_100000732470 [0,1,0,1,0,0|2,0,0]=4 20823 B18R3.228675 c1cnc2cc(ccc2c1)OCCC3CC3 34a_100011216045_100000694398 [0,1,0,1,0,0|1,0,0]=3 20824 B18R3.228675 c1cnc2cc(ccc2c1)OCCC3CO3 34a_100011216045_100000732470 [0,1,0,1,0,0|1,0,0]=3 20825 B18R3.228675 c1cnc2cc(ccc2c1)SCCC3CC3 62a_100000764125_100009816655 [0,1,0,1,0,0|1,1,0]=4 20826 B18R3.228675 c1cnc2cc(ccc2c1)SCCC3CO3 62a_100000732470_100009816655 [0,1,0,1,0,0|1,1,0]=4 20827 B18R3.228675 c1cnc2cc(ccc2n1)OCCC3CC3 34a_100000694412_100000694398 [0,1,0,1,0,0|2,0,0]=4 20828 B18R3.228675 c1cnc2cc(ccc2n1)OCCC3CO3 34a_100000694412_100000732470 [0,1,0,1,0,0|2,0,0]=4 20829 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 207a_100000735609_100000211315 [0,1,0,1,0,0|2,0,0]=4 20830 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 2230a_100000735609_100000703657 [0,1,0,1,0,0|2,0,0]=4 20831 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 269862a_100000238500_100000741477 [0,1,0,1,0,0|2,0,0]=4 20832 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 270004a_100000735609_100000211315 [0,1,0,1,0,0|2,0,0]=4 20833 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 34a_100000238500_100000742324 [0,1,0,1,0,0|2,0,0]=4 20834 B18R3.228675 c1cnc2ccc(cc2c1)CNCC3CC3 34a_100000735609_100000703657 [0,1,0,1,0,0|2,0,0]=4 20835 B18R3.228675 c1cnc2ccc(cc2c1)COCC3CC3 34a_100000211283_100000703657 [0,1,0,1,0,0|1,0,0]=3 20836 B18R3.228675 c1cnc2ccc(cc2c1)COCC3CC3 34a_100011315636_100000742324 [0,1,0,1,0,0|1,0,0]=3 20837 B18R3.228675 c1cnc2ccc(cc2c1)COCC3CO3 34a_100011315636_102125554688 [0,1,0,1,0,0|2,0,0]=4 20838 B18R3.228675 c1cnc2ccc(cc2c1)COC[C@@H]3CO3 34a_100000757423_100000703657 [0,1,0,1,0,0|2,0,0]=4 20839 B18R3.228675 c1cnc2ccc(cc2c1)CSCC3CC3 62a_100000703657_100000742324 [0,1,0,1,0,0|1,1,0]=4 20840 B18R3.228675 c1cnc2ccc(cc2c1)CSCC3CC3 62a_100000756562_100000703657 [0,1,0,1,0,0|1,1,0]=4 20841 B18R3.228675 c1cnc2ccc(cc2c1)NCCC3CC3 34a_100011198106_100000694398 [0,1,0,1,0,0|2,0,0]=4 20842 B18R3.228675 c1cnc2ccc(cc2c1)NCCC3CO3 34a_100011198106_100000732470 [0,1,0,1,0,0|2,0,0]=4 20843 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CC3 34a_100011215586_100000694398 [0,1,0,1,0,0|1,0,0]=3 20844 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CC3 7a_100011215586_100000764125 [0,1,0,1,0,0|1,0,0]=3 20845 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CO3 34a_100011215586_100000732470 [0,1,0,1,0,0|1,0,0]=3 20846 B18R3.228675 c1cnc2ccc(cc2c1)OCCC3CO3 7a_100011215586_100000732470 [0,1,0,1,0,0|1,0,0]=3 20847 B18R3.228675 c1cnc2ccc(cc2c1)SCCC3CC3 62a_100000764125_100011215947 [0,1,0,1,0,0|1,1,0]=4 20848 B18R3.228675 c1cnc2ccc(cc2c1)SCCC3CC3 62a_100011215947_100000764125 [0,1,0,1,0,0|1,1,0]=4 20849 B18R3.228675 c1cnc2ccc(cc2c1)SCCC3CO3 62a_100000732470_100011215947 [0,1,0,1,0,0|1,1,0]=4 20850 B18R3.228675 c1cnc2ccc(cc2c1)SCCC3CO3 62a_100011215947_100000732470 [0,1,0,1,0,0|1,1,0]=4 20851 B18R3.151612 CNC1CCCc2c1c3c(cc2)cccc3 269862a_106832991636_100000061332 [0,1,0,1,0,0|1,0,0]=3 20852 B18R3.6548 Cc1cc(nc2c1cccc2)N3CCCC3 27a_100000188435_100000184993 [0,1,0,1,0,0|2,0,0]=4 20853 B18R3.6548 Fc1cc(cc2c1cncc2)N3CCCC3 27a_100000188435_100011068762 [0,1,0,1,0,0|2,0,0]=4 20854 B18R3.6548 Nc1cc(cc2c1cccc2)C3=CCCC3 271570a_100000089523_100010171453 [0,1,0,1,0,0|1,0,1]=4 20855 B18R3.6548 Oc1cc(cc2c1cccc2)C3=CCCC3 271570a_100000089523_100010089979 [0,1,0,1,0,0|1,0,1]=4 20856 B18R3.7005 CC1CCN1c2cc(c3cnccc3c2)F 27a_100000755817_100011068762 [0,1,0,1,0,0|2,0,0]=4 20857 B18R3.7005 Cc1cc(nc2c1cccc2)N3CCC3C 27a_100000755817_100000184993 [0,1,0,1,0,0|2,0,0]=4 20858 B18R3.100898 Brc1cc(cc2c1cccc2)CN3CCC3 26a_100000754969_100010001680 [0,1,0,1,0,0|2,0,0]=4 20859 B18R3.100898 Brc1cc(cc2c1cccc2)NC3CCC3 34a_100010089974_100000749161 [0,1,0,1,0,0|1,0,0]=3 20860 B18R3.100898 Brc1cc(cc2c1cccc2)NC3COC3 34a_100010089974_100009818527 [0,1,0,1,0,0|2,0,0]=4 20861 B18R3.100898 Brc1cc(cc2c1cccc2)NC3COC3 7a_100010089974_100009818527 [0,1,0,1,0,0|2,0,0]=4 20862 B18R3.100898 Brc1cc(cc2c1cccc2)OC3CCC3 34a_100010001680_100000749161 [0,1,0,1,0,0|0,0,0]=2 20863 B18R3.100898 Brc1cc(cc2c1cccc2)OC3COC3 34a_100010001680_100009818527 [0,1,0,1,0,0|1,0,0]=3 20864 B18R3.100898 Brc1cc(cc2c1cccc2)OC3COC3 7a_100010001680_100009818527 [0,1,0,1,0,0|1,0,0]=3 20865 B18R3.100898 Brc1cc(cc2c1cncc2)OC3CCC3 34a_100011009069_100000749161 [0,1,0,1,0,0|1,0,0]=3 20866 B18R3.100898 Brc1cc(cc2c1cncc2)OC3COC3 34a_100011009069_100009818527 [0,1,0,1,0,0|2,0,0]=4 20867 B18R3.100898 Brc1cc(cc2c1cncc2)OC3COC3 7a_100011009069_100009818527 [0,1,0,1,0,0|2,0,0]=4 20868 B18R3.100898 Cc1cc(nc2c1cccc2)NC3CCC3 27a_100000749019_100000184993 [0,1,0,1,0,0|2,0,0]=4 20869 B18R3.100898 Cc1cc(nc2c1cccc2)SC3CCC3 62a_100012354972_100000749161 [0,1,0,1,0,0|1,1,0]=4 20870 B18R3.100898 Clc1cc(cc2c1nccc2)NC3CCC3 34a_200009830422_100000749161 [0,1,0,1,0,0|2,0,0]=4 20871 B18R3.100898 Clc1cc(cc2c1nccc2)OC3CCC3 34a_100000097192_100000749161 [0,1,0,1,0,0|1,0,0]=3 20872 B18R3.100898 Clc1cc(cc2c1nccc2)OC3COC3 34a_100000097192_100009818527 [0,1,0,1,0,0|2,0,0]=4 20873 B18R3.100898 Clc1cc(cc2c1nccc2)OC3COC3 7a_100000097192_100009818527 [0,1,0,1,0,0|2,0,0]=4 20874 B18R3.100898 Fc1cc(cc2c1cncc2)NC3CCC3 27a_100000749019_100011068762 [0,1,0,1,0,0|2,0,0]=4 20875 B18R3.100898 Fc1cc(cc2c1cncc2)SC3CCC3 62a_100011068762_100000749161 [0,1,0,1,0,0|1,1,0]=4 20876 B18R3.100898 Fc1cc(cc2c1nccc2)OC3CCC3 34a_100009888031_100000749161 [0,1,0,1,0,0|1,0,0]=3 20877 B18R3.100898 Fc1cc(cc2c1nccc2)OC3COC3 34a_100009888031_100009818527 [0,1,0,1,0,0|2,0,0]=4 20878 B18R3.100898 Fc1cc(cc2c1nccc2)OC3COC3 7a_100009888031_100009818527 [0,1,0,1,0,0|2,0,0]=4 20879 B18R3.100898 Fc1cc(cc2c1nccc2)SC3CCC3 62a_100010234705_100000749161 [0,1,0,1,0,0|1,1,0]=4 20880 B18R3.100898 Nc1cc(cc2c1cccc2)SC3CCC3 62a_100010171453_100000749161 [0,1,0,1,0,0|0,1,0]=3 20881 B18R3.100898 Nc1cc(cc2c1cccc2)SC3COC3 62a_100010171453_100009818527 [0,1,0,1,0,0|1,1,0]=4 20882 B18R3.100898 Nc1cc(cc2c1cccn2)SC3CCC3 62a_200010263263_100000749161 [0,1,0,1,0,0|1,1,0]=4 20883 B18R3.100898 Nc1cc(cc2c1nccc2)OC3CCC3 34a_100000083691_100000749161 [0,1,0,1,0,0|1,0,0]=3 20884 B18R3.100898 Nc1cc(cc2c1nccc2)OC3COC3 34a_100000083691_100009818527 [0,1,0,1,0,0|2,0,0]=4 20885 B18R3.100898 Nc1cc(nc2c1cccc2)SC3CCC3 62a_100010197925_100000749161 [0,1,0,1,0,0|1,1,0]=4 20886 B18R3.100898 Nc1nc(cc2c1cccc2)SC3CCC3 62a_100009957331_100000749161 [0,1,0,1,0,0|1,1,0]=4 20887 B18R3.100898 O=c1cc(nc2n1cccc2)OC3CCC3 34a_100000751361_100000749161 [0,1,0,1,0,0|2,0,0]=4 20888 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CC3 34a_100010089974_100000742324 [0,1,0,1,0,0|1,0,0]=3 20889 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CC3 7a_100010089974_100000742324 [0,1,0,1,0,0|1,0,0]=3 20890 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CO3 34a_100010089974_102125554688 [0,1,0,1,0,0|2,0,0]=4 20891 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CO3 7a_100010089974_102125554688 [0,1,0,1,0,0|2,0,0]=4 20892 B18R3.100899 Brc1cc(cc2c1cccc2)NCC3CS3 7a_100010089974_100000031435 [0,1,0,1,0,0|2,0,0]=4 20893 B18R3.100899 Brc1cc(cc2c1cccc2)NC[C@@H]3CO3 7a_100010089974_100000745022 [0,1,0,1,0,0|2,0,0]=4 20894 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CC3 34a_100010001680_100000742324 [0,1,0,1,0,0|0,0,0]=2 20895 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CC3 7a_100010001680_100000742324 [0,1,0,1,0,0|0,0,0]=2 20896 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CO3 34a_100010001680_102125554688 [0,1,0,1,0,0|1,0,0]=3 20897 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CO3 7a_100010001680_102125554688 [0,1,0,1,0,0|1,0,0]=3 20898 B18R3.100899 Brc1cc(cc2c1cccc2)OCC3CS3 7a_100010001680_100000031435 [0,1,0,1,0,0|1,0,0]=3 20899 B18R3.100899 Brc1cc(cc2c1cccc2)OC[C@@H]3CO3 7a_100010001680_100000745022 [0,1,0,1,0,0|1,0,0]=3 20900 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CC3 34a_100011009069_100000742324 [0,1,0,1,0,0|1,0,0]=3 20901 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CC3 7a_100011009069_100000742324 [0,1,0,1,0,0|1,0,0]=3 20902 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CO3 34a_100011009069_102125554688 [0,1,0,1,0,0|2,0,0]=4 20903 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CO3 7a_100011009069_102125554688 [0,1,0,1,0,0|2,0,0]=4 20904 B18R3.100899 Brc1cc(cc2c1cncc2)OCC3CS3 7a_100011009069_100000031435 [0,1,0,1,0,0|2,0,0]=4 20905 B18R3.100899 Brc1cc(cc2c1cncc2)OC[C@@H]3CO3 7a_100011009069_100000745022 [0,1,0,1,0,0|2,0,0]=4 20906 B18R3.100899 Cc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_100010130319 [0,1,0,1,0,0|1,1,0]=4 20907 B18R3.100899 Cc1cc(nc2c1cccc2)NCC3CC3 27a_100000735609_100000184993 [0,1,0,1,0,0|2,0,0]=4 20908 B18R3.100899 Cc1cc(nc2c1cccc2)SCC3CC3 62a_100000756562_100000184993 [0,1,0,1,0,0|1,1,0]=4 20909 B18R3.100899 Cc1cc(nc2c1cccc2)SCC3CC3 62a_100012354972_100000742324 [0,1,0,1,0,0|1,1,0]=4 20910 B18R3.100899 Clc1cc(cc2c1nccc2)NCC3CC3 34a_200009830422_100000742324 [0,1,0,1,0,0|2,0,0]=4 20911 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CC3 34a_100000097192_100000742324 [0,1,0,1,0,0|1,0,0]=3 20912 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CC3 7a_100000097192_100000742324 [0,1,0,1,0,0|1,0,0]=3 20913 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CO3 34a_100000097192_102125554688 [0,1,0,1,0,0|2,0,0]=4 20914 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CO3 7a_100000097192_102125554688 [0,1,0,1,0,0|2,0,0]=4 20915 B18R3.100899 Clc1cc(cc2c1nccc2)OCC3CS3 7a_100000097192_100000031435 [0,1,0,1,0,0|2,0,0]=4 20916 B18R3.100899 Clc1cc(cc2c1nccc2)OC[C@@H]3CO3 7a_100000097192_100000745022 [0,1,0,1,0,0|2,0,0]=4 20917 B18R3.100899 Clc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_200010369337 [0,1,0,1,0,0|1,1,0]=4 20918 B18R3.100899 Fc1cc(cc2c1cncc2)NCC3CC3 