0 B13R2.57 C#Cc1cc2ccccc2nc1 AB13977 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.57 C#Cc1ccc2c(c1)cccn2 AB69164 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.57 C#Cc1ccc2ccccc2n1 AB48506 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.57 CNc1cc2ccccc2nc1 AB60620 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.57 CNc1ccc2ccccc2n1 AB60616 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.57 COc1ccc2c(c1)CCNC2 AB09837 [0,0,0,0,0,0|1,0,3]=4 6 B13R2.57 COc1ccc2c(c1)CNCC2 AB09126 [0,0,0,0,0,0|1,0,3]=4 7 B13R2.57 COc1ccc2c(c1)NCCC2 MB06336 [0,0,0,0,0,0|1,0,3]=4 8 B13R2.57 COc1ccc2c(c1)NCCO2 AB43971 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.57 COc1ccc2c(c1)OCCN2 MB09263 [0,0,0,0,0,0|2,0,2]=4 10 B13R2.57 COc1ccc2c(c1)OCCN2 MB11317 [0,0,0,0,0,0|2,0,2]=4 11 B13R2.57 COc1ccc2cnccc2c1 AB19119 [0,0,0,0,0,0|1,0,0]=1 12 B13R2.57 c1cc(cc2c1ccnc2)C#N MB08768 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.57 c1cc(cc2c1ccnc2)CO MB09768 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.57 c1cc2c(cc1C=O)nccn2 AB07316 [0,0,0,0,0,0|4,0,0]=4 16 B13R2.57 c1cc2c(ccc(n2)C=O)nc1 AB64522 [0,0,0,0,0,0|4,0,0]=4 17 B13R2.57 c1cc2c(ccc(n2)CN)nc1 AB68446 [0,0,0,0,0,0|4,0,0]=4 18 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.57 c1cc2cc(ccc2nc1)CO MB02978 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.57 c1cc2cc(ccc2nc1)NN AB28072 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.57 c1cc2cc(cnc2nc1)C=O AB68442 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.57 c1cc2cc(cnc2nc1)CN AB68439 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [0,0,0,0,0,0|3,0,0]=3 24 B13R2.57 c1cc2ccc(nc2nc1)C=O CB10823 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.57 c1cc2ccc(nc2nc1)CCl AB76389 [0,0,0,0,0,0|4,0,0]=4 26 B13R2.57 c1cc2cnccc2cc1C#N MB08351 [0,0,0,0,0,0|3,0,0]=3 27 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [0,0,0,0,0,0|3,0,0]=3 28 B13R2.57 c1cc2cnccc2cc1CN MB08771 [0,0,0,0,0,0|3,0,0]=3 29 B13R2.57 c1cc2cnccc2cc1CO MB09755 [0,0,0,0,0,0|3,0,0]=3 30 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N AB04718 [0,0,0,0,0,0|3,0,1]=4 31 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O AB09669 [0,0,0,0,0,0|3,0,1]=4 32 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [0,0,0,0,0,0|3,0,0]=3 33 B13R2.57 c1ccc2c(c1)cc(cn2)CCl AB14411 [0,0,0,0,0,0|3,0,0]=3 34 B13R2.57 c1ccc2c(c1)cc(cn2)CN AB06242 [0,0,0,0,0,0|3,0,0]=3 35 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [0,0,0,0,0,0|3,0,0]=3 36 B13R2.57 c1ccc2c(c1)ccc(n2)CCl AB01399 [0,0,0,0,0,0|3,0,0]=3 37 B13R2.57 c1ccc2c(c1)ccc(n2)CN AB12710 [0,0,0,0,0,0|3,0,0]=3 38 B13R2.57 c1ccc2c(c1)cnc(n2)C=O AB60727 [0,0,0,0,0,0|4,0,0]=4 39 B13R2.57 c1ccc2c(c1)cnc(n2)CCl AB68878 [0,0,0,0,0,0|4,0,0]=4 40 B13R2.57 c1ccc2c(c1)cnc(n2)CN AB59130 [0,0,0,0,0,0|4,0,0]=4 41 B13R2.57 c1ccc2c(c1)ncc(n2)C#N CB11633 [0,0,0,0,0,0|4,0,0]=4 42 B13R2.57 c1ccc2c(c1)ncc(n2)C=O CB10349 [0,0,0,0,0,0|4,0,0]=4 43 B13R2.57 c1ccc2cc(ccc2c1)NN AB17521 [0,0,0,0,0,0|2,0,0]=2 44 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [0,0,0,0,0,0|3,0,0]=3 45 B13R2.57 c1ccc2cnc(cc2c1)CN AB23438 [0,0,0,0,0,0|3,0,0]=3 46 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [1,0,0,0,0,0|2,0,0]=3 54 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [1,0,0,0,0,0|1,0,0]=2 55 B12R2.24 c1cc(nc2c1cncc2)Br MB04110 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 c1cc(nc2c1cncc2)Cl MB09141 [1,0,0,0,0,0|3,0,0]=4 57 B12R2.24 c1cc(nc2c1cncc2)N MB01025 [1,0,0,0,0,0|3,0,0]=4 58 B12R2.24 c1cc2c(cc(cn2)Br)nc1 AB64897 [1,0,0,0,0,0|3,0,0]=4 59 B12R2.24 c1cc2c(cc(cn2)N)nc1 AB68450 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [1,0,0,0,0,0|2,0,1]=4 61 B12R2.24 c1cc2c(cc1Br)cncn2 PB12515 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.24 c1cc2c(cc1Br)nccn2 AB07430 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.24 c1cc2c(cc1I)cncn2 MB07778 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.24 c1cc2c(cc1N)cncn2 AB60729 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.24 c1cc2c(cc1N)nccn2 AB06131 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [1,0,0,0,0,0|2,0,0]=3 68 B12R2.24 c1cc2c(ccc(n2)Br)nc1 AB05219 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 PB18055 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [1,0,0,0,0,0|3,0,0]=4 71 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [1,0,0,0,0,0|2,0,0]=3 72 B12R2.24 c1cc2cc(cnc2nc1)Br AB17834 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [1,0,0,0,0,0|2,0,1]=4 74 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [1,0,0,0,0,0|2,0,0]=3 75 B12R2.24 c1cc2ccc(nc2nc1)Br AB05221 [1,0,0,0,0,0|3,0,0]=4 76 B12R2.24 c1cc2ccc(nc2nc1)Cl AB05225 [1,0,0,0,0,0|3,0,0]=4 77 B12R2.24 c1cc2ccc(nc2nc1)N AB08428 [1,0,0,0,0,0|3,0,0]=4 78 B12R2.24 c1cc2cnccc2cc1Br PB29336 [1,0,0,0,0,0|2,0,0]=3 79 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [1,0,0,0,0,0|2,0,0]=3 80 B12R2.24 c1cc2cnccc2cc1F MB09677 [1,0,0,0,0,0|2,0,0]=3 81 B12R2.24 c1cc2cnccc2cc1I MB09307 [1,0,0,0,0,0|2,0,0]=3 82 B12R2.24 c1cc2cnccc2cc1N AB19123 [1,0,0,0,0,0|2,0,0]=3 83 B12R2.24 c1cc2cnccc2cc1O AB19117 [1,0,0,0,0,0|1,0,0]=2 84 B12R2.24 c1cc2cncnc2cc1Br PB23522 [1,0,0,0,0,0|3,0,0]=4 85 B12R2.24 c1cc2cncnc2cc1Cl MB00894 [1,0,0,0,0,0|3,0,0]=4 86 B12R2.24 c1cc2cncnc2cc1N AB60731 [1,0,0,0,0,0|3,0,0]=4 87 B12R2.24 c1cc2cncnc2cc1O AB60737 [1,0,0,0,0,0|2,0,0]=3 88 B12R2.24 c1cc2cnncc2cc1Br PB16069 [1,0,0,0,0,0|3,0,0]=4 89 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [1,0,0,0,0,0|2,0,1]=4 90 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [1,0,0,0,0,0|2,0,0]=3 91 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [1,0,0,0,0,0|2,0,0]=3 92 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [1,0,0,0,0,0|2,0,0]=3 93 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [1,0,0,0,0,0|3,0,0]=4 94 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [1,0,0,0,0,0|3,0,0]=4 95 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [1,0,0,0,0,0|3,0,0]=4 96 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [1,0,0,0,0,0|3,0,0]=4 97 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [1,0,0,0,0,0|2,0,0]=3 98 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [1,0,0,0,0,0|2,0,0]=3 99 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [1,0,0,0,0,0|2,0,0]=3 100 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [1,0,0,0,0,0|1,0,0]=2 101 B14R2.92 c1cc2ccc(c(c2nc1)N)C=O CB11487 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C=O CB10095 [0,1,0,0,0,0|3,0,0]=4 103 B14R2.112 CNCc1cc2ccccc2nc1 AB45811 [0,1,0,0,0,0|2,0,0]=3 104 B14R2.112 CNCc1ccc2c(c1)cccn2 AB28133 [0,1,0,0,0,0|2,0,0]=3 105 B14R2.112 CNCc1ccc2ccccc2n1 AB53825 [0,1,0,0,0,0|2,0,0]=3 106 B14R2.112 c1cc2cc(ccc2nc1)CC=O AB57659 [0,1,0,0,0,0|2,0,1]=4 107 B14R2.112 c1cc2ccc(nc2nc1)CCO AB27169 [0,1,0,0,0,0|3,0,0]=4 108 B14R2.112 c1ccc2c(c1)cc(cn2)CC=O AB57656 [0,1,0,0,0,0|2,0,1]=4 109 B14R2.112 c1ccc2c(c1)cc(cn2)CCN AB45411 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.112 c1ccc2c(c1)cc(cn2)N=C=O AB74233 [0,1,0,0,0,0|2,0,1]=4 111 B14R2.112 c1ccc2c(c1)ccc(n2)CC=O AB06466 [0,1,0,0,0,0|2,0,1]=4 112 B14R2.112 c1ccc2c(c1)ccc(n2)CCN AB45414 [0,1,0,0,0,0|2,0,0]=3 113 B14R2.112 c1ccc2cc(ccc2c1)CC=O AB11816 [0,1,0,0,0,0|1,0,1]=3 114 B14R2.112 c1ccc2cc(ccc2c1)CCN AB09173 [0,1,0,0,0,0|1,0,0]=2 115 B14R2.134 CNc1ccc2ccc(cc2n1)Br MB10582 [0,1,0,0,0,0|2,0,0]=3 116 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 AB00149 [0,1,0,0,0,0|0,0,3]=4 117 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 AB44261 [0,1,0,0,0,0|2,0,1]=4 118 B14R2.134 COc1ccc2c(c1)cc(cn2)Br AB49947 [0,1,0,0,0,0|1,0,0]=2 119 B14R2.134 COc1ccc2c(c1)cc(cn2)N AB42120 [0,1,0,0,0,0|1,0,0]=2 120 B14R2.134 COc1ccc2ccc(=O)[nH]c2c1 MB07766 [0,1,0,0,0,0|1,0,0]=2 121 B14R2.134 COc1ccc2ccc(cc2n1)Br MB10600 [0,1,0,0,0,0|1,0,0]=2 122 B14R2.134 Cc1ccc2ccc(cc2n1)OC AB52428 [0,1,0,0,0,0|1,0,0]=2 123 B14R2.134 c1cc(cc2c1ccc(c2)O)C#N MB06812 [0,1,0,0,0,0|2,0,0]=3 124 B14R2.134 c1cc(cc2c1ccc(n2)CCl)Br AB60114 [0,1,0,0,0,0|3,0,0]=4 125 B14R2.134 c1cc(cc2c1ccc(n2)CN)Br AB69959 [0,1,0,0,0,0|3,0,0]=4 126 B14R2.134 c1cc2c(cc1Br)cc(cn2)C=O AB70021 [0,1,0,0,0,0|3,0,0]=4 127 B14R2.134 c1cc2c(cc1Br)cc(cn2)CCl AB70022 [0,1,0,0,0,0|3,0,0]=4 128 B14R2.134 c1cc2c(cc1Br)cc(cn2)CN AB70020 [0,1,0,0,0,0|3,0,0]=4 129 B14R2.134 c1cc2c(cc1F)cc(cn2)C=O AB70025 [0,1,0,0,0,0|3,0,0]=4 130 B14R2.134 c1cc2c(cc1F)cc(cn2)CN AB70028 [0,1,0,0,0,0|3,0,0]=4 131 B14R2.142 CCc1ccc2c(c1)c(ccn2)Cl AB52108 [0,1,0,0,0,0|2,0,0]=3 132 B14R2.142 CCc1ccc2c(c1)c(ccn2)N AB52071 [0,1,0,0,0,0|2,0,0]=3 133 B14R2.142 CCc1ccc2c(c1)c(ccn2)O AB11881 [0,1,0,0,0,0|2,0,0]=3 134 B14R2.142 COc1cc2c(cc[nH]c2=O)cn1 AB84997 [0,1,0,0,0,0|2,0,0]=3 135 B14R2.142 COc1cc2c(cc[nH]c2=O)nc1 PB38355 [0,1,0,0,0,0|2,0,0]=3 136 B14R2.142 COc1cc2c(ccnc2Cl)nc1 PB37760 [0,1,0,0,0,0|2,0,0]=3 137 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 AB00146 [0,1,0,0,0,0|0,0,3]=4 138 B14R2.142 COc1ccc2c(c1)C(=O)CCN2 AB06716 [0,1,0,0,0,0|1,0,2]=4 139 B14R2.142 COc1ccc2c(c1)C(=O)NCC2 AB19125 [0,1,0,0,0,0|1,0,2]=4 140 B14R2.142 COc1ccc2c(c1)c(=O)[nH]cn2 MB03481 [0,1,0,0,0,0|2,0,0]=3 141 B14R2.142 COc1ccc2c(c1)c(ccn2)Br AB45030 [0,1,0,0,0,0|1,0,0]=2 142 B14R2.142 COc1ccc2c(c1)c(ccn2)Cl AB01409 [0,1,0,0,0,0|1,0,0]=2 143 B14R2.142 COc1ccc2c(c1)c(ccn2)N AB06274 [0,1,0,0,0,0|1,0,0]=2 144 B14R2.142 COc1ccc2c(c1)c(ccn2)O AB01174 [0,1,0,0,0,0|1,0,0]=2 145 B14R2.142 COc1ccc2c(c1)c(ncn2)Cl PB32431 [0,1,0,0,0,0|2,0,0]=3 146 B14R2.142 COc1ccc2c(c1)c(ncn2)N AB27827 [0,1,0,0,0,0|2,0,0]=3 147 B14R2.142 COc1ccc2c(n1)c(ccn2)Cl PB20315 [0,1,0,0,0,0|2,0,0]=3 148 B14R2.142 COc1ccc2cc[nH]c(=O)c2c1 AB62719 [0,1,0,0,0,0|1,0,0]=2 149 B14R2.142 COc1ccc2cc[nH]c(=O)c2n1 AB85019 [0,1,0,0,0,0|2,0,0]=3 150 B14R2.142 COc1ccc2cccc(c2c1)Cl AB44054 [0,1,0,0,0,0|0,0,0]=1 151 B14R2.142 COc1ccc2cccc(c2c1)N AB44293 [0,1,0,0,0,0|0,0,0]=1 152 B14R2.142 COc1ccc2cccc(c2n1)Br MB10603 [0,1,0,0,0,0|1,0,0]=2 153 B14R2.142 COc1ccc2ccnc(c2c1)Br AB70051 [0,1,0,0,0,0|1,0,0]=2 154 B14R2.142 COc1ccc2ccnc(c2c1)Cl AB69421 [0,1,0,0,0,0|1,0,0]=2 155 B14R2.142 COc1ccc2ccnc(c2c1)N AB69424 [0,1,0,0,0,0|1,0,0]=2 156 B14R2.142 COc1ccc2cnnc(c2c1)Cl AB69656 [0,1,0,0,0,0|2,0,0]=3 157 B14R2.142 c1cc(cc2c1ccnc2Cl)C=O AB53309 [0,1,0,0,0,0|3,0,0]=4 158 B14R2.142 c1cc(cc2c1ccnc2Cl)CBr AB53340 [0,1,0,0,0,0|3,0,0]=4 159 B14R2.142 c1cc2c(cc1C#N)c(ccn2)O CB11067 [0,1,0,0,0,0|3,0,0]=4 160 B14R2.142 c1cc2c(cc1CBr)c(ccn2)Cl AB63940 [0,1,0,0,0,0|3,0,0]=4 161 B14R2.142 c1cc2ccc(nc2c(c1)Br)CBr AB65964 [0,1,0,0,0,0|3,0,0]=4 162 B14R2.781 B(c1cc2ccccc2nc1)(O)O AB26441 [0,1,0,0,0,0|3,0,0]=4 163 B14R2.781 B(c1cc2ccccc2nc1)(O)O PB21802 [0,1,0,0,0,0|3,0,0]=4 164 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O AB13210 [0,1,0,0,0,0|3,0,0]=4 165 B14R2.781 B(c1ccc2ccccc2c1)(O)O AB05352 [0,1,0,0,0,0|2,0,0]=3 166 B14R2.781 B(c1ccc2ccccc2n1)(O)O AB13731 [0,1,0,0,0,0|3,0,0]=4 167 B14R2.781 B(c1ccc2cccnc2c1)(O)O AB63153 [0,1,0,0,0,0|3,0,0]=4 168 B14R2.781 B(c1ccc2ccncc2c1)(O)O PB15965 [0,1,0,0,0,0|3,0,0]=4 169 B14R2.781 B(c1ccc2cnccc2c1)(O)O PB22420 [0,1,0,0,0,0|3,0,0]=4 170 B14R2.781 CC(=O)c1cc2ccccc2cn1 AB25777 [0,1,0,0,0,0|2,0,0]=3 171 B14R2.781 c1cc(cc2c1ccnc2)C(=O)O MB08772 [0,1,0,0,0,0|3,0,0]=4 172 B14R2.781 c1cc2ccc(cc2nc1)C(=O)O MB00424 [0,1,0,0,0,0|3,0,0]=4 173 B14R2.781 c1cc2cnccc2cc1C(=O)O PB31447 [0,1,0,0,0,0|3,0,0]=4 174 B14R2.781 c1ccc2c(c1)cc(cn2)C(=N)N AB60891 [0,1,0,0,0,0|3,0,0]=4 175 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O AB00802 [0,1,0,0,0,0|3,0,0]=4 176 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O AB02856 [0,1,0,0,0,0|3,0,0]=4 177 B14R2.1019 COc1cc2cccnc2c(c1)N CB10417 [0,1,0,0,0,0|1,0,0]=2 178 B14R2.1019 CSc1nc2ccccc2c(n1)Cl AB42159 [0,1,0,0,0,0|2,1,0]=4 179 B14R2.1128 