27a_100000735609_100011068762 [0,1,0,1,0,0|2,0,0]=4 20919 B18R3.100899 Fc1cc(cc2c1cncc2)SCC3CC3 62a_100000756562_100011068762 [0,1,0,1,0,0|1,1,0]=4 20920 B18R3.100899 Fc1cc(cc2c1cncc2)SCC3CC3 62a_100011068762_100000742324 [0,1,0,1,0,0|1,1,0]=4 20921 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CC3 34a_100009888031_100000742324 [0,1,0,1,0,0|1,0,0]=3 20922 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CC3 7a_100009888031_100000742324 [0,1,0,1,0,0|1,0,0]=3 20923 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CO3 34a_100009888031_102125554688 [0,1,0,1,0,0|2,0,0]=4 20924 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CO3 7a_100009888031_102125554688 [0,1,0,1,0,0|2,0,0]=4 20925 B18R3.100899 Fc1cc(cc2c1nccc2)OCC3CS3 7a_100009888031_100000031435 [0,1,0,1,0,0|2,0,0]=4 20926 B18R3.100899 Fc1cc(cc2c1nccc2)OC[C@@H]3CO3 7a_100009888031_100000745022 [0,1,0,1,0,0|2,0,0]=4 20927 B18R3.100899 Fc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_100010234705 [0,1,0,1,0,0|1,1,0]=4 20928 B18R3.100899 Fc1cc(cc2c1nccc2)SCC3CC3 62a_100010234705_100000742324 [0,1,0,1,0,0|1,1,0]=4 20929 B18R3.100899 Nc1cc(cc2c1cccc2)C#CC3CC3 271570a_200009880635_100010171453 [0,1,0,1,0,0|1,0,1]=4 20930 B18R3.100899 Nc1cc(cc2c1cccc2)C=CC3CC3 271570a_100102526188_100010171453 [0,1,0,1,0,0|1,0,1]=4 20931 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CC3 62a_100000756562_100010171453 [0,1,0,1,0,0|0,1,0]=3 20932 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CC3 62a_100010171453_100000742324 [0,1,0,1,0,0|0,1,0]=3 20933 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CO3 62a_100010171453_102125554688 [0,1,0,1,0,0|1,1,0]=4 20934 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CO3 62a_102125554688_100010171453 [0,1,0,1,0,0|1,1,0]=4 20935 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CS3 62a_100000031435_100010171453 [0,1,0,1,0,0|1,1,0]=4 20936 B18R3.100899 Nc1cc(cc2c1cccc2)SCC3CS3 62a_100010171453_100000031435 [0,1,0,1,0,0|1,1,0]=4 20937 B18R3.100899 Nc1cc(cc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100010171453 [0,1,0,1,0,0|1,1,0]=4 20938 B18R3.100899 Nc1cc(cc2c1cccc2)SC[C@@H]3CO3 62a_100010171453_100000745022 [0,1,0,1,0,0|1,1,0]=4 20939 B18R3.100899 Nc1cc(cc2c1cccn2)SCC3CC3 62a_100000756562_200010263263 [0,1,0,1,0,0|1,1,0]=4 20940 B18R3.100899 Nc1cc(cc2c1cccn2)SCC3CC3 62a_200010263263_100000742324 [0,1,0,1,0,0|1,1,0]=4 20941 B18R3.100899 Nc1cc(cc2c1nccc2)OCC3CC3 34a_100000083691_100000742324 [0,1,0,1,0,0|1,0,0]=3 20942 B18R3.100899 Nc1cc(cc2c1nccc2)OCC3CO3 34a_100000083691_102125554688 [0,1,0,1,0,0|2,0,0]=4 20943 B18R3.100899 Nc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_100009814519 [0,1,0,1,0,0|1,1,0]=4 20944 B18R3.100899 Nc1cc(nc2c1cccc2)SCC3CC3 62a_100010197925_100000742324 [0,1,0,1,0,0|1,1,0]=4 20945 B18R3.100899 Nc1nc(cc2c1cccc2)SCC3CC3 62a_100000756562_100009957331 [0,1,0,1,0,0|1,1,0]=4 20946 B18R3.100899 Nc1nc(cc2c1cccc2)SCC3CC3 62a_100009957331_100000742324 [0,1,0,1,0,0|1,1,0]=4 20947 B18R3.100899 O=c1[nH]c(cc2c1cccc2)SCC3CC3 62a_100000756562_200015811170 [0,1,0,1,0,0|1,1,0]=4 20948 B18R3.100899 O=c1cc([nH]c2c1cccc2)SCC3CC3 62a_100000756562_100000090176 [0,1,0,1,0,0|1,1,0]=4 20949 B18R3.100899 O=c1cc(nc2n1cccc2)OCC3CC3 34a_100000751361_100000742324 [0,1,0,1,0,0|2,0,0]=4 20950 B18R3.100899 Oc1cc(cc2c1cccc2)C#CC3CC3 271570a_200009880635_100010089979 [0,1,0,1,0,0|1,0,1]=4 20951 B18R3.100899 Oc1cc(cc2c1cccc2)C=CC3CC3 271570a_100102526188_100010089979 [0,1,0,1,0,0|1,0,1]=4 20952 B18R3.100899 Oc1cc(cc2c1cccc2)SCC3CC3 62a_100000756562_100010089979 [0,1,0,1,0,0|0,1,0]=3 20953 B18R3.100899 Oc1cc(cc2c1cccc2)SCC3CO3 62a_102125554688_100010089979 [0,1,0,1,0,0|1,1,0]=4 20954 B18R3.100899 Oc1cc(cc2c1cccc2)SCC3CS3 62a_100000031435_100010089979 [0,1,0,1,0,0|1,1,0]=4 20955 B18R3.100899 Oc1cc(cc2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100010089979 [0,1,0,1,0,0|1,1,0]=4 20956 B18R3.100899 Oc1cc(cc2c1nccc2)SCC3CC3 62a_100000756562_100010248853 [0,1,0,1,0,0|1,1,0]=4 20957 B18R3.6185 Brc1cc2ccccc2cc1CN3CCC3 26a_100000754969_100009817189 [0,1,0,1,0,0|2,0,0]=4 20958 B18R3.6185 Brc1cc2ccccc2cc1NC3CCC3 34a_100009991566_100000749161 [0,1,0,1,0,0|1,0,0]=3 20959 B18R3.6185 Brc1cc2ccccc2cc1NC3COC3 34a_100009991566_100009818527 [0,1,0,1,0,0|2,0,0]=4 20960 B18R3.6185 Brc1cc2ccccc2cc1NC3COC3 7a_100009991566_100009818527 [0,1,0,1,0,0|2,0,0]=4 20961 B18R3.6185 Brc1cc2ccccc2cc1OC3CCC3 34a_100009817189_100000749161 [0,1,0,1,0,0|0,0,0]=2 20962 B18R3.6185 Brc1cc2ccccc2cc1OC3COC3 34a_100009817189_100009818527 [0,1,0,1,0,0|1,0,0]=3 20963 B18R3.6185 Brc1cc2ccccc2cc1OC3COC3 7a_100009817189_100009818527 [0,1,0,1,0,0|1,0,0]=3 20964 B18R3.6185 Brc1cc2ccccc2cc1SC3COC3 62a_200010169544_100009818527 [0,1,0,1,0,0|1,1,0]=4 20965 B18R3.6185 Brc1cc2ccccc2nc1SC3CCC3 62a_100010072790_100000749161 [0,1,0,1,0,0|1,1,0]=4 20966 B18R3.6185 Brc1cc2ncccc2cc1OC3CCC3 34a_200010153759_100000749161 [0,1,0,1,0,0|1,0,0]=3 20967 B18R3.6185 Brc1cc2ncccc2cc1OC3COC3 34a_200010153759_100009818527 [0,1,0,1,0,0|2,0,0]=4 20968 B18R3.6185 Brc1cc2ncccc2cc1OC3COC3 7a_200010153759_100009818527 [0,1,0,1,0,0|2,0,0]=4 20969 B18R3.6185 Cc1cc2ccccc2cc1OC3CCC3 34a_100000091601_100000749161 [0,1,0,1,0,0|0,0,0]=2 20970 B18R3.6185 Cc1cc2ccccc2cc1OC3COC3 34a_100000091601_100009818527 [0,1,0,1,0,0|1,0,0]=3 20971 B18R3.6185 Cc1cc2ccccc2cc1OC3COC3 7a_100000091601_100009818527 [0,1,0,1,0,0|1,0,0]=3 20972 B18R3.6185 Cc1cc2ccccc2nc1NC3CCC3 27a_100000749019_100000751756 [0,1,0,1,0,0|2,0,0]=4 20973 B18R3.6185 Cc1cc2ncccc2cc1SC3CCC3 62a_100010137429_100000749161 [0,1,0,1,0,0|1,1,0]=4 20974 B18R3.6185 Cc1nc2ccccc2cc1OC3CCC3 34a_200000079175_100000749161 [0,1,0,1,0,0|1,0,0]=3 20975 B18R3.6185 Cc1nc2ccccc2cc1OC3COC3 34a_200000079175_100009818527 [0,1,0,1,0,0|2,0,0]=4 20976 B18R3.6185 Cc1nc2ccccc2cc1OC3COC3 7a_200000079175_100009818527 [0,1,0,1,0,0|2,0,0]=4 20977 B18R3.6185 Clc1cc2ccccc2cc1SC3COC3 62a_100010152806_100009818527 [0,1,0,1,0,0|1,1,0]=4 20978 B18R3.6185 Clc1nc2ccccc2cc1OC3CCC3 34a_200000100762_100000749161 [0,1,0,1,0,0|1,0,0]=3 20979 B18R3.6185 Clc1nc2ccccc2cc1OC3COC3 34a_200000100762_100009818527 [0,1,0,1,0,0|2,0,0]=4 20980 B18R3.6185 Clc1nc2ccccc2cc1OC3COC3 7a_200000100762_100009818527 [0,1,0,1,0,0|2,0,0]=4 20981 B18R3.6185 Fc1cc2ccncc2cc1SC3CCC3 62a_100010244713_100000749161 [0,1,0,1,0,0|1,1,0]=4 20982 B18R3.6185 Fc1cc2cnccc2cc1SC3CCC3 62a_100011105921_100000749161 [0,1,0,1,0,0|1,1,0]=4 20983 B18R3.6185 Fc1cc2ncccc2cc1SC3CCC3 62a_100009854028_100000749161 [0,1,0,1,0,0|1,1,0]=4 20984 B18R3.6185 Fc1nc2ccccc2cc1SC3CCC3 62a_100011158909_100000749161 [0,1,0,1,0,0|1,1,0]=4 20985 B18R3.6185 Nc1cc2ccccc2cc1OC3CCC3 34a_106744474703_100000749161 [0,1,0,1,0,0|0,0,0]=2 20986 B18R3.6185 Nc1cc2ccccc2cc1OC3COC3 34a_106744474703_100009818527 [0,1,0,1,0,0|1,0,0]=3 20987 B18R3.6185 Nc1cc2ccccc2cc1OC3COC3 7a_106744474703_100009818527 [0,1,0,1,0,0|1,0,0]=3 20988 B18R3.6185 Nc1cc2ccccc2cc1SC3CCC3 62a_100009991566_100000749161 [0,1,0,1,0,0|0,1,0]=3 20989 B18R3.6185 Nc1cc2ccccc2cc1SC3COC3 62a_100009991566_100009818527 [0,1,0,1,0,0|1,1,0]=4 20990 B18R3.6185 Nc1nc2ccccc2cc1SC3CCC3 62a_100010135404_100000749161 [0,1,0,1,0,0|1,1,0]=4 20991 B18R3.6185 O=c1oc2ccccc2cc1OC3COC3 7a_100000061252_100009818527 [0,1,0,1,0,0|2,0,0]=4 20992 B18R3.6186 Brc1cc2ccccc2cc1C#CC3CC3 271570a_200009880635_200010169544 [0,1,0,1,0,0|1,0,1]=4 20993 B18R3.6186 Brc1cc2ccccc2cc1NCC3CC3 34a_100009991566_100000742324 [0,1,0,1,0,0|1,0,0]=3 20994 B18R3.6186 Brc1cc2ccccc2cc1NCC3CC3 7a_100009991566_100000742324 [0,1,0,1,0,0|1,0,0]=3 20995 B18R3.6186 Brc1cc2ccccc2cc1NCC3CO3 34a_100009991566_102125554688 [0,1,0,1,0,0|2,0,0]=4 20996 B18R3.6186 Brc1cc2ccccc2cc1NCC3CO3 7a_100009991566_102125554688 [0,1,0,1,0,0|2,0,0]=4 20997 B18R3.6186 Brc1cc2ccccc2cc1NCC3CS3 7a_100009991566_100000031435 [0,1,0,1,0,0|2,0,0]=4 20998 B18R3.6186 Brc1cc2ccccc2cc1NC[C@@H]3CO3 7a_100009991566_100000745022 [0,1,0,1,0,0|2,0,0]=4 20999 B18R3.6186 Brc1cc2ccccc2cc1OCC3CC3 34a_100009817189_100000742324 [0,1,0,1,0,0|0,0,0]=2 21000 B18R3.6186 Brc1cc2ccccc2cc1OCC3CC3 7a_100009817189_100000742324 [0,1,0,1,0,0|0,0,0]=2 21001 B18R3.6186 Brc1cc2ccccc2cc1OCC3CO3 34a_100009817189_102125554688 [0,1,0,1,0,0|1,0,0]=3 21002 B18R3.6186 Brc1cc2ccccc2cc1OCC3CO3 7a_100009817189_102125554688 [0,1,0,1,0,0|1,0,0]=3 21003 B18R3.6186 Brc1cc2ccccc2cc1OCC3CS3 7a_100009817189_100000031435 [0,1,0,1,0,0|1,0,0]=3 21004 B18R3.6186 Brc1cc2ccccc2cc1OC[C@@H]3CO3 7a_100009817189_100000745022 [0,1,0,1,0,0|1,0,0]=3 21005 B18R3.6186 Brc1cc2ccccc2cc1SCC3CO3 62a_102125554688_200010169544 [0,1,0,1,0,0|1,1,0]=4 21006 B18R3.6186 Brc1cc2ccccc2cc1SCC3CO3 62a_200010169544_102125554688 [0,1,0,1,0,0|1,1,0]=4 21007 B18R3.6186 Brc1cc2ccccc2cc1SCC3CS3 62a_100000031435_200010169544 [0,1,0,1,0,0|1,1,0]=4 21008 B18R3.6186 Brc1cc2ccccc2cc1SCC3CS3 62a_200010169544_100000031435 [0,1,0,1,0,0|1,1,0]=4 21009 B18R3.6186 Brc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100000745022_200010169544 [0,1,0,1,0,0|1,1,0]=4 21010 B18R3.6186 Brc1cc2ccccc2cc1SC[C@@H]3CO3 62a_200010169544_100000745022 [0,1,0,1,0,0|1,1,0]=4 21011 B18R3.6186 Brc1cc2ccccc2nc1SCC3CC3 62a_100000756562_100010072790 [0,1,0,1,0,0|1,1,0]=4 21012 B18R3.6186 Brc1cc2ccccc2nc1SCC3CC3 62a_100010072790_100000742324 [0,1,0,1,0,0|1,1,0]=4 21013 B18R3.6186 Brc1cc2ncccc2cc1OCC3CC3 34a_200010153759_100000742324 [0,1,0,1,0,0|1,0,0]=3 21014 B18R3.6186 Brc1cc2ncccc2cc1OCC3CC3 7a_200010153759_100000742324 [0,1,0,1,0,0|1,0,0]=3 21015 B18R3.6186 Brc1cc2ncccc2cc1OCC3CO3 34a_200010153759_102125554688 [0,1,0,1,0,0|2,0,0]=4 21016 B18R3.6186 Brc1cc2ncccc2cc1OCC3CO3 7a_200010153759_102125554688 [0,1,0,1,0,0|2,0,0]=4 21017 B18R3.6186 Brc1cc2ncccc2cc1OCC3CS3 7a_200010153759_100000031435 [0,1,0,1,0,0|2,0,0]=4 21018 B18R3.6186 Brc1cc2ncccc2cc1OC[C@@H]3CO3 7a_200010153759_100000745022 [0,1,0,1,0,0|2,0,0]=4 21019 B18R3.6186 Cc1cc2ccccc2cc1OCC3CC3 34a_100000091601_100000742324 [0,1,0,1,0,0|0,0,0]=2 21020 B18R3.6186 Cc1cc2ccccc2cc1OCC3CC3 7a_100000091601_100000742324 [0,1,0,1,0,0|0,0,0]=2 21021 B18R3.6186 Cc1cc2ccccc2cc1OCC3CO3 34a_100000091601_102125554688 [0,1,0,1,0,0|1,0,0]=3 21022 B18R3.6186 Cc1cc2ccccc2cc1OCC3CO3 7a_100000091601_102125554688 [0,1,0,1,0,0|1,0,0]=3 21023 B18R3.6186 Cc1cc2ccccc2cc1OCC3CS3 7a_100000091601_100000031435 [0,1,0,1,0,0|1,0,0]=3 21024 B18R3.6186 Cc1cc2ccccc2cc1OC[C@@H]3CO3 7a_100000091601_100000745022 [0,1,0,1,0,0|1,0,0]=3 21025 B18R3.6186 Cc1cc2ccccc2nc1NCC3CC3 27a_100000735609_100000751756 [0,1,0,1,0,0|2,0,0]=4 21026 B18R3.6186 Cc1cc2ccccc2nc1SCC3CC3 62a_100000756562_100000751756 [0,1,0,1,0,0|1,1,0]=4 21027 B18R3.6186 Cc1cc2ncccc2cc1SCC3CC3 62a_100000756562_100010137429 [0,1,0,1,0,0|1,1,0]=4 21028 B18R3.6186 Cc1cc2ncccc2cc1SCC3CC3 62a_100010137429_100000742324 [0,1,0,1,0,0|1,1,0]=4 21029 B18R3.6186 Cc1nc2ccccc2cc1OCC3CC3 34a_200000079175_100000742324 [0,1,0,1,0,0|1,0,0]=3 21030 B18R3.6186 Cc1nc2ccccc2cc1OCC3CC3 7a_200000079175_100000742324 [0,1,0,1,0,0|1,0,0]=3 21031 B18R3.6186 Cc1nc2ccccc2cc1OCC3CO3 34a_200000079175_102125554688 [0,1,0,1,0,0|2,0,0]=4 21032 B18R3.6186 Cc1nc2ccccc2cc1OCC3CO3 7a_200000079175_102125554688 [0,1,0,1,0,0|2,0,0]=4 21033 B18R3.6186 Cc1nc2ccccc2cc1OCC3CS3 7a_200000079175_100000031435 [0,1,0,1,0,0|2,0,0]=4 21034 B18R3.6186 Cc1nc2ccccc2cc1OC[C@@H]3CO3 7a_200000079175_100000745022 [0,1,0,1,0,0|2,0,0]=4 21035 B18R3.6186 Clc1cc2ccccc2cc1C#CC3CC3 271570a_200009880635_100010152806 [0,1,0,1,0,0|1,0,1]=4 21036 B18R3.6186 Clc1cc2ccccc2cc1C=CC3CC3 271570a_100102526188_100010152806 [0,1,0,1,0,0|1,0,1]=4 21037 B18R3.6186 Clc1cc2ccccc2cc1SCC3CO3 62a_100010152806_102125554688 [0,1,0,1,0,0|1,1,0]=4 21038 B18R3.6186 Clc1cc2ccccc2cc1SCC3CO3 62a_102125554688_100010152806 [0,1,0,1,0,0|1,1,0]=4 21039 B18R3.6186 Clc1cc2ccccc2cc1SCC3CS3 62a_100000031435_100010152806 [0,1,0,1,0,0|1,1,0]=4 21040 B18R3.6186 Clc1cc2ccccc2cc1SCC3CS3 62a_100010152806_100000031435 [0,1,0,1,0,0|1,1,0]=4 21041 B18R3.6186 Clc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100000745022_100010152806 [0,1,0,1,0,0|1,1,0]=4 21042 B18R3.6186 Clc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100010152806_100000745022 [0,1,0,1,0,0|1,1,0]=4 21043 B18R3.6186 Clc1nc2ccccc2cc1OCC3CC3 34a_200000100762_100000742324 [0,1,0,1,0,0|1,0,0]=3 21044 B18R3.6186 Clc1nc2ccccc2cc1OCC3CC3 7a_200000100762_100000742324 [0,1,0,1,0,0|1,0,0]=3 21045 B18R3.6186 Clc1nc2ccccc2cc1OCC3CO3 34a_200000100762_102125554688 [0,1,0,1,0,0|2,0,0]=4 21046 B18R3.6186 Clc1nc2ccccc2cc1OCC3CO3 7a_200000100762_102125554688 [0,1,0,1,0,0|2,0,0]=4 21047 B18R3.6186 Clc1nc2ccccc2cc1OCC3CS3 7a_200000100762_100000031435 [0,1,0,1,0,0|2,0,0]=4 21048 B18R3.6186 Clc1nc2ccccc2cc1OC[C@@H]3CO3 7a_200000100762_100000745022 [0,1,0,1,0,0|2,0,0]=4 21049 B18R3.6186 Clc1nc2ccccc2cc1SCC3CC3 62a_100000756562_100010220712 [0,1,0,1,0,0|1,1,0]=4 21050 B18R3.6186 Fc1cc2ccncc2cc1SCC3CC3 62a_100000756562_100010244713 [0,1,0,1,0,0|1,1,0]=4 21051 B18R3.6186 Fc1cc2ccncc2cc1SCC3CC3 62a_100010244713_100000742324 [0,1,0,1,0,0|1,1,0]=4 21052 B18R3.6186 Fc1cc2cnccc2cc1SCC3CC3 62a_100000756562_100011105921 [0,1,0,1,0,0|1,1,0]=4 21053 B18R3.6186 Fc1cc2cnccc2cc1SCC3CC3 62a_100011105921_100000742324 [0,1,0,1,0,0|1,1,0]=4 21054 B18R3.6186 Fc1cc2ncccc2cc1SCC3CC3 62a_100000756562_100009854028 [0,1,0,1,0,0|1,1,0]=4 21055 B18R3.6186 Fc1cc2ncccc2cc1SCC3CC3 62a_100009854028_100000742324 [0,1,0,1,0,0|1,1,0]=4 21056 B18R3.6186 Fc1nc2ccccc2cc1SCC3CC3 62a_100000756562_100011158909 [0,1,0,1,0,0|1,1,0]=4 21057 B18R3.6186 Fc1nc2ccccc2cc1SCC3CC3 62a_100011158909_100000742324 [0,1,0,1,0,0|1,1,0]=4 21058 B18R3.6186 Nc1cc2ccccc2cc1C#CC3CC3 271570a_200009880635_100009991566 [0,1,0,1,0,0|1,0,1]=4 21059 B18R3.6186 Nc1cc2ccccc2cc1C=CC3CC3 271570a_100102526188_100009991566 [0,1,0,1,0,0|1,0,1]=4 21060 B18R3.6186 Nc1cc2ccccc2cc1OCC3CC3 34a_106744474703_100000742324 [0,1,0,1,0,0|0,0,0]=2 21061 B18R3.6186 Nc1cc2ccccc2cc1OCC3CC3 7a_106744474703_100000742324 [0,1,0,1,0,0|0,0,0]=2 21062 B18R3.6186 Nc1cc2ccccc2cc1OCC3CO3 34a_106744474703_102125554688 [0,1,0,1,0,0|1,0,0]=3 21063 B18R3.6186 Nc1cc2ccccc2cc1OCC3CO3 7a_106744474703_102125554688 [0,1,0,1,0,0|1,0,0]=3 21064 B18R3.6186 Nc1cc2ccccc2cc1OCC3CS3 7a_106744474703_100000031435 [0,1,0,1,0,0|1,0,0]=3 21065 B18R3.6186 Nc1cc2ccccc2cc1OC[C@@H]3CO3 7a_106744474703_100000745022 [0,1,0,1,0,0|1,0,0]=3 21066 B18R3.6186 Nc1cc2ccccc2cc1SCC3CC3 62a_100000756562_100009991566 [0,1,0,1,0,0|0,1,0]=3 21067 B18R3.6186 Nc1cc2ccccc2cc1SCC3CC3 62a_100009991566_100000742324 [0,1,0,1,0,0|0,1,0]=3 21068 B18R3.6186 Nc1cc2ccccc2cc1SCC3CO3 62a_100009991566_102125554688 [0,1,0,1,0,0|1,1,0]=4 21069 B18R3.6186 Nc1cc2ccccc2cc1SCC3CO3 62a_102125554688_100009991566 [0,1,0,1,0,0|1,1,0]=4 21070 B18R3.6186 Nc1cc2ccccc2cc1SCC3CS3 62a_100000031435_100009991566 [0,1,0,1,0,0|1,1,0]=4 21071 B18R3.6186 Nc1cc2ccccc2cc1SCC3CS3 62a_100009991566_100000031435 [0,1,0,1,0,0|1,1,0]=4 21072 B18R3.6186 Nc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100000745022_100009991566 [0,1,0,1,0,0|1,1,0]=4 21073 B18R3.6186 Nc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100009991566_100000745022 [0,1,0,1,0,0|1,1,0]=4 21074 B18R3.6186 Nc1nc2ccccc2cc1SCC3CC3 62a_100010135404_100000742324 [0,1,0,1,0,0|1,1,0]=4 21075 B18R3.6186 O=c1oc2ccccc2cc1OCC3CC3 7a_100000061252_100000742324 [0,1,0,1,0,0|1,0,0]=3 21076 B18R3.6186 O=c1oc2ccccc2cc1OCC3CO3 7a_100000061252_102125554688 [0,1,0,1,0,0|2,0,0]=4 21077 B18R3.6186 O=c1oc2ccccc2cc1OCC3CS3 7a_100000061252_100000031435 [0,1,0,1,0,0|2,0,0]=4 21078 B18R3.6186 O=c1oc2ccccc2cc1OC[C@@H]3CO3 7a_100000061252_100000745022 [0,1,0,1,0,0|2,0,0]=4 21079 B18R3.6186 O=c1oc2ccccc2cc1SCC3CC3 62a_100000756562_200000187772 [0,1,0,1,0,0|1,1,0]=4 21080 B18R3.6186 Oc1cc2ccccc2cc1C#CC3CC3 271570a_200009880635_100009817189 [0,1,0,1,0,0|1,0,1]=4 21081 B18R3.6186 Oc1cc2ccccc2cc1C=CC3CC3 271570a_100102526188_100009817189 [0,1,0,1,0,0|1,0,1]=4 21082 B18R3.6186 Oc1cc2ccccc2cc1SCC3CC3 62a_100000756562_100009817189 [0,1,0,1,0,0|0,1,0]=3 21083 B18R3.6186 Oc1cc2ccccc2cc1SCC3CO3 62a_102125554688_100009817189 [0,1,0,1,0,0|1,1,0]=4 21084 B18R3.6186 Oc1cc2ccccc2cc1SCC3CS3 62a_100000031435_100009817189 [0,1,0,1,0,0|1,1,0]=4 21085 B18R3.6186 Oc1cc2ccccc2cc1SC[C@@H]3CO3 62a_100000745022_100009817189 [0,1,0,1,0,0|1,1,0]=4 21086 B18R3.6186 Oc1cc2ccccc2nc1SCC3CC3 62a_100000756562_200000100762 [0,1,0,1,0,0|1,1,0]=4 21087 B18R3.6186 Oc1cc2cccnc2cc1SCC3CC3 62a_100000756562_200010153759 [0,1,0,1,0,0|1,1,0]=4 21088 B18R3.6186 Oc1nc2ccccc2cc1SCC3CC3 62a_100000756562_200009820883 [0,1,0,1,0,0|1,1,0]=4 21089 B18R3.6367 Cc1cc2ccccc2nc1N3CCCC3 27a_100000188435_100000751756 [0,1,0,1,0,0|2,0,0]=4 21090 B18R3.6367 Nc1cc2ccccc2cc1C3=CCCC3 271570a_100000089523_100009991566 [0,1,0,1,0,0|1,0,1]=4 21091 B18R3.6367 Oc1cc2ccccc2cc1C3=CCCC3 271570a_100000089523_100009817189 [0,1,0,1,0,0|1,0,1]=4 21092 B18R3.7037 Cc1cc2ccccc2nc1N3CCC3C 27a_100000755817_100000751756 [0,1,0,1,0,0|2,0,0]=4 21093 B18R3.51705 Brc1cnc2cc(ccc2c1)N3CCCC3 27a_100000188435_200015509644 [0,1,0,1,0,0|2,0,0]=4 21094 B18R3.51705 Cc1ccc2nc(ccc2c1)N3CCCC3 27a_100000188435_100011865911 [0,1,0,1,0,0|2,0,0]=4 21095 B18R3.51705 Fc1ccc2cc(ccc2c1)C3=CCCC3 271570a_100000089523_100009817052 [0,1,0,1,0,0|1,0,1]=4 21096 B18R3.51705 Fc1ccc2nc(ccc2c1)N3CCCC3 27a_100000188435_100011998705 [0,1,0,1,0,0|2,0,0]=4 21097 B18R3.51705 Nc1ccc2cc(ccc2c1)C3=CCCC3 271570a_100000089523_100000185457 [0,1,0,1,0,0|1,0,1]=4 21098 B18R3.51705 Oc1ccc2cc(ccc2c1)C3=CCCC3 271570a_100000089523_100000185455 [0,1,0,1,0,0|1,0,1]=4 21099 B18R3.405767 Brc1ccc2cc(ccc2c1)CN3CCC3 269982a_100000754969_100012356510 [0,1,0,1,0,0|2,0,0]=4 21100 B18R3.405767 Brc1ccc2cc(ccc2c1)CN3CCC3 26a_100000754969_100000185455 [0,1,0,1,0,0|2,0,0]=4 21101 B18R3.405767 Brc1ccc2cc(ccc2c1)NC3CCC3 34a_100000185457_100000749161 [0,1,0,1,0,0|1,0,0]=3 21102 B18R3.405767 Brc1ccc2cc(ccc2c1)NC3COC3 34a_100000185457_100009818527 [0,1,0,1,0,0|2,0,0]=4 21103 B18R3.405767 Brc1ccc2cc(ccc2c1)NC3COC3 7a_100000185457_100009818527 [0,1,0,1,0,0|2,0,0]=4 21104 B18R3.405767 Brc1ccc2cc(ccc2c1)OC3CCC3 34a_100000185455_100000749161 [0,1,0,1,0,0|0,0,0]=2 21105 B18R3.405767 Brc1ccc2cc(ccc2c1)OC3COC3 34a_100000185455_100009818527 [0,1,0,1,0,0|1,0,0]=3 21106 B18R3.405767 Brc1ccc2cc(ccc2c1)OC3COC3 7a_100000185455_100009818527 [0,1,0,1,0,0|1,0,0]=3 21107 B18R3.405767 Brc1ccc2cc(ccc2c1)SC3COC3 62a_100012344972_100009818527 [0,1,0,1,0,0|1,1,0]=4 21108 B18R3.405767 Brc1cnc2cc(ccc2c1)NC3CCC3 27a_100000749019_200015509644 [0,1,0,1,0,0|2,0,0]=4 21109 B18R3.405767 Brc1cnc2cc(ccc2c1)NC3CCC3 34a_200010264087_100000749161 [0,1,0,1,0,0|2,0,0]=4 21110 B18R3.405767 Brc1cnc2cc(ccc2c1)OC3CCC3 34a_200010153753_100000749161 [0,1,0,1,0,0|1,0,0]=3 21111 B18R3.405767 Brc1cnc2cc(ccc2c1)OC3COC3 34a_200010153753_100009818527 [0,1,0,1,0,0|2,0,0]=4 21112 B18R3.405767 Brc1cnc2cc(ccc2c1)OC3COC3 7a_200010153753_100009818527 [0,1,0,1,0,0|2,0,0]=4 21113 B18R3.405767 Brc1cnc2cc(ccc2c1)SC3CCC3 62a_200015509644_100000749161 [0,1,0,1,0,0|1,1,0]=4 21114 B18R3.405767 Cc1ccc2cc(ccc2c1)OC3CCC3 34a_100000074090_100000749161 [0,1,0,1,0,0|0,0,0]=2 21115 B18R3.405767 Cc1ccc2cc(ccc2c1)OC3COC3 34a_100000074090_100009818527 [0,1,0,1,0,0|1,0,0]=3 21116 B18R3.405767 Cc1ccc2cc(ccc2c1)OC3COC3 7a_100000074090_100009818527 [0,1,0,1,0,0|1,0,0]=3 21117 B18R3.405767 Cc1ccc2cc(ccc2n1)NC3CCC3 34a_100011216442_100000749161 [0,1,0,1,0,0|2,0,0]=4 21118 B18R3.405767 Cc1ccc2cc(ccc2n1)OC3CCC3 34a_100000037634_100000749161 [0,1,0,1,0,0|1,0,0]=3 21119 B18R3.405767 Cc1ccc2cc(ccc2n1)OC3COC3 34a_100000037634_100009818527 [0,1,0,1,0,0|2,0,0]=4 21120 B18R3.405767 Cc1ccc2cc(ccc2n1)OC3COC3 7a_100000037634_100009818527 [0,1,0,1,0,0|2,0,0]=4 