CCc1cc2ccccc2nc1N AB05805 [0,1,0,0,0,0|2,0,0]=3 180 B14R2.1128 COc1c(nc2ccccc2n1)Cl AB31541 [0,1,0,0,0,0|2,0,0]=3 181 B14R2.1128 c1ccc2c(c1)cc(c(n2)Br)C=O AB59869 [0,1,0,0,0,0|3,0,0]=4 182 B14R2.1128 c1ccc2c(c1)cc(c(n2)Br)CN AB60208 [0,1,0,0,0,0|3,0,0]=4 183 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [0,1,0,0,0,0|3,0,0]=4 184 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C#N AB45106 [0,1,0,0,0,0|3,0,0]=4 185 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CCl AB22936 [0,1,0,0,0,0|3,0,0]=4 186 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [0,1,0,0,0,0|3,0,0]=4 187 B14R2.1801 COc1cc2c(c(ccn2)Cl)nc1 PB16432 [0,1,0,0,0,0|2,0,0]=3 188 B14R2.1801 COc1cc2c(cn1)C(=O)CC=N2 PB17833 [0,1,0,0,0,0|2,0,1]=4 189 B14R2.1801 COc1cc2c(cn1)c(ccn2)Cl PB31606 [0,1,0,0,0,0|2,0,0]=3 190 B14R2.1801 COc1cc2cc[nH]c(=O)c2cn1 AB76341 [0,1,0,0,0,0|2,0,0]=3 191 B14R2.1801 COc1ccc2c(c1)CCCC2=O MB00111 [0,1,0,0,0,0|0,0,3]=4 192 B14R2.1801 COc1ccc2c(c1)CCNC2=O AB19128 [0,1,0,0,0,0|1,0,2]=4 193 B14R2.1801 COc1ccc2c(c1)NCCC2=O AB07156 [0,1,0,0,0,0|1,0,2]=4 194 B14R2.1801 COc1ccc2c(c1)cccc2Br MB03398 [0,1,0,0,0,0|0,0,0]=1 195 B14R2.1801 COc1ccc2c(c1)ccnc2Br AB70054 [0,1,0,0,0,0|1,0,0]=2 196 B14R2.1801 COc1ccc2c(c1)ccnc2Cl AB27579 [0,1,0,0,0,0|1,0,0]=2 197 B14R2.1801 COc1ccc2c(c1)ccnc2N AB69419 [0,1,0,0,0,0|1,0,0]=2 198 B14R2.1801 COc1ccc2c(c1)ccnc2O AB64610 [0,1,0,0,0,0|1,0,0]=2 199 B14R2.1801 COc1ccc2c(c1)cnnc2Cl AB50536 [0,1,0,0,0,0|2,0,0]=3 200 B14R2.1801 COc1ccc2c(c1)ncnc2Cl AB27825 [0,1,0,0,0,0|2,0,0]=3 201 B14R2.1801 COc1ccc2c(c1)ncnc2N AB27824 [0,1,0,0,0,0|2,0,0]=3 202 B14R2.1801 COc1ccc2c(ccnc2c1)Cl PB12379 [0,1,0,0,0,0|1,0,0]=2 203 B14R2.1801 COc1ccc2c(ccnc2c1)N AB43461 [0,1,0,0,0,0|1,0,0]=2 204 B14R2.1801 COc1ccc2c(ccnc2c1)O AB04264 [0,1,0,0,0,0|1,0,0]=2 205 B14R2.1801 COc1ccc2c(n1)cc[nH]c2=O AB85008 [0,1,0,0,0,0|2,0,0]=3 206 B14R2.1801 COc1ccc2c(n1)cccc2Br MB10596 [0,1,0,0,0,0|1,0,0]=2 207 B14R2.1801 COc1ccc2c(n1)ccnc2Cl AB73804 [0,1,0,0,0,0|2,0,0]=3 208 B14R2.1801 COc1ccc2c(n1)ccnc2O AB73806 [0,1,0,0,0,0|2,0,0]=3 209 B14R2.1801 c1cc2c(cc[nH]c2=O)cc1C=O AB65219 [0,1,0,0,0,0|3,0,0]=4 210 B14R2.1801 c1cc2c(ccnc2Cl)cc1C#N AB73872 [0,1,0,0,0,0|3,0,0]=4 211 B14R2.1801 c1cc2c(ccnc2Cl)cc1C=O AB70668 [0,1,0,0,0,0|3,0,0]=4 212 B14R2.1801 c1cc2c(ccnc2cc1C#N)Cl CB11064 [0,1,0,0,0,0|3,0,0]=4 213 B14R2.1801 c1cc2c(ccnc2cc1C#N)O CB11061 [0,1,0,0,0,0|3,0,0]=4 214 B14R2.2332 CCc1ccc2c(c1)ccc(n2)C AB45128 [0,1,0,0,0,0|2,0,0]=3 215 B14R2.2332 CNc1cnc2cc(ccc2n1)Br MB10614 [0,1,0,0,0,0|3,0,0]=4 216 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 AB00148 [0,1,0,0,0,0|0,0,3]=4 217 B14R2.2332 COc1ccc2c(c1)CCC(=O)N2 MB02321 [0,1,0,0,0,0|1,0,2]=4 218 B14R2.2332 COc1ccc2c(c1)OCC(=O)C2 AB56632 [0,1,0,0,0,0|1,0,2]=4 219 B14R2.2332 COc1ccc2c(c1)OCC(=O)N2 AB23658 [0,1,0,0,0,0|2,0,1]=4 220 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl AB07225 [0,1,0,0,0,0|1,0,0]=2 221 B14R2.2332 COc1ccc2c(c1)cnc(n2)N AB60763 [0,1,0,0,0,0|2,0,0]=3 222 B14R2.2332 COc1ccc2c(c1)nnc(n2)N MB09369 [0,1,0,0,0,0|3,0,0]=4 223 B14R2.2332 COc1ccc2cc(ccc2c1)Br AB00334 [0,1,0,0,0,0|0,0,0]=1 224 B14R2.2332 COc1ccc2cc(ccc2n1)Br MB10111 [0,1,0,0,0,0|1,0,0]=2 225 B14R2.2332 COc1ccc2cc(cnc2c1)Br MB10604 [0,1,0,0,0,0|1,0,0]=2 226 B14R2.2332 Cc1ccc2cc(cnc2c1)C=O AB57089 [0,1,0,0,0,0|3,0,0]=4 227 B14R2.2332 c1cc(cc2c1cc(cn2)C=O)Br AB70012 [0,1,0,0,0,0|3,0,0]=4 228 B14R2.2332 c1cc(cc2c1cc(cn2)C=O)O AB57090 [0,1,0,0,0,0|3,0,0]=4 229 B14R2.2332 c1cc(cc2c1cc(cn2)CCl)Br AB70015 [0,1,0,0,0,0|3,0,0]=4 230 B14R2.2332 c1cc(cc2c1cc(cn2)CN)Br AB70017 [0,1,0,0,0,0|3,0,0]=4 231 B14R2.2332 c1cc(nc2c1cc(cc2)Br)C#N AB43399 [0,1,0,0,0,0|3,0,0]=4 232 B14R2.2332 c1cc(nc2c1cc(cc2)Br)CCl AB69960 [0,1,0,0,0,0|3,0,0]=4 233 B14R2.2332 c1cc(nc2c1cc(cc2)Br)CN AB62985 [0,1,0,0,0,0|3,0,0]=4 234 B14R2.2332 c1cc(nc2c1cc(cc2)Br)CO AB69964 [0,1,0,0,0,0|3,0,0]=4 235 B14R2.2332 c1cc(nc2c1cc(cc2)Cl)CCl AB60110 [0,1,0,0,0,0|3,0,0]=4 236 B14R2.2332 c1cc(nc2c1cc(cc2)F)CCl AB60115 [0,1,0,0,0,0|3,0,0]=4 237 B14R2.2332 c1cc2c(ccc(=O)[nH]2)cc1C#N MB06791 [0,1,0,0,0,0|3,0,0]=4 238 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C#N MB06874 [0,1,0,0,0,0|3,0,0]=4 239 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C=O AB43967 [0,1,0,0,0,0|3,0,0]=4 240 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1CBr AB63912 [0,1,0,0,0,0|3,0,0]=4 241 B14R2.2332 c1cc2cc(ccc2cc1CO)N AB50496 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [0,0,1,0,0,0|1,0,2]=4 243 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,0,1,0,0,0|2,0,1]=4 244 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,0,1,0,0,0|2,0,1]=4 245 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,0,1,0,0,0|2,0,1]=4 246 B12R1.382 COc1cccc(c1)CCC=O AB42268 [0,0,1,0,0,0|1,0,2]=4 247 B12R2.1 COC1=NN=C2=C1C=CC=C2 PB34799 [0,0,0,0,1,0|2,0,1]=4 248 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [0,0,0,0,1,0|3,0,0]=4 249 B12R2.1 c1ccn2c(c1)ccc2C=O AB60669 [0,0,0,0,1,0|3,0,0]=4 250 B12R2.32 CNc1nc2ccccc2s1 AB01569 [0,0,0,0,1,0|3,0,0]=4 251 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [0,0,0,0,1,0|3,0,0]=4 252 B12R2.32 c1ccc2c(c1)cc(s2)CN AB13993 [0,0,0,0,1,0|3,0,0]=4 253 B12R2.32 c1ccn2cc(cc2c1)C=O AB60664 [0,0,0,0,1,0|3,0,0]=4 254 B12R2.44 COC1=CC2C=CN=C2C=C1 AB00488 [0,0,0,0,1,0|1,0,1]=3 255 B12R2.44 COC1=CC2C=NN=C2C=C1 PB32539 [0,0,0,0,1,0|2,0,1]=4 256 B12R2.44 COC1=CN=C2C=CN=C2C1 PB19328 [0,0,0,0,1,0|2,0,1]=4 257 B12R2.44 COC1=NC2C=CN=C2C=C1 PB34310 [0,0,0,0,1,0|2,0,1]=4 258 B12R2.44 COC1=NC=C2C=CN=C2C1 PB31322 [0,0,0,0,1,0|2,0,1]=4 259 B12R2.44 COc1ccc2c(c1)CNC2 AB30381 [0,0,0,0,1,0|1,0,2]=4 260 B12R2.44 COc1ccc2c(c1)N=CC2 AB01327 [0,0,0,0,1,0|1,0,1]=3 261 B12R2.44 COc1ccc2c(c1)N=NC2 PB23628 [0,0,0,0,1,0|2,0,1]=4 262 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [0,0,0,0,1,0|1,0,2]=4 263 B12R2.44 COc1ccc2c(c1)scn2 AB10586 [0,0,0,0,1,0|2,0,0]=3 264 