21121 B18R3.405767 Cc1ccc2cc(ccc2n1)SC3CCC3 62a_100000686635_100000749161 [0,1,0,1,0,0|1,1,0]=4 21122 B18R3.405767 Cc1ccc2nc(ccc2c1)NC3CCC3 27a_100000749019_100011865911 [0,1,0,1,0,0|2,0,0]=4 21123 B18R3.405767 Cc1ccc2nc(ccc2c1)SC3CCC3 62a_200000181977_100000749161 [0,1,0,1,0,0|1,1,0]=4 21124 B18R3.405767 Clc1ccc2cc(ccc2c1)OC3CCC3 34a_100000074905_100000749161 [0,1,0,1,0,0|0,0,0]=2 21125 B18R3.405767 Clc1ccc2cc(ccc2c1)OC3COC3 34a_100000074905_100009818527 [0,1,0,1,0,0|1,0,0]=3 21126 B18R3.405767 Clc1ccc2cc(ccc2c1)OC3COC3 7a_100000074905_100009818527 [0,1,0,1,0,0|1,0,0]=3 21127 B18R3.405767 Clc1ccc2cc(ccc2n1)OC3CCC3 34a_100009849208_100000749161 [0,1,0,1,0,0|1,0,0]=3 21128 B18R3.405767 Clc1ccc2cc(ccc2n1)OC3COC3 34a_100009849208_100009818527 [0,1,0,1,0,0|2,0,0]=4 21129 B18R3.405767 Clc1ccc2cc(ccc2n1)OC3COC3 7a_100009849208_100009818527 [0,1,0,1,0,0|2,0,0]=4 21130 B18R3.405767 Clc1ccc2cc(cnc2c1)SC3CCC3 62a_100015716233_100000749161 [0,1,0,1,0,0|1,1,0]=4 21131 B18R3.405767 Clc1cnc2cc(ccc2n1)OC3CCC3 34a_200010664160_100000749161 [0,1,0,1,0,0|2,0,0]=4 21132 B18R3.405767 Fc1ccc2cc(ccc2c1)OC3CCC3 34a_100009847029_100000749161 [0,1,0,1,0,0|0,0,0]=2 21133 B18R3.405767 Fc1ccc2cc(ccc2c1)OC3COC3 34a_100009847029_100009818527 [0,1,0,1,0,0|1,0,0]=3 21134 B18R3.405767 Fc1ccc2cc(ccc2c1)OC3COC3 7a_100009847029_100009818527 [0,1,0,1,0,0|1,0,0]=3 21135 B18R3.405767 Fc1ccc2cc(ccc2c1)SC3CCC3 62a_100009817052_100000749161 [0,1,0,1,0,0|0,1,0]=3 21136 B18R3.405767 Fc1ccc2cc(ccc2c1)SC3COC3 62a_100009817052_100009818527 [0,1,0,1,0,0|1,1,0]=4 21137 B18R3.405767 Fc1ccc2cc(cnc2c1)OC3CCC3 34a_100012184162_100000749161 [0,1,0,1,0,0|1,0,0]=3 21138 B18R3.405767 Fc1ccc2cc(cnc2c1)OC3COC3 34a_100012184162_100009818527 [0,1,0,1,0,0|2,0,0]=4 21139 B18R3.405767 Fc1ccc2cc(cnc2c1)OC3COC3 7a_100012184162_100009818527 [0,1,0,1,0,0|2,0,0]=4 21140 B18R3.405767 Fc1ccc2nc(ccc2c1)NC3CCC3 27a_100000749019_100011998705 [0,1,0,1,0,0|2,0,0]=4 21141 B18R3.405767 Fc1ccc2nc(ccc2c1)SC3CCC3 62a_200012355665_100000749161 [0,1,0,1,0,0|1,1,0]=4 21142 B18R3.405767 Fc1cnc2cc(ccc2c1)SC3CCC3 62a_100010751466_100000749161 [0,1,0,1,0,0|1,1,0]=4 21143 B18R3.405767 Nc1cc2ccc(cc2cn1)SC3CCC3 62a_100010232990_100000749161 [0,1,0,1,0,0|1,1,0]=4 21144 B18R3.405767 Nc1ccc2cc(ccc2c1)SC3CCC3 62a_100000185457_100000749161 [0,1,0,1,0,0|0,1,0]=3 21145 B18R3.405767 Nc1ccc2cc(ccc2c1)SC3COC3 62a_100000185457_100009818527 [0,1,0,1,0,0|1,1,0]=4 21146 B18R3.405767 Nc1ccc2cc(ccc2n1)SC3CCC3 62a_100011934619_100000749161 [0,1,0,1,0,0|1,1,0]=4 21147 B18R3.405767 Nc1ccc2cc(cnc2c1)SC3CCC3 62a_200010264087_100000749161 [0,1,0,1,0,0|1,1,0]=4 21148 B18R3.405767 Nc1cnc2cc(ccc2c1)SC3CCC3 62a_100010142226_100000749161 [0,1,0,1,0,0|1,1,0]=4 21149 B18R3.405767 O=c1ccc2cc(ccc2o1)OC3CCC3 34a_100000066265_100000749161 [0,1,0,1,0,0|1,0,0]=3 21150 B18R3.405767 O=c1ccc2cc(ccc2o1)OC3COC3 34a_100000066265_100009818527 [0,1,0,1,0,0|2,0,0]=4 21151 B18R3.405767 O=c1ccc2cc(ccc2o1)OC3COC3 7a_100000066265_100009818527 [0,1,0,1,0,0|2,0,0]=4 21152 B18R3.551439 CC1CCN1c2ccc3cc(ccc3n2)F 27a_100000755817_100011998705 [0,1,0,1,0,0|2,0,0]=4 21153 B18R3.551439 CC1CCN1c2ccc3cc(cnc3c2)Br 27a_100000755817_200015509644 [0,1,0,1,0,0|2,0,0]=4 21154 B18R3.551439 Cc1ccc2nc(ccc2c1)N3CCC3C 27a_100000755817_100011865911 [0,1,0,1,0,0|2,0,0]=4 21155 B18R3.551442 Brc1ccc2cc(ccc2c1)C#CC3CC3 271570a_200009880635_100012344972 [0,1,0,1,0,0|1,0,1]=4 21156 B18R3.551442 Brc1ccc2cc(ccc2c1)CNC3CC3 34a_100000212008_100012356510 [0,1,0,1,0,0|2,0,0]=4 21157 B18R3.551442 Brc1ccc2cc(ccc2c1)COC3CC3 34a_100012356509_100000211595 [0,1,0,1,0,0|2,0,0]=4 21158 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CC3 34a_100000185457_100000742324 [0,1,0,1,0,0|1,0,0]=3 21159 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CC3 7a_100000185457_100000742324 [0,1,0,1,0,0|1,0,0]=3 21160 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CO3 34a_100000185457_102125554688 [0,1,0,1,0,0|2,0,0]=4 21161 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CO3 7a_100000185457_102125554688 [0,1,0,1,0,0|2,0,0]=4 21162 B18R3.551442 Brc1ccc2cc(ccc2c1)NCC3CS3 7a_100000185457_100000031435 [0,1,0,1,0,0|2,0,0]=4 21163 B18R3.551442 Brc1ccc2cc(ccc2c1)NC[C@@H]3CO3 7a_100000185457_100000745022 [0,1,0,1,0,0|2,0,0]=4 21164 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CC3 34a_100000185455_100000742324 [0,1,0,1,0,0|0,0,0]=2 21165 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CC3 7a_100000185455_100000742324 [0,1,0,1,0,0|0,0,0]=2 21166 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CO3 34a_100000185455_102125554688 [0,1,0,1,0,0|1,0,0]=3 21167 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CO3 7a_100000185455_102125554688 [0,1,0,1,0,0|1,0,0]=3 21168 B18R3.551442 Brc1ccc2cc(ccc2c1)OCC3CS3 7a_100000185455_100000031435 [0,1,0,1,0,0|1,0,0]=3 21169 B18R3.551442 Brc1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000185455_100000745022 [0,1,0,1,0,0|1,0,0]=3 21170 B18R3.551442 Brc1ccc2cc(ccc2c1)SCC3CO3 62a_100012344972_102125554688 [0,1,0,1,0,0|1,1,0]=4 21171 B18R3.551442 Brc1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100012344972 [0,1,0,1,0,0|1,1,0]=4 21172 B18R3.551442 Brc1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100012344972 [0,1,0,1,0,0|1,1,0]=4 21173 B18R3.551442 Brc1ccc2cc(ccc2c1)SCC3CS3 62a_100012344972_100000031435 [0,1,0,1,0,0|1,1,0]=4 21174 B18R3.551442 Brc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100012344972 [0,1,0,1,0,0|1,1,0]=4 21175 B18R3.551442 Brc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100012344972_100000745022 [0,1,0,1,0,0|1,1,0]=4 21176 B18R3.551442 Brc1cnc2cc(ccc2c1)NCC3CC3 27a_100000735609_200015509644 [0,1,0,1,0,0|2,0,0]=4 21177 B18R3.551442 Brc1cnc2cc(ccc2c1)NCC3CC3 34a_200010264087_100000742324 [0,1,0,1,0,0|2,0,0]=4 21178 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CC3 34a_200010153753_100000742324 [0,1,0,1,0,0|1,0,0]=3 21179 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CC3 7a_200010153753_100000742324 [0,1,0,1,0,0|1,0,0]=3 21180 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CO3 34a_200010153753_102125554688 [0,1,0,1,0,0|2,0,0]=4 21181 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CO3 7a_200010153753_102125554688 [0,1,0,1,0,0|2,0,0]=4 21182 B18R3.551442 Brc1cnc2cc(ccc2c1)OCC3CS3 7a_200010153753_100000031435 [0,1,0,1,0,0|2,0,0]=4 21183 B18R3.551442 Brc1cnc2cc(ccc2c1)OC[C@@H]3CO3 7a_200010153753_100000745022 [0,1,0,1,0,0|2,0,0]=4 21184 B18R3.551442 Brc1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_200015509644 [0,1,0,1,0,0|1,1,0]=4 21185 B18R3.551442 Brc1cnc2cc(ccc2c1)SCC3CC3 62a_200015509644_100000742324 [0,1,0,1,0,0|1,1,0]=4 21186 B18R3.551442 C[n+]1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100015191232 [0,1,0,1,0,0|1,1,0]=4 21187 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CC3 34a_100000074090_100000742324 [0,1,0,1,0,0|0,0,0]=2 21188 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CC3 7a_100000074090_100000742324 [0,1,0,1,0,0|0,0,0]=2 21189 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CO3 34a_100000074090_102125554688 [0,1,0,1,0,0|1,0,0]=3 21190 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CO3 7a_100000074090_102125554688 [0,1,0,1,0,0|1,0,0]=3 21191 B18R3.551442 Cc1ccc2cc(ccc2c1)OCC3CS3 7a_100000074090_100000031435 [0,1,0,1,0,0|1,0,0]=3 21192 B18R3.551442 Cc1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000074090_100000745022 [0,1,0,1,0,0|1,0,0]=3 21193 B18R3.551442 Cc1ccc2cc(ccc2n1)NCC3CC3 34a_100011216442_100000742324 [0,1,0,1,0,0|2,0,0]=4 21194 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CC3 34a_100000037634_100000742324 [0,1,0,1,0,0|1,0,0]=3 21195 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CC3 7a_100000037634_100000742324 [0,1,0,1,0,0|1,0,0]=3 21196 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CO3 34a_100000037634_102125554688 [0,1,0,1,0,0|2,0,0]=4 21197 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CO3 7a_100000037634_102125554688 [0,1,0,1,0,0|2,0,0]=4 21198 B18R3.551442 Cc1ccc2cc(ccc2n1)OCC3CS3 7a_100000037634_100000031435 [0,1,0,1,0,0|2,0,0]=4 21199 B18R3.551442 Cc1ccc2cc(ccc2n1)OC[C@@H]3CO3 7a_100000037634_100000745022 [0,1,0,1,0,0|2,0,0]=4 21200 B18R3.551442 Cc1ccc2cc(ccc2n1)SCC3CC3 62a_100000686635_100000742324 [0,1,0,1,0,0|1,1,0]=4 21201 B18R3.551442 Cc1ccc2cc(ccc2n1)SCC3CC3 62a_100000756562_100000686635 [0,1,0,1,0,0|1,1,0]=4 21202 B18R3.551442 Cc1ccc2nc(ccc2c1)NCC3CC3 27a_100000735609_100011865911 [0,1,0,1,0,0|2,0,0]=4 21203 B18R3.551442 Cc1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100011865911 [0,1,0,1,0,0|1,1,0]=4 21204 B18R3.551442 Cc1ccc2nc(ccc2c1)SCC3CC3 62a_200000181977_100000742324 [0,1,0,1,0,0|1,1,0]=4 21205 B18R3.551442 Cc1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_100010751441 [0,1,0,1,0,0|1,1,0]=4 21206 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CC3 34a_100000074905_100000742324 [0,1,0,1,0,0|0,0,0]=2 21207 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CC3 7a_100000074905_100000742324 [0,1,0,1,0,0|0,0,0]=2 21208 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CO3 34a_100000074905_102125554688 [0,1,0,1,0,0|1,0,0]=3 21209 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CO3 7a_100000074905_102125554688 [0,1,0,1,0,0|1,0,0]=3 21210 B18R3.551442 Clc1ccc2cc(ccc2c1)OCC3CS3 7a_100000074905_100000031435 [0,1,0,1,0,0|1,0,0]=3 21211 B18R3.551442 Clc1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100000074905_100000745022 [0,1,0,1,0,0|1,0,0]=3 21212 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CC3 34a_100009849208_100000742324 [0,1,0,1,0,0|1,0,0]=3 21213 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CC3 7a_100009849208_100000742324 [0,1,0,1,0,0|1,0,0]=3 21214 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CO3 34a_100009849208_102125554688 [0,1,0,1,0,0|2,0,0]=4 21215 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CO3 7a_100009849208_102125554688 [0,1,0,1,0,0|2,0,0]=4 21216 B18R3.551442 Clc1ccc2cc(ccc2n1)OCC3CS3 7a_100009849208_100000031435 [0,1,0,1,0,0|2,0,0]=4 21217 B18R3.551442 Clc1ccc2cc(ccc2n1)OC[C@@H]3CO3 7a_100009849208_100000745022 [0,1,0,1,0,0|2,0,0]=4 21218 B18R3.551442 Clc1ccc2cc(ccc2n1)SCC3CC3 62a_100000756562_200012034268 [0,1,0,1,0,0|1,1,0]=4 21219 B18R3.551442 Clc1ccc2cc(cnc2c1)SCC3CC3 62a_100000756562_100015716233 [0,1,0,1,0,0|1,1,0]=4 21220 B18R3.551442 Clc1ccc2cc(cnc2c1)SCC3CC3 62a_100015716233_100000742324 [0,1,0,1,0,0|1,1,0]=4 21221 B18R3.551442 Clc1cnc2cc(ccc2n1)OCC3CC3 34a_200010664160_100000742324 [0,1,0,1,0,0|2,0,0]=4 21222 B18R3.551442 Fc1ccc2cc(ccc2c1)C#CC3CC3 271570a_200009880635_100009817052 [0,1,0,1,0,0|1,0,1]=4 21223 B18R3.551442 Fc1ccc2cc(ccc2c1)C=CC3CC3 271570a_100102526188_100009817052 [0,1,0,1,0,0|1,0,1]=4 21224 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CC3 34a_100009847029_100000742324 [0,1,0,1,0,0|0,0,0]=2 21225 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CC3 7a_100009847029_100000742324 [0,1,0,1,0,0|0,0,0]=2 21226 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CO3 34a_100009847029_102125554688 [0,1,0,1,0,0|1,0,0]=3 21227 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CO3 7a_100009847029_102125554688 [0,1,0,1,0,0|1,0,0]=3 21228 B18R3.551442 Fc1ccc2cc(ccc2c1)OCC3CS3 7a_100009847029_100000031435 [0,1,0,1,0,0|1,0,0]=3 21229 B18R3.551442 Fc1ccc2cc(ccc2c1)OC[C@@H]3CO3 7a_100009847029_100000745022 [0,1,0,1,0,0|1,0,0]=3 21230 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100009817052 [0,1,0,1,0,0|0,1,0]=3 21231 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CC3 62a_100009817052_100000742324 [0,1,0,1,0,0|0,1,0]=3 21232 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CO3 62a_100009817052_102125554688 [0,1,0,1,0,0|1,1,0]=4 21233 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100009817052 [0,1,0,1,0,0|1,1,0]=4 21234 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100009817052 [0,1,0,1,0,0|1,1,0]=4 21235 B18R3.551442 Fc1ccc2cc(ccc2c1)SCC3CS3 62a_100009817052_100000031435 [0,1,0,1,0,0|1,1,0]=4 21236 B18R3.551442 Fc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100009817052 [0,1,0,1,0,0|1,1,0]=4 21237 B18R3.551442 Fc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100009817052_100000745022 [0,1,0,1,0,0|1,1,0]=4 21238 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CC3 34a_100012184162_100000742324 [0,1,0,1,0,0|1,0,0]=3 21239 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CC3 7a_100012184162_100000742324 [0,1,0,1,0,0|1,0,0]=3 21240 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CO3 34a_100012184162_102125554688 [0,1,0,1,0,0|2,0,0]=4 21241 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CO3 7a_100012184162_102125554688 [0,1,0,1,0,0|2,0,0]=4 21242 B18R3.551442 Fc1ccc2cc(cnc2c1)OCC3CS3 7a_100012184162_100000031435 [0,1,0,1,0,0|2,0,0]=4 21243 B18R3.551442 Fc1ccc2cc(cnc2c1)OC[C@@H]3CO3 7a_100012184162_100000745022 [0,1,0,1,0,0|2,0,0]=4 21244 B18R3.551442 Fc1ccc2nc(ccc2c1)NCC3CC3 27a_100000735609_100011998705 [0,1,0,1,0,0|2,0,0]=4 21245 B18R3.551442 Fc1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100011998705 [0,1,0,1,0,0|1,1,0]=4 21246 B18R3.551442 Fc1ccc2nc(ccc2c1)SCC3CC3 62a_200012355665_100000742324 [0,1,0,1,0,0|1,1,0]=4 21247 B18R3.551442 Fc1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_100010751466 [0,1,0,1,0,0|1,1,0]=4 21248 B18R3.551442 Fc1cnc2cc(ccc2c1)SCC3CC3 62a_100010751466_100000742324 [0,1,0,1,0,0|1,1,0]=4 21249 B18R3.551442 Nc1cc2ccc(cc2cn1)SCC3CC3 62a_100000756562_100010232990 [0,1,0,1,0,0|1,1,0]=4 21250 B18R3.551442 Nc1cc2ccc(cc2cn1)SCC3CC3 62a_100010232990_100000742324 [0,1,0,1,0,0|1,1,0]=4 21251 B18R3.551442 Nc1ccc2cc(ccc2c1)C#CC3CC3 271570a_200009880635_100000185457 [0,1,0,1,0,0|1,0,1]=4 21252 B18R3.551442 Nc1ccc2cc(ccc2c1)C=CC3CC3 271570a_100102526188_100000185457 [0,1,0,1,0,0|1,0,1]=4 21253 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CC3 62a_100000185457_100000742324 [0,1,0,1,0,0|0,1,0]=3 21254 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100000185457 [0,1,0,1,0,0|0,1,0]=3 21255 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CO3 62a_100000185457_102125554688 [0,1,0,1,0,0|1,1,0]=4 21256 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100000185457 [0,1,0,1,0,0|1,1,0]=4 21257 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100000185457 [0,1,0,1,0,0|1,1,0]=4 21258 B18R3.551442 Nc1ccc2cc(ccc2c1)SCC3CS3 62a_100000185457_100000031435 [0,1,0,1,0,0|1,1,0]=4 21259 B18R3.551442 Nc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000185457_100000745022 [0,1,0,1,0,0|1,1,0]=4 21260 B18R3.551442 Nc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100000185457 [0,1,0,1,0,0|1,1,0]=4 21261 B18R3.551442 Nc1ccc2cc(ccc2n1)SCC3CC3 62a_100011934619_100000742324 [0,1,0,1,0,0|1,1,0]=4 21262 B18R3.551442 Nc1ccc2cc(cnc2c1)SCC3CC3 62a_100000756562_200010264087 [0,1,0,1,0,0|1,1,0]=4 21263 B18R3.551442 Nc1ccc2cc(cnc2c1)SCC3CC3 62a_200010264087_100000742324 [0,1,0,1,0,0|1,1,0]=4 21264 B18R3.551442 Nc1cnc2cc(ccc2c1)SCC3CC3 62a_100000756562_100010142226 [0,1,0,1,0,0|1,1,0]=4 21265 B18R3.551442 Nc1cnc2cc(ccc2c1)SCC3CC3 62a_100010142226_100000742324 [0,1,0,1,0,0|1,1,0]=4 21266 B18R3.551442 O=c1ccc2cc(ccc2[nH]1)SCC3CC3 62a_100000756562_100011934725 [0,1,0,1,0,0|1,1,0]=4 21267 B18R3.551442 O=c1ccc2cc(ccc2o1)NCC3CC3 7a_100000008519_100000742324 [0,1,0,1,0,0|2,0,0]=4 21268 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CC3 34a_100000066265_100000742324 [0,1,0,1,0,0|1,0,0]=3 21269 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CC3 7a_100000066265_100000742324 [0,1,0,1,0,0|1,0,0]=3 21270 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CO3 34a_100000066265_102125554688 [0,1,0,1,0,0|2,0,0]=4 21271 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CO3 7a_100000066265_102125554688 [0,1,0,1,0,0|2,0,0]=4 21272 B18R3.551442 O=c1ccc2cc(ccc2o1)OCC3CS3 7a_100000066265_100000031435 [0,1,0,1,0,0|2,0,0]=4 21273 B18R3.551442 O=c1ccc2cc(ccc2o1)OC[C@@H]3CO3 7a_100000066265_100000745022 [0,1,0,1,0,0|2,0,0]=4 21274 B18R3.551442 O=c1ccc2cc(ccc2o1)SCC3CC3 62a_100000756562_100009999946 [0,1,0,1,0,0|1,1,0]=4 21275 B18R3.551442 Oc1ccc2cc(ccc2c1)C#CC3CC3 271570a_200009880635_100000185455 [0,1,0,1,0,0|1,0,1]=4 21276 B18R3.551442 Oc1ccc2cc(ccc2c1)C=CC3CC3 271570a_100102526188_100000185455 [0,1,0,1,0,0|1,0,1]=4 21277 B18R3.551442 Oc1ccc2cc(ccc2c1)CNC3CC3 34a_200000083168_100000211595 [0,1,0,1,0,0|2,0,0]=4 21278 B18R3.551442 Oc1ccc2cc(ccc2c1)SCC3CC3 62a_100000756562_100000185455 [0,1,0,1,0,0|0,1,0]=3 21279 B18R3.551442 Oc1ccc2cc(ccc2c1)SCC3CO3 62a_102125554688_100000185455 [0,1,0,1,0,0|1,1,0]=4 21280 B18R3.551442 Oc1ccc2cc(ccc2c1)SCC3CS3 62a_100000031435_100000185455 [0,1,0,1,0,0|1,1,0]=4 21281 B18R3.551442 Oc1ccc2cc(ccc2c1)SC[C@@H]3CO3 62a_100000745022_100000185455 [0,1,0,1,0,0|1,1,0]=4 21282 B18R3.551442 Oc1ccc2cc(cnc2c1)SCC3CC3 62a_100000756562_200010153753 [0,1,0,1,0,0|1,1,0]=4 21283 B18R3.551442 Oc1ccc2nc(ccc2c1)SCC3CC3 62a_100000756562_100009849208 [0,1,0,1,0,0|1,1,0]=4 21284 B18R3.5872 Clc1ccnc2c1ccc(c2)N3CCCC3 27a_100000188435_100009996786 [0,1,0,1,0,0|2,0,0]=4 21285 B18R3.5872 Nc1cccc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100010090037 [0,1,0,1,0,0|1,0,1]=4 21286 B18R3.5872 Oc1cccc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100010202202 [0,1,0,1,0,0|1,0,1]=4 21287 B18R3.89314 CC1CCN1c2ccc3c(ccnc3c2)Cl 27a_100000755817_100009996786 [0,1,0,1,0,0|2,0,0]=4 21288 B18R3.89316 Brc1cccc2c1ncc(c2)SC3CCC3 62a_100010204298_100000749161 [0,1,0,1,0,0|1,1,0]=4 21289 B18R3.89316 Brc1ccnc2c1ccc(c2)OC3CCC3 34a_100010204257_100000749161 [0,1,0,1,0,0|1,0,0]=3 21290 B18R3.89316 Brc1ccnc2c1ccc(c2)OC3COC3 34a_100010204257_100009818527 [0,1,0,1,0,0|2,0,0]=4 21291 B18R3.89316 Brc1ccnc2c1ccc(c2)OC3COC3 7a_100010204257_100009818527 [0,1,0,1,0,0|2,0,0]=4 21292 B18R3.89316 Cc1ccnc2c1ccc(c2)OC3CCC3 34a_200009854145_100000749161 [0,1,0,1,0,0|1,0,0]=3 21293 B18R3.89316 Cc1ccnc2c1ccc(c2)OC3COC3 34a_200009854145_100009818527 [0,1,0,1,0,0|2,0,0]=4 21294 B18R3.89316 Cc1ccnc2c1ccc(c2)OC3COC3 7a_200009854145_100009818527 [0,1,0,1,0,0|2,0,0]=4 21295 B18R3.89316 Cc1ccnc2c1ccc(c2)SC3CCC3 62a_100010132309_100000749161 [0,1,0,1,0,0|1,1,0]=4 21296 B18R3.89316 Clc1ccnc2c1ccc(c2)NC3CCC3 27a_100000749019_100009996786 [0,1,0,1,0,0|2,0,0]=4 21297 B18R3.89316 Clc1ccnc2c1ccc(c2)OC3CCC3 34a_100000045489_100000749161 [0,1,0,1,0,0|1,0,0]=3 21298 B18R3.89316 Clc1ccnc2c1ccc(c2)OC3COC3 34a_100000045489_100009818527 [0,1,0,1,0,0|2,0,0]=4 21299 B18R3.89316 Clc1ccnc2c1ccc(c2)OC3COC3 7a_100000045489_100009818527 [0,1,0,1,0,0|2,0,0]=4 21300 B18R3.89316 Clc1ccnc2c1ccc(c2)SC3CCC3 62a_100009996786_100000749161 [0,1,0,1,0,0|1,1,0]=4 21301 B18R3.89316 Clc1nccc2c1ccc(c2)OC3CCC3 34a_100009867704_100000749161 [0,1,0,1,0,0|1,0,0]=3 21302 B18R3.89316 Clc1nccc2c1ccc(c2)OC3COC3 34a_100009867704_100009818527 [0,1,0,1,0,0|2,0,0]=4 21303 B18R3.89316 Clc1nccc2c1ccc(c2)OC3COC3 7a_100009867704_100009818527 [0,1,0,1,0,0|2,0,0]=4 21304 B18R3.89316 Fc1cccc2c1ncc(c2)OC3CCC3 34a_100012184956_100000749161 [0,1,0,1,0,0|1,0,0]=3 21305 B18R3.89316 Fc1cccc2c1ncc(c2)OC3COC3 34a_100012184956_100009818527 [0,1,0,1,0,0|2,0,0]=4 21306 B18R3.89316 Fc1cccc2c1ncc(c2)OC3COC3 7a_100012184956_100009818527 [0,1,0,1,0,0|2,0,0]=4 21307 B18R3.89316 Fc1cccc2c1ncc(c2)SC3CCC3 62a_100000049890_100000749161 [0,1,0,1,0,0|1,1,0]=4 21308 B18R3.89316 Nc1cccc2c1ccc(c2)OC3CCC3 34a_100000034668_100000749161 [0,1,0,1,0,0|0,0,0]=2 21309 B18R3.89316 Nc1cccc2c1ccc(c2)OC3COC3 34a_100000034668_100009818527 [0,1,0,1,0,0|1,0,0]=3 21310 B18R3.89316 Nc1cccc2c1ccc(c2)OC3COC3 7a_100000034668_100009818527 [0,1,0,1,0,0|1,0,0]=3 21311 B18R3.89316 Nc1cccc2c1ccc(c2)SC3CCC3 62a_100010090037_100000749161 [0,1,0,1,0,0|0,1,0]=3 21312 B18R3.89316 Nc1cccc2c1ccc(c2)SC3COC3 62a_100010090037_100009818527 [0,1,0,1,0,0|1,1,0]=4 21313 B18R3.89316 Nc1ccnc2c1ccc(c2)SC3CCC3 62a_200009816820_100000749161 [0,1,0,1,0,0|1,1,0]=4 21314 B18R3.89316 Nc1nccc2c1ccc(c2)SC3CCC3 62a_100000732483_100000749161 [0,1,0,1,0,0|1,1,0]=4 21315 B18R3.89316 O=c1[nH]ccc2c1ccc(c2)OC3CCC3 34a_100009857879_100000749161 [0,1,0,1,0,0|1,0,0]=3 21316 B18R3.89316 O=c1[nH]ccc2c1ccc(c2)OC3COC3 34a_100009857879_100009818527 [0,1,0,1,0,0|2,0,0]=4 21317 B18R3.89316 O=c1[nH]ccc2c1ccc(c2)OC3COC3 7a_100009857879_100009818527 [0,1,0,1,0,0|2,0,0]=4 21318 B18R3.89316 O=c1ccoc2c1ccc(c2)OC3CCC3 34a_200000065989_100000749161 [0,1,0,1,0,0|1,0,0]=3 21319 B18R3.89316 O=c1ccoc2c1ccc(c2)OC3COC3 34a_200000065989_100009818527 [0,1,0,1,0,0|2,0,0]=4 21320 B18R3.89316 O=c1ccoc2c1ccc(c2)OC3COC3 7a_200000065989_100009818527 [0,1,0,1,0,0|2,0,0]=4 21321 B18R3.89316 Oc1cccc2c1ccc(c2)NC3CCC3 34a_100000035793_100000749161 [0,1,0,1,0,0|1,0,0]=3 21322 B18R3.89316 Oc1cccc2c1ccc(c2)NC3COC3 34a_100000035793_100009818527 [0,1,0,1,0,0|2,0,0]=4 21323 B18R3.89316 Oc1cccc2c1ccc(c2)NC3COC3 7a_100000035793_100009818527 [0,1,0,1,0,0|2,0,0]=4 21324 B18R3.89318 Brc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100010204298 [0,1,0,1,0,0|1,1,0]=4 21325 B18R3.89318 Brc1cccc2c1ncc(c2)SCC3CC3 62a_100010204298_100000742324 [0,1,0,1,0,0|1,1,0]=4 21326 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CC3 34a_100010204257_100000742324 [0,1,0,1,0,0|1,0,0]=3 21327 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CC3 7a_100010204257_100000742324 [0,1,0,1,0,0|1,0,0]=3 21328 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CO3 34a_100010204257_102125554688 [0,1,0,1,0,0|2,0,0]=4 21329 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CO3 7a_100010204257_102125554688 [0,1,0,1,0,0|2,0,0]=4 21330 B18R3.89318 Brc1ccnc2c1ccc(c2)OCC3CS3 7a_100010204257_100000031435 [0,1,0,1,0,0|2,0,0]=4 21331 B18R3.89318 Brc1ccnc2c1ccc(c2)OC[C@@H]3CO3 7a_100010204257_100000745022 [0,1,0,1,0,0|2,0,0]=4 21332 B18R3.89318 Cc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100009829671 [0,1,0,1,0,0|1,1,0]=4 21333 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CC3 34a_200009854145_100000742324 [0,1,0,1,0,0|1,0,0]=3 21334 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CC3 7a_200009854145_100000742324 [0,1,0,1,0,0|1,0,0]=3 21335 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CO3 34a_200009854145_102125554688 [0,1,0,1,0,0|2,0,0]=4 21336 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CO3 7a_200009854145_102125554688 [0,1,0,1,0,0|2,0,0]=4 21337 B18R3.89318 Cc1ccnc2c1ccc(c2)OCC3CS3 7a_200009854145_100000031435 [0,1,0,1,0,0|2,0,0]=4 21338 B18R3.89318 Cc1ccnc2c1ccc(c2)OC[C@@H]3CO3 7a_200009854145_100000745022 [0,1,0,1,0,0|2,0,0]=4 21339 B18R3.89318 Cc1ccnc2c1ccc(c2)SCC3CC3 62a_100000756562_100010132309 [0,1,0,1,0,0|1,1,0]=4 21340 B18R3.89318 Cc1ccnc2c1ccc(c2)SCC3CC3 62a_100010132309_100000742324 [0,1,0,1,0,0|1,1,0]=4 21341 B18R3.89318 Clc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100000759377 [0,1,0,1,0,0|1,1,0]=4 21342 B18R3.89318 Clc1ccnc2c1ccc(c2)NCC3CC3 27a_100000735609_100009996786 [0,1,0,1,0,0|2,0,0]=4 21343 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CC3 34a_100000045489_100000742324 [0,1,0,1,0,0|1,0,0]=3 21344 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CC3 7a_100000045489_100000742324 [0,1,0,1,0,0|1,0,0]=3 21345 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CO3 34a_100000045489_102125554688 [0,1,0,1,0,0|2,0,0]=4 21346 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CO3 7a_100000045489_102125554688 [0,1,0,1,0,0|2,0,0]=4 21347 B18R3.89318 Clc1ccnc2c1ccc(c2)OCC3CS3 7a_100000045489_100000031435 [0,1,0,1,0,0|2,0,0]=4 21348 B18R3.89318 Clc1ccnc2c1ccc(c2)OC[C@@H]3CO3 7a_100000045489_100000745022 [0,1,0,1,0,0|2,0,0]=4 21349 B18R3.89318 Clc1ccnc2c1ccc(c2)SCC3CC3 62a_100000756562_100009996786 [0,1,0,1,0,0|1,1,0]=4 21350 B18R3.89318 Clc1ccnc2c1ccc(c2)SCC3CC3 62a_100009996786_100000742324 [0,1,0,1,0,0|1,1,0]=4 21351 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CC3 34a_100009867704_100000742324 [0,1,0,1,0,0|1,0,0]=3 21352 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CC3 7a_100009867704_100000742324 [0,1,0,1,0,0|1,0,0]=3 21353 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CO3 34a_100009867704_102125554688 [0,1,0,1,0,0|2,0,0]=4 21354 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CO3 7a_100009867704_102125554688 [0,1,0,1,0,0|2,0,0]=4 21355 B18R3.89318 Clc1nccc2c1ccc(c2)OCC3CS3 7a_100009867704_100000031435 [0,1,0,1,0,0|2,0,0]=4 21356 B18R3.89318 Clc1nccc2c1ccc(c2)OC[C@@H]3CO3 7a_100009867704_100000745022 [0,1,0,1,0,0|2,0,0]=4 21357 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CC3 34a_100012184956_100000742324 [0,1,0,1,0,0|1,0,0]=3 21358 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CC3 7a_100012184956_100000742324 [0,1,0,1,0,0|1,0,0]=3 21359 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CO3 34a_100012184956_102125554688 [0,1,0,1,0,0|2,0,0]=4 21360 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CO3 7a_100012184956_102125554688 [0,1,0,1,0,0|2,0,0]=4 21361 B18R3.89318 Fc1cccc2c1ncc(c2)OCC3CS3 7a_100012184956_100000031435 [0,1,0,1,0,0|2,0,0]=4 21362 B18R3.89318 Fc1cccc2c1ncc(c2)OC[C@@H]3CO3 7a_100012184956_100000745022 [0,1,0,1,0,0|2,0,0]=4 21363 B18R3.89318 Fc1cccc2c1ncc(c2)SCC3CC3 62a_100000049890_100000742324 [0,1,0,1,0,0|1,1,0]=4 21364 B18R3.89318 Fc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100000049890 [0,1,0,1,0,0|1,1,0]=4 21365 B18R3.89318 Nc1cccc2c1ccc(c2)C#CC3CC3 271570a_200009880635_100010090037 [0,1,0,1,0,0|1,0,1]=4 21366 B18R3.89318 Nc1cccc2c1ccc(c2)C=CC3CC3 271570a_100102526188_100010090037 [0,1,0,1,0,0|1,0,1]=4 21367 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CC3 34a_100000034668_100000742324 [0,1,0,1,0,0|0,0,0]=2 21368 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CC3 7a_100000034668_100000742324 [0,1,0,1,0,0|0,0,0]=2 21369 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CO3 34a_100000034668_102125554688 [0,1,0,1,0,0|1,0,0]=3 21370 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CO3 7a_100000034668_102125554688 [0,1,0,1,0,0|1,0,0]=3 21371 B18R3.89318 Nc1cccc2c1ccc(c2)OCC3CS3 7a_100000034668_100000031435 [0,1,0,1,0,0|1,0,0]=3 21372 B18R3.89318 Nc1cccc2c1ccc(c2)OC[C@@H]3CO3 7a_100000034668_100000745022 [0,1,0,1,0,0|1,0,0]=3 21373 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CC3 62a_100000756562_100010090037 [0,1,0,1,0,0|0,1,0]=3 21374 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CC3 62a_100010090037_100000742324 [0,1,0,1,0,0|0,1,0]=3 21375 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CO3 62a_100010090037_102125554688 [0,1,0,1,0,0|1,1,0]=4 21376 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CO3 62a_102125554688_100010090037 [0,1,0,1,0,0|1,1,0]=4 21377 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CS3 62a_100000031435_100010090037 [0,1,0,1,0,0|1,1,0]=4 21378 B18R3.89318 Nc1cccc2c1ccc(c2)SCC3CS3 62a_100010090037_100000031435 [0,1,0,1,0,0|1,1,0]=4 21379 B18R3.89318 Nc1cccc2c1ccc(c2)SC[C@@H]3CO3 62a_100000745022_100010090037 [0,1,0,1,0,0|1,1,0]=4 21380 B18R3.89318 Nc1cccc2c1ccc(c2)SC[C@@H]3CO3 62a_100010090037_100000745022 [0,1,0,1,0,0|1,1,0]=4 21381 B18R3.89318 Nc1cccc2c1ncc(c2)SCC3CC3 62a_100000756562_100000702407 [0,1,0,1,0,0|1,1,0]=4 21382 B18R3.89318 Nc1ccnc2c1ccc(c2)SCC3CC3 62a_200009816820_100000742324 [0,1,0,1,0,0|1,1,0]=4 21383 B18R3.89318 Nc1nccc2c1ccc(c2)SCC3CC3 62a_100000732483_100000742324 [0,1,0,1,0,0|1,1,0]=4 21384 B18R3.89318 Nc1nccc2c1ccc(c2)SCC3CC3 62a_100000756562_100000732483 [0,1,0,1,0,0|1,1,0]=4 21385 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CC3 34a_100009857879_100000742324 [0,1,0,1,0,0|1,0,0]=3 21386 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CC3 7a_100009857879_100000742324 [0,1,0,1,0,0|1,0,0]=3 21387 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CO3 34a_100009857879_102125554688 [0,1,0,1,0,0|2,0,0]=4 21388 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CO3 7a_100009857879_102125554688 [0,1,0,1,0,0|2,0,0]=4 21389 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OCC3CS3 7a_100009857879_100000031435 [0,1,0,1,0,0|2,0,0]=4 21390 B18R3.89318 O=c1[nH]ccc2c1ccc(c2)OC[C@@H]3CO3 7a_100009857879_100000745022 [0,1,0,1,0,0|2,0,0]=4 21391 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CC3 34a_200000065989_100000742324 [0,1,0,1,0,0|1,0,0]=3 21392 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CC3 7a_200000065989_100000742324 [0,1,0,1,0,0|1,0,0]=3 21393 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CO3 34a_200000065989_102125554688 [0,1,0,1,0,0|2,0,0]=4 21394 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CO3 7a_200000065989_102125554688 [0,1,0,1,0,0|2,0,0]=4 21395 B18R3.89318 O=c1ccoc2c1ccc(c2)OCC3CS3 7a_200000065989_100000031435 [0,1,0,1,0,0|2,0,0]=4 21396 B18R3.89318 O=c1ccoc2c1ccc(c2)OC[C@@H]3CO3 7a_200000065989_100000745022 [0,1,0,1,0,0|2,0,0]=4 21397 B18R3.89318 O=c1ccoc2c1ccc(c2)SCC3CC3 62a_100000756562_100010062221 [0,1,0,1,0,0|1,1,0]=4 21398 B18R3.89318 Oc1cccc2c1ccc(c2)C#CC3CC3 271570a_200009880635_100010202202 [0,1,0,1,0,0|1,0,1]=4 21399 B18R3.89318 Oc1cccc2c1ccc(c2)C=CC3CC3 271570a_100102526188_100010202202 [0,1,0,1,0,0|1,0,1]=4 21400 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CC3 34a_100000035793_100000742324 [0,1,0,1,0,0|1,0,0]=3 21401 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CC3 7a_100000035793_100000742324 [0,1,0,1,0,0|1,0,0]=3 21402 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CO3 34a_100000035793_102125554688 [0,1,0,1,0,0|2,0,0]=4 