B12R2.44 COc1ccc2c(n1)N=CC2 PB18740 [0,0,0,0,1,0|2,0,1]=4 265 B12R2.44 COc1ncc2c(n1)ccs2 PB18321 [0,0,0,0,1,0|3,0,0]=4 266 B12R2.44 c1cc(cc2c1cco2)C#N MB09726 [0,0,0,0,1,0|3,0,0]=4 267 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [0,0,0,0,1,0|3,0,0]=4 268 B12R2.44 c1cc2c(cco2)cc1C#N MB03560 [0,0,0,0,1,0|3,0,0]=4 269 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,0,0,0,1,0|3,0,0]=4 270 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [0,0,0,0,1,0|3,0,0]=4 271 B12R2.44 c1cc2c(ccs2)cc1C#N MB03564 [0,0,0,0,1,0|3,0,0]=4 272 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [0,0,0,0,1,0|3,0,0]=4 273 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [1,0,1,0,0,0|2,0,0]=4 274 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,1,0,0,0|1,0,0]=3 275 B11R1.83 COc1ccc(cc1)CC=O AB11810 [1,0,1,0,0,0|1,0,1]=4 276 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [1,0,1,0,0,0|1,0,0]=3 277 B11R1.37 c1cc(c(cc1O)C=O)C=O MB33390 [1,0,1,0,0,0|2,0,0]=4 278 B11R1.279 COc1ccc(c(c1)N)C=O AB54699 [1,0,1,0,0,0|2,0,0]=4 279 B11R1.280 COc1ccc(c(c1)C=O)N AB58425 [1,0,1,0,0,0|2,0,0]=4 280 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,0,1,0,0,0|1,0,1]=4 281 B11R1.189 COc1cccc(c1)CC=O AB11807 [1,0,1,0,0,0|1,0,1]=4 282 B11R1.189 COc1cccc(c1)\C=C\Br AB06116 [1,0,1,0,0,0|1,0,0]=3 283 B11R2.20 c1cc2c(cccn2)nc1 AB01787 [2,0,0,0,0,0|2,0,0]=4 284 B11R2.20 c1cc2cccnc2nc1 AB02373 [2,0,0,0,0,0|2,0,0]=4 285 B11R2.20 c1cc2cnccc2nc1 AB02371 [2,0,0,0,0,0|2,0,0]=4 286 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Br AB04162 [0,1,1,0,0,0|1,0,0]=3 287 B13R1.3 B(\C=C\c1ccc(cc1)OC)(O)O AB17446 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.95 COc1ccc(c(c1)F)C(=O)C=O AB49791 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.696 Cc1ccccc1C(=O)C(=O)OC CB10469 [0,1,1,0,0,0|1,0,1]=4 290 B13R1.643 B(\C=C\c1cccc(c1)OC)(O)O AB22312 [0,1,1,0,0,0|2,0,0]=4 291 B13R2.32 Cc1cnc2ccccc2c1Cl AB50477 [1,1,0,0,0,0|1,0,0]=3 292 B13R2.32 Cc1cnc2ccccc2c1O AB50475 [1,1,0,0,0,0|1,0,0]=3 293 B13R2.32 c1cc2ccc(c(c2nc1)F)F MB01680 [1,1,0,0,0,0|2,0,0]=4 294 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [1,1,0,0,0,0|1,0,0]=3 295 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [1,1,0,0,0,0|0,0,0]=2 296 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [1,1,0,0,0,0|1,0,0]=3 297 B13R2.32 c1ccc2c(c1)cnc(c2Br)N MB00823 [1,1,0,0,0,0|2,0,0]=4 298 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [1,1,0,0,0,0|2,0,0]=4 299 B13R2.155 Cc1cc2cc(ccc2nc1)Br AB49939 [1,1,0,0,0,0|1,0,0]=3 300 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [1,1,0,0,0,0|1,0,1]=4 301 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [1,1,0,0,0,0|1,0,0]=3 302 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [1,1,0,0,0,0|1,0,0]=3 303 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [1,1,0,0,0,0|1,0,0]=3 304 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [1,1,0,0,0,0|1,0,1]=4 305 