21403 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CO3 7a_100000035793_102125554688 [0,1,0,1,0,0|2,0,0]=4 21404 B18R3.89318 Oc1cccc2c1ccc(c2)NCC3CS3 7a_100000035793_100000031435 [0,1,0,1,0,0|2,0,0]=4 21405 B18R3.89318 Oc1cccc2c1ccc(c2)NC[C@@H]3CO3 7a_100000035793_100000745022 [0,1,0,1,0,0|2,0,0]=4 21406 B18R3.89318 Oc1cccc2c1ccc(c2)SCC3CC3 62a_100000756562_100010202202 [0,1,0,1,0,0|0,1,0]=3 21407 B18R3.89318 Oc1cccc2c1ccc(c2)SCC3CO3 62a_102125554688_100010202202 [0,1,0,1,0,0|1,1,0]=4 21408 B18R3.89318 Oc1cccc2c1ccc(c2)SCC3CS3 62a_100000031435_100010202202 [0,1,0,1,0,0|1,1,0]=4 21409 B18R3.89318 Oc1cccc2c1ccc(c2)SC[C@@H]3CO3 62a_100000745022_100010202202 [0,1,0,1,0,0|1,1,0]=4 21410 B18R3.89318 Oc1ccnc2c1ccc(c2)SCC3CC3 62a_100000756562_100000756855 [0,1,0,1,0,0|1,1,0]=4 21411 B18R3.89318 Oc1nccc2c1ccc(c2)SCC3CC3 62a_100000756562_100000760485 [0,1,0,1,0,0|1,1,0]=4 21412 B14R1.121 C=CC(=NNCCC)c1ccccc1 4a_100000740057_200000750708 [0,0,1,0,1,0|2,0,0]=4 21413 B14R1.121 C=CC(NCCCC)c1ccccc1 2230a_100000102301_200000085779 [0,0,1,0,1,0|1,0,1]=4 21414 B14R1.121 C=CC(OCCCC)c1ccccc1 34a_100011215659_100000210210 [0,0,1,0,1,0|0,0,1]=3 21415 B14R1.121 C=CC(OCCCC)c1ccccc1 7a_100011215659_100000210211 [0,0,1,0,1,0|0,0,1]=3 21416 B14R1.121 C=CC(OCCCF)c1ccccc1 34a_100011215659_100011934791 [0,0,1,0,1,0|1,0,1]=4 21417 B14R1.121 C=CC(OCCCF)c1ccccc1 7a_100011215659_100011934791 [0,0,1,0,1,0|1,0,1]=4 21418 B14R1.121 C=CC(OCCCO)c1ccccc1 34a_100011215659_100000230001 [0,0,1,0,1,0|1,0,1]=4 21419 B14R1.121 C=CC(OCCCO)c1ccccc1 7a_100011215659_100011215043 [0,0,1,0,1,0|1,0,1]=4 21420 B14R1.121 C=CC(OCCOC)c1ccccc1 34a_100011215659_100011201679 [0,0,1,0,1,0|1,0,1]=4 21421 B14R1.121 C=CC(OCCOC)c1ccccc1 7a_100011215659_100000233755 [0,0,1,0,1,0|1,0,1]=4 21422 B14R1.121 C=CC(OCCSC)c1ccccc1 34a_100011215659_100000212216 [0,0,1,0,1,0|1,0,1]=4 21423 B14R1.121 C=CC(OCCSC)c1ccccc1 7a_100011215659_100000212216 [0,0,1,0,1,0|1,0,1]=4 21424 B14R1.121 C=CC(SCCCC)c1ccccc1 62a_100000210211_200000085779 [0,0,1,0,1,0|0,1,1]=4 21425 B14R1.121 C=CC(SCCCC)c1ccccc1 62a_200000085779_100000210210 [0,0,1,0,1,0|0,1,1]=4 21426 B14R2.3 CCCCc1c[nH]c2c1cccn2 271570a_100020621405_100011934613 [1,0,0,0,1,0|2,0,0]=4 21427 B14R2.3 CCCCc1c[nH]c2c1ccnc2 271570a_100020621405_100010232032 [1,0,0,0,1,0|2,0,0]=4 21428 B14R2.3 CCCCc1c[nH]c2c1cncc2 271570a_100020621405_100011934843 [1,0,0,0,1,0|2,0,0]=4 21429 B14R2.3 CCCCc1c[nH]c2c1nccc2 271570a_100020621405_100009817151 [1,0,0,0,1,0|2,0,0]=4 21430 B14R2.3 CCCCc1cnc2n1cccc2 271570a_100020621405_100011219245 [1,0,0,0,1,0|2,0,0]=4 21431 B14R2.3 CCCCc1cnn2c1cccc2 271570a_100020621405_100009817726 [1,0,0,0,1,0|2,0,0]=4 21432 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [1,0,0,0,1,0|1,0,0]=3 21433 B14R2.3 CCCCc1coc2c1nccc2 271570a_100020621405_100009889148 [1,0,0,0,1,0|2,0,0]=4 21434 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [1,0,0,0,1,0|1,0,0]=3 21435 B14R2.3 CCCCc1csc2c1cccn2 271570a_100020621405_100009830249 [1,0,0,0,1,0|2,0,0]=4 21436 B14R2.3 CCCCc1csc2c1ccnc2 271570a_100020621405_100009817111 [1,0,0,0,1,0|2,0,0]=4 21437 B14R2.3 CCCCc1csc2c1cncc2 271570a_100020621405_100010247091 [1,0,0,0,1,0|2,0,0]=4 21438 B14R2.3 CCCCc1csc2c1nccc2 271570a_100020621405_100010247092 [1,0,0,0,1,0|2,0,0]=4 21439 B14R2.3 CCCCc1n[nH]c2c1cccc2 271570a_100020621405_100000050141 [1,0,0,0,1,0|2,0,0]=4 21440 B14R2.3 CCCCc1ncn2c1cccc2 271570a_100020621405_100000688344 [1,0,0,0,1,0|2,0,0]=4 21441 B14R2.3 CCCOc1csc2c1cccc2 34a_100000077758_100000210303 [1,0,0,0,1,0|1,0,0]=3 21442 B14R2.3 CCCOc1csc2c1cccc2 7a_100000077758_100000210303 [1,0,0,0,1,0|1,0,0]=3 21443 B14R2.3 CCCSc1coc2c1cccc2 62a_100000210303_100009812202 [1,0,0,0,1,0|1,1,0]=4 21444 B14R2.3 CCCSc1csc2c1cccc2 62a_100000210303_100009813928 [1,0,0,0,1,0|1,1,0]=4 21445 B14R2.3 CCNCc1coc2c1cccc2 207a_100015525214_100000688544 [1,0,0,0,1,0|2,0,0]=4 21446 B14R2.3 CCNCc1coc2c1cccc2 270004a_100015525214_100000688544 [1,0,0,0,1,0|2,0,0]=4 21447 B14R2.3 CCNCc1csc2c1cccc2 207a_100015525214_100000239721 [1,0,0,0,1,0|2,0,0]=4 21448 B14R2.3 CCNCc1csc2c1cccc2 2230a_100015525214_200000742921 [1,0,0,0,1,0|2,0,0]=4 21449 B14R2.3 CCNCc1csc2c1cccc2 270004a_100015525214_100000239721 [1,0,0,0,1,0|2,0,0]=4 21450 B14R2.3 CCNCc1csc2c1cccc2 34a_100000744611_100000210202 [1,0,0,0,1,0|2,0,0]=4 21451 B14R2.3 CCOCc1csc2c1cccc2 34a_100011219454_100000210202 [1,0,0,0,1,0|2,0,0]=4 21452 B14R2.3 CCOCc1csc2c1cccc2 34a_100121572206_200000742921 [1,0,0,0,1,0|2,0,0]=4 21453 B14R2.3 CCSCc1csc2c1cccc2 62a_100000210202_200000742921 [1,0,0,0,1,0|2,0,0]=4 21454 B14R2.3 CCSCc1csc2c1cccc2 62a_200000742921_100000210202 [1,0,0,0,1,0|2,0,0]=4 21455 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_100000211132_200000210301 [1,0,0,0,1,0|2,0,0]=4 21456 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_106832991635_100011218569 [1,0,0,0,1,0|2,0,0]=4 21457 B14R2.3 CNCCc1c[nH]c2c1cccc2 34a_100102657272_100011218569 [1,0,0,0,1,0|2,0,0]=4 21458 B14R2.3 CNCCc1c[nH]c2c1cccc2 7a_106832991635_100011218569 [1,0,0,0,1,0|2,0,0]=4 21459 B14R2.3 CNCCc1coc2c1cccc2 2230a_100011934666_200000210301 [1,0,0,0,1,0|2,0,0]=4 21460 B14R2.3 CNCCc1coc2c1cccc2 34a_100011934666_200000210301 [1,0,0,0,1,0|2,0,0]=4 21461 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100000752351_200000210301 [1,0,0,0,1,0|2,0,0]=4 21462 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100138415774_100011218569 [1,0,0,0,1,0|2,0,0]=4 21463 B14R2.3 COCCn1ccc2c1cccc2 34a_100011926976_200000210301 [1,0,0,0,1,0|2,0,0]=4 21464 B14R2.3 CSCCc1c[nH]c2c1cccc2 62a_200000210301_100011218569 [1,0,0,0,1,0|2,0,0]=4 21465 B14R2.3 CSCOc1csc2c1cccc2 34a_100000077758_100011218213 [1,0,0,0,1,0|2,0,0]=4 21466 B14R2.3 FCCOc1csc2c1cccc2 34a_100000077758_100011217306 [1,0,0,0,1,0|2,0,0]=4 21467 B14R2.3 FCCOc1csc2c1cccc2 7a_100000077758_100011217306 [1,0,0,0,1,0|2,0,0]=4 21468 B14R2.3 OCCOc1csc2c1cccc2 34a_100000077758_100000211926 [1,0,0,0,1,0|2,0,0]=4 21469 B14R2.3 OCCOc1csc2c1cccc2 7a_100000077758_100000211926 [1,0,0,0,1,0|2,0,0]=4 21470 B14R2.3 [13CH3]NCCc1c[nH]c2c1cccc2 2230a_100000211132_200025704644 [1,0,0,0,1,0|2,0,0]=4 21471 B14R2.3 [13CH3]NCCc1coc2c1cccc2 2230a_100011934666_200025704644 [1,0,0,0,1,0|2,0,0]=4 21472 B14R2.3 [13CH3]NCCc1coc2c1cccc2 34a_100011934666_200025704644 [1,0,0,0,1,0|2,0,0]=4 21473 B14R2.3 [13CH3]OCCc1c[nH]c2c1cccc2 34a_100000752351_200025704644 [1,0,0,0,1,0|2,0,0]=4 21474 B14R2.3 [13CH3]OCCn1ccc2c1cccc2 34a_100011926976_200025704644 [1,0,0,0,1,0|2,0,0]=4 21475 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccc2 62a_200025704644_100011218569 [1,0,0,0,1,0|2,0,0]=4 21476 B14R2.67 CCCCc1cc2ccccc2[nH]1 271570a_100020621405_100010232065 [1,0,0,0,1,0|1,0,0]=3 21477 B14R2.67 CCCCc1cc2ccccc2o1 271570a_100020621405_100010159458 [1,0,0,0,1,0|1,0,0]=3 21478 B14R2.67 CCCCc1cc2ccccc2s1 271570a_100020621405_100009816949 [1,0,0,0,1,0|1,0,0]=3 21479 B14R2.67 CCCCc1cc2cccnc2[nH]1 271570a_100020621405_100010079843 [1,0,0,0,1,0|2,0,0]=4 21480 B14R2.67 CCCCc1cn2ccccc2n1 271570a_100020621405_100009819586 [1,0,0,0,1,0|2,0,0]=4 21481 B14R2.67 CCCCc1nc2ccccc2[nH]1 271570a_100020621405_100009814255 [1,0,0,0,1,0|2,0,0]=4 21482 B14R2.67 CCCCc1nc2ccccc2s1 271570a_100020621405_100000751744 [1,0,0,0,1,0|2,0,0]=4 21483 B14R2.67 CCCSc1cc2ccccc2[nH]1 62a_100000210303_100010232065 [1,0,0,0,1,0|1,1,0]=4 21484 B14R2.67 CCCSc1cc2ccccc2o1 62a_100000210303_100010159458 [1,0,0,0,1,0|1,1,0]=4 21485 B14R2.67 CCCSc1cc2ccccc2s1 62a_100000210303_100009816949 [1,0,0,0,1,0|1,1,0]=4 21486 B14R2.67 CCNCc1cc2ccccc2[nH]1 270004a_100015525214_100000051030 [1,0,0,0,1,0|2,0,0]=4 21487 B14R2.67 CCNCc1cc2ccccc2o1 207a_100015525214_100000229944 [1,0,0,0,1,0|2,0,0]=4 21488 B14R2.67 CCNCc1cc2ccccc2o1 270004a_100015525214_100000229944 [1,0,0,0,1,0|2,0,0]=4 21489 B14R2.67 CCNCc1cc2ccccc2s1 207a_100015525214_100000686906 [1,0,0,0,1,0|2,0,0]=4 21490 B14R2.67 CCNCc1cc2ccccc2s1 2230a_100015187092_100000210202 [1,0,0,0,1,0|2,0,0]=4 21491 B14R2.67 CCNCc1cc2ccccc2s1 270004a_100015525214_100000686906 [1,0,0,0,1,0|2,0,0]=4 21492 B14R2.67 CCOCc1cc2ccccc2o1 34a_100000233474_100000210202 [1,0,0,0,1,0|2,0,0]=4 21493 B14R2.67 CCOCc1cc2ccccc2o1 7a_100000233474_100000210202 [1,0,0,0,1,0|2,0,0]=4 21494 B14R2.67 COCCc1cc2ccccc2o1 34a_100011996023_200000210301 [1,0,0,0,1,0|2,0,0]=4 21495 B14R2.67 COCCc1cc2ccccc2o1 7a_100011996023_200000210301 [1,0,0,0,1,0|2,0,0]=4 21496 B14R2.67 [13CH3]OCCc1cc2ccccc2o1 34a_100011996023_200025704644 [1,0,0,0,1,0|2,0,0]=4 21497 B14R2.67 [13CH3]OCCc1cc2ccccc2o1 7a_100011996023_200025704644 [1,0,0,0,1,0|2,0,0]=4 21498 B14R2.991 CCCCc1cc2[nH]ccc2cn1 271570a_100020621405_100000089685 [1,0,0,0,1,0|2,0,0]=4 21499 B14R2.991 CCCCc1cc2cc[nH]c2cn1 271570a_100020621405_100009864809 [1,0,0,0,1,0|2,0,0]=4 21500 B14R2.991 CCCCc1cc2sccc2cn1 271570a_100020621405_200016184645 [1,0,0,0,1,0|2,0,0]=4 21501 B14R2.991 CCCCc1ccc2[nH]ccc2c1 271570a_100020621405_100000211741 [1,0,0,0,1,0|1,0,0]=3 21502 B14R2.991 CCCCc1ccc2[nH]ccc2n1 271570a_100020621405_100000087148 [1,0,0,0,1,0|2,0,0]=4 21503 B14R2.991 CCCCc1ccc2[nH]cnc2c1 271570a_100020621405_100011265325 [1,0,0,0,1,0|2,0,0]=4 21504 B14R2.991 CCCCc1ccc2[nH]ncc2c1 271570a_100020621405_100000049815 [1,0,0,0,1,0|2,0,0]=4 21505 B14R2.991 CCCCc1ccc2c(c1)C=CC2 271570a_100020621405_100009814306 [1,0,0,0,1,0|0,0,1]=3 21506 B14R2.991 CCCCc1ccc2c(c1)CC=C2 271570a_100020621405_200009818231 [1,0,0,0,1,0|0,0,1]=3 21507 B14R2.991 CCCCc1ccc2cc[nH]c2c1 271570a_100020621405_100000743809 [1,0,0,0,1,0|1,0,0]=3 21508 B14R2.991 CCCCc1ccc2cc[nH]c2n1 271570a_100020621405_100009814870 [1,0,0,0,1,0|2,0,0]=4 21509 B14R2.991 CCCCc1ccc2ccnn2c1 271570a_100020621405_100009820231 [1,0,0,0,1,0|2,0,0]=4 21510 B14R2.991 CCCCc1ccc2ccoc2c1 271570a_100020621405_100000759542 [1,0,0,0,1,0|1,0,0]=3 21511 B14R2.991 CCCCc1ccc2ccsc2c1 271570a_100020621405_100009888917 [1,0,0,0,1,0|1,0,0]=3 21512 B14R2.991 CCCCc1ccc2cn[nH]c2c1 271570a_100020621405_100000049514 [1,0,0,0,1,0|2,0,0]=4 21513 B14R2.991 CCCCc1ccc2cncn2c1 271570a_100020621405_100009887162 [1,0,0,0,1,0|2,0,0]=4 21514 B14R2.991 CCCCc1ccc2cnoc2c1 271570a_100020621405_100009817722 [1,0,0,0,1,0|2,0,0]=4 21515 B14R2.991 CCCCc1ccc2cscc2c1 271570a_100020621405_200010760811 [1,0,0,0,1,0|1,0,0]=3 21516 B14R2.991 CCCCc1ccc2csnc2c1 271570a_100020621405_100010170880 [1,0,0,0,1,0|2,0,0]=4 21517 B14R2.991 CCCCc1ccc2nccn2c1 271570a_100020621405_100000746083 [1,0,0,0,1,0|2,0,0]=4 21518 B14R2.991 CCCCc1ccc2ncoc2c1 271570a_100020621405_100009817590 [1,0,0,0,1,0|2,0,0]=4 21519 B14R2.991 CCCCc1ccc2ncsc2c1 271570a_100020621405_100009816678 [1,0,0,0,1,0|2,0,0]=4 21520 B14R2.991 CCCCc1ccc2occc2c1 271570a_100020621405_100012343831 [1,0,0,0,1,0|1,0,0]=3 21521 B14R2.991 CCCCc1ccc2occc2n1 271570a_100020621405_100009851292 [1,0,0,0,1,0|2,0,0]=4 21522 B14R2.991 CCCCc1ccc2ocnc2c1 271570a_100020621405_100009816175 [1,0,0,0,1,0|2,0,0]=4 21523 B14R2.991 CCCCc1ccc2oncc2c1 271570a_100020621405_100009817723 [1,0,0,0,1,0|2,0,0]=4 21524 B14R2.991 CCCCc1ccc2sccc2c1 271570a_100020621405_100009814439 [1,0,0,0,1,0|1,0,0]=3 21525 B14R2.991 CCCCc1ccc2sccc2n1 271570a_100020621405_100012000956 [1,0,0,0,1,0|2,0,0]=4 21526 B14R2.991 CCCCc1ccc2scnc2c1 271570a_100020621405_100010005895 [1,0,0,0,1,0|2,0,0]=4 21527 B14R2.991 CCCCc1ccn2ccnc2c1 271570a_100020621405_100009816855 [1,0,0,0,1,0|2,0,0]=4 21528 B14R2.991 CCCCc1ccn2nccc2c1 271570a_100020621405_100000763084 [1,0,0,0,1,0|2,0,0]=4 21529 B14R2.991 CCCCc1cnc2[nH]ccc2c1 271570a_100020621405_100000760471 [1,0,0,0,1,0|2,0,0]=4 21530 B14R2.991 CCCCc1cnc2cc[nH]c2c1 271570a_100020621405_100009818992 [1,0,0,0,1,0|2,0,0]=4 21531 B14R2.991 CCCCc1cnc2sccc2c1 271570a_100020621405_100010135160 [1,0,0,0,1,0|2,0,0]=4 21532 B14R2.991 CCCNc1ccc2ccoc2c1 34a_100000102395_100000210303 [1,0,0,0,1,0|2,0,0]=4 21533 B14R2.991 CCCNc1ccc2occc2c1 34a_106430523501_100000210303 [1,0,0,0,1,0|2,0,0]=4 21534 B14R2.991 CCCNc1ccc2sccc2c1 34a_100000681076_100000210303 [1,0,0,0,1,0|2,0,0]=4 21535 B14R2.991 CCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210303 [1,0,0,0,1,0|1,0,0]=3 21536 B14R2.991 CCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210303 [1,0,0,0,1,0|1,0,0]=3 21537 B14R2.991 CCCOc1ccc2ccoc2c1 34a_100000089557_100000210303 [1,0,0,0,1,0|1,0,0]=3 21538 B14R2.991 CCCOc1ccc2ccoc2c1 7a_100000089557_100000210303 [1,0,0,0,1,0|1,0,0]=3 21539 B14R2.991 CCCOc1ccc2cnoc2c1 34a_100000098417_100000210303 [1,0,0,0,1,0|2,0,0]=4 21540 B14R2.991 CCCOc1ccc2cnoc2c1 7a_100000098417_100000210303 [1,0,0,0,1,0|2,0,0]=4 21541 B14R2.991 CCCOc1ccc2ncsc2c1 34a_100011995850_100000210303 [1,0,0,0,1,0|2,0,0]=4 21542 B14R2.991 CCCOc1ccc2ncsc2c1 7a_100011995850_100000210303 [1,0,0,0,1,0|2,0,0]=4 21543 B14R2.991 CCCOc1ccc2occc2c1 34a_100000070125_100000210303 [1,0,0,0,1,0|1,0,0]=3 21544 B14R2.991 CCCOc1ccc2occc2c1 7a_100000070125_100000210303 [1,0,0,0,1,0|1,0,0]=3 21545 B14R2.991 CCCOc1ccc2sccc2c1 34a_100012180905_100000210303 [1,0,0,0,1,0|1,0,0]=3 21546 B14R2.991 CCCOc1ccc2sccc2c1 7a_100012180905_100000210303 [1,0,0,0,1,0|1,0,0]=3 21547 B14R2.991 CCCOc1ccc2scnc2c1 34a_200009850626_100000210303 [1,0,0,0,1,0|2,0,0]=4 21548 B14R2.991 CCCOc1ccc2scnc2c1 7a_200009850626_100000210303 [1,0,0,0,1,0|2,0,0]=4 21549 B14R2.991 CCCOc1ccn2ccnc2c1 34a_100009863278_100000210303 [1,0,0,0,1,0|2,0,0]=4 21550 B14R2.991 CCCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210303 [1,0,0,0,1,0|2,0,0]=4 21551 B14R2.991 CCCSc1ccc2[nH]ccc2c1 62a_100000210303_100000035808 [1,0,0,0,1,0|1,1,0]=4 21552 B14R2.991 CCCSc1ccc2c(c1)C=CC2 62a_100000210303_100009814306 [1,0,0,0,1,0|0,1,1]=4 21553 B14R2.991 CCCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210303 [1,0,0,0,1,0|0,1,1]=4 21554 B14R2.991 CCCSc1ccc2c(c1)CC=C2 62a_100000210303_200009818231 [1,0,0,0,1,0|0,1,1]=4 21555 B14R2.991 CCCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210303 [1,0,0,0,1,0|0,1,1]=4 21556 B14R2.991 CCCSc1ccc2cc[nH]c2c1 62a_100000210303_100000743809 [1,0,0,0,1,0|1,1,0]=4 21557 B14R2.991 CCCSc1ccc2ccoc2c1 62a_100000210303_100000759542 [1,0,0,0,1,0|1,1,0]=4 21558 B14R2.991 CCCSc1ccc2ccsc2c1 62a_100000210303_100009888917 [1,0,0,0,1,0|1,1,0]=4 21559 B14R2.991 CCCSc1ccc2cscc2c1 62a_100000210303_200010760811 [1,0,0,0,1,0|1,1,0]=4 21560 B14R2.991 CCCSc1ccc2occc2c1 62a_100000210303_100000691453 [1,0,0,0,1,0|1,1,0]=4 21561 B14R2.991 CCCSc1ccc2sccc2c1 62a_100000210303_100009814439 [1,0,0,0,1,0|1,1,0]=4 21562 B14R2.991 CCNCc1ccc2[nH]ccc2c1 207a_100015525214_100011197475 [1,0,0,0,1,0|2,0,0]=4 21563 B14R2.991 CCNCc1ccc2[nH]ccc2c1 270004a_100015525214_100011197475 [1,0,0,0,1,0|2,0,0]=4 21564 B14R2.991 CCNCc1ccc2cc[nH]c2c1 207a_100015525214_100011218920 [1,0,0,0,1,0|2,0,0]=4 21565 B14R2.991 CCNCc1ccc2cc[nH]c2c1 270004a_100015525214_100011218920 [1,0,0,0,1,0|2,0,0]=4 21566 B14R2.991 CCNCc1ccc2ccsc2c1 207a_100015525214_100000112508 [1,0,0,0,1,0|2,0,0]=4 21567 B14R2.991 CCNCc1ccc2ccsc2c1 270004a_100015525214_100000112508 [1,0,0,0,1,0|2,0,0]=4 21568 B14R2.991 CCNCc1ccc2occc2c1 207a_100015525214_100000040644 [1,0,0,0,1,0|2,0,0]=4 21569 B14R2.991 CCNCc1ccc2occc2c1 2230a_100020591328_100000210202 [1,0,0,0,1,0|2,0,0]=4 21570 B14R2.991 CCNCc1ccc2occc2c1 270004a_100015525214_100000040644 [1,0,0,0,1,0|2,0,0]=4 21571 B14R2.991 CCNCc1ccc2occc2c1 34a_100020591328_100000210202 [1,0,0,0,1,0|2,0,0]=4 21572 B14R2.991 CCNCc1ccc2sccc2c1 207a_100015525214_100000050658 [1,0,0,0,1,0|2,0,0]=4 21573 B14R2.991 CCNCc1ccc2sccc2c1 2230a_100000732457_100000210202 [1,0,0,0,1,0|2,0,0]=4 21574 B14R2.991 CCNCc1ccc2sccc2c1 270004a_100015525214_100000050658 [1,0,0,0,1,0|2,0,0]=4 21575 B14R2.991 CCNCc1ccc2sccc2c1 34a_100000732457_100000210202 [1,0,0,0,1,0|2,0,0]=4 21576 B14R2.991 CCOCc1ccc2ccoc2c1 34a_200009859634_100000210202 [1,0,0,0,1,0|2,0,0]=4 21577 B14R2.991 CCOCc1ccc2ccoc2c1 7a_200009859634_100000210202 [1,0,0,0,1,0|2,0,0]=4 21578 B14R2.991 CCOCc1ccc2ccsc2c1 34a_100010262773_100000210202 [1,0,0,0,1,0|2,0,0]=4 21579 B14R2.991 CCOCc1ccc2ccsc2c1 7a_100010262773_100000210202 [1,0,0,0,1,0|2,0,0]=4 21580 B14R2.991 CCOCc1ccc2occc2c1 34a_100000067418_100000210202 [1,0,0,0,1,0|2,0,0]=4 21581 B14R2.991 CCOCc1ccc2occc2c1 7a_100000067418_100000210202 [1,0,0,0,1,0|2,0,0]=4 21582 B14R2.991 CCOCc1ccc2sccc2c1 34a_100000068000_100000210202 [1,0,0,0,1,0|2,0,0]=4 21583 B14R2.991 CCOCc1ccc2sccc2c1 7a_100000068000_100000210202 [1,0,0,0,1,0|2,0,0]=4 21584 B14R2.991 COCCc1ccc2sccc2c1 34a_100000087132_200000210301 [1,0,0,0,1,0|2,0,0]=4 21585 B14R2.991 COCCc1ccc2sccc2c1 7a_100000087132_200000210301 [1,0,0,0,1,0|2,0,0]=4 21586 B14R2.991 CSCOc1ccc2[nH]ccc2c1 34a_100000756620_100011218213 [1,0,0,0,1,0|2,0,0]=4 21587 B14R2.991 CSCOc1ccc2cc[nH]c2c1 34a_100000036713_100011218213 [1,0,0,0,1,0|2,0,0]=4 21588 B14R2.991 CSCOc1ccc2ccoc2c1 34a_100000089557_100011218213 [1,0,0,0,1,0|2,0,0]=4 21589 B14R2.991 CSCOc1ccc2occc2c1 34a_100000070125_100011218213 [1,0,0,0,1,0|2,0,0]=4 21590 B14R2.991 CSCOc1ccc2sccc2c1 34a_100012180905_100011218213 [1,0,0,0,1,0|2,0,0]=4 21591 B14R2.991 FCCOc1ccc2[nH]ccc2c1 34a_100000756620_100011217306 [1,0,0,0,1,0|2,0,0]=4 21592 B14R2.991 FCCOc1ccc2cc[nH]c2c1 34a_100000036713_100011217306 [1,0,0,0,1,0|2,0,0]=4 21593 B14R2.991 FCCOc1ccc2ccoc2c1 34a_100000089557_100011217306 [1,0,0,0,1,0|2,0,0]=4 21594 B14R2.991 FCCOc1ccc2ccoc2c1 7a_100000089557_100011217306 [1,0,0,0,1,0|2,0,0]=4 21595 B14R2.991 FCCOc1ccc2occc2c1 34a_100000070125_100011217306 [1,0,0,0,1,0|2,0,0]=4 21596 B14R2.991 FCCOc1ccc2occc2c1 7a_100000070125_100011217306 [1,0,0,0,1,0|2,0,0]=4 21597 B14R2.991 FCCOc1ccc2sccc2c1 34a_100012180905_100011217306 [1,0,0,0,1,0|2,0,0]=4 21598 B14R2.991 FCCOc1ccc2sccc2c1 7a_100012180905_100011217306 [1,0,0,0,1,0|2,0,0]=4 21599 B14R2.991 OCCOc1ccc2[nH]ccc2c1 34a_100000756620_100000211926 [1,0,0,0,1,0|2,0,0]=4 21600 B14R2.991 OCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000211926 [1,0,0,0,1,0|2,0,0]=4 21601 B14R2.991 OCCOc1ccc2ccoc2c1 34a_100000089557_100000211926 [1,0,0,0,1,0|2,0,0]=4 21602 B14R2.991 OCCOc1ccc2ccoc2c1 7a_100000089557_100000211926 [1,0,0,0,1,0|2,0,0]=4 21603 B14R2.991 OCCOc1ccc2occc2c1 34a_100000070125_100000211926 [1,0,0,0,1,0|2,0,0]=4 21604 B14R2.991 OCCOc1ccc2occc2c1 7a_100000070125_100000211926 [1,0,0,0,1,0|2,0,0]=4 21605 B14R2.991 OCCOc1ccc2sccc2c1 34a_100012180905_100000211926 [1,0,0,0,1,0|2,0,0]=4 21606 B14R2.991 OCCOc1ccc2sccc2c1 7a_100012180905_100000211926 [1,0,0,0,1,0|2,0,0]=4 21607 B14R2.991 [13CH3]OCCc1ccc2sccc2c1 34a_100000087132_200025704644 [1,0,0,0,1,0|2,0,0]=4 21608 B14R2.991 [13CH3]OCCc1ccc2sccc2c1 7a_100000087132_200025704644 [1,0,0,0,1,0|2,0,0]=4 21609 B14R2.16538 CCCCOC1Cc2c1cccc2 7a_100000210227_100009813401 [0,0,0,0,2,0|0,0,2]=4 21610 B16R1.1694 CCCCCC(=O)C/C=C/c1ccccc1 1458a_100000212188_100016265936 [0,0,1,0,0,1|2,0,0]=4 21611 B16R1.1694 CCCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210326 [0,0,1,0,0,1|2,0,0]=4 21612 B16R1.1694 CCCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210326 [0,0,1,0,0,1|2,0,0]=4 21613 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 11a_100000102301_100011219626 [0,0,1,0,0,1|2,0,0]=4 21614 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 1626a_100000102301_100011219626 [0,0,1,0,0,1|2,0,0]=4 21615 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 240690a_100000102301_100011219626 [0,0,1,0,0,1|2,0,0]=4 21616 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 11a_100000102301_100016262050 [0,0,1,0,0,1|2,0,0]=4 21617 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 1626a_100000102301_100016262050 [0,0,1,0,0,1|2,0,0]=4 21618 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 240690a_100000102301_100016262050 [0,0,1,0,0,1|2,0,0]=4