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [1,1,0,0,0,0|1,0,1]=4 306 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [1,1,0,0,0,0|1,0,0]=3 307 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br AB27609 [1,1,0,0,0,0|2,0,0]=4 308 B13R2.155 c1cc(cc2c1ccc(n2)N)Br MB05231 [1,1,0,0,0,0|2,0,0]=4 309 B13R2.155 c1cc(cc2c1ccc(n2)N)Cl MB10580 [1,1,0,0,0,0|2,0,0]=4 310 B13R2.155 c1cc(nc2c1ccc(n2)F)O AB45677 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.155 c1cc2c(cc1Br)cc(cn2)N AB49949 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [1,1,0,0,0,0|1,0,0]=3 313 B13R2.155 c1cc2cnc(cc2cc1Br)N MB09260 [1,1,0,0,0,0|2,0,0]=4 314 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl AB12588 [1,1,0,0,0,0|1,0,0]=3 315 B13R2.162 Cc1ccc2c(c1)c(ccn2)N AB29077 [1,1,0,0,0,0|1,0,0]=3 316 B13R2.162 Cc1ccc2c(c1)c(ccn2)O AB05625 [1,1,0,0,0,0|1,0,0]=3 317 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl AB15706 [1,1,0,0,0,0|2,0,0]=4 318 B13R2.162 Cc1ccc2cc[nH]c(=O)c2c1 AB54694 [1,1,0,0,0,0|1,0,0]=3 319 B13R2.162 Cc1ccc2cc[nH]c(=O)c2n1 AB76636 [1,1,0,0,0,0|2,0,0]=4 320 B13R2.162 Cc1ccc2cccc(c2n1)Br AB20867 [1,1,0,0,0,0|1,0,0]=3 321 B13R2.162 Cc1ccc2ccnc(c2c1)Cl AB54695 [1,1,0,0,0,0|1,0,0]=3 322 B13R2.162 Cc1cccc2c1nc(cc2)C AB01019 [1,1,0,0,0,0|1,0,0]=3 323 B13R2.162 Cc1ccnc2c1cc(cc2)Br AB49783 [1,1,0,0,0,0|2,0,0]=4 324 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Br AB10173 [1,1,0,0,0,0|2,0,0]=4 325 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Cl AB42150 [1,1,0,0,0,0|2,0,0]=4 326 B13R2.162 c1cc(cc2c1ccnc2Br)Cl AB70047 [1,1,0,0,0,0|2,0,0]=4 327 B13R2.162 c1cc(cc2c1ccnc2Cl)Br AB17337 [1,1,0,0,0,0|2,0,0]=4 328 B13R2.162 c1cc(cc2c1ccnc2Cl)Cl AB64632 [1,1,0,0,0,0|2,0,0]=4 329 B13R2.162 c1cc(cc2c1ccnc2N)Br AB39362 [1,1,0,0,0,0|2,0,0]=4 330 B13R2.162 c1cc(cc2c1ccnc2N)Cl AB64630 [1,1,0,0,0,0|2,0,0]=4 331 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl PB19880 [1,1,0,0,0,0|2,0,0]=4 332 B13R2.162 c1cc2c(cc1Br)c(ccn2)N AB14051 [1,1,0,0,0,0|2,0,0]=4 333 B13R2.162 c1cc2c(cc1Br)c(ccn2)O PB14171 [1,1,0,0,0,0|2,0,0]=4 334 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl AB04150 [1,1,0,0,0,0|2,0,0]=4 335 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N AB42116 [1,1,0,0,0,0|2,0,0]=4 336 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O AB01413 [1,1,0,0,0,0|2,0,0]=4 337 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl AB05918 [1,1,0,0,0,0|2,0,0]=4 338 B13R2.162 c1cc2c(cc1F)c(ccn2)N AB22403 [1,1,0,0,0,0|2,0,0]=4 339 B13R2.162 c1cc2c(cc1F)c(ccn2)O AB05527 [1,1,0,0,0,0|2,0,0]=4 340 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 AB07313 [1,1,0,0,0,0|2,0,0]=4 341 B13R2.162 c1cc2c(cc1O)c(ncn2)Cl MB06082 [1,1,0,0,0,0|2,0,0]=4 342 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [1,1,0,0,0,0|1,0,1]=4 343 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [1,1,0,0,0,0|1,0,1]=4 344 B13R2.162 c1cc2ccc(nc2c(c1)Br)Cl AB48778 [1,1,0,0,0,0|2,0,0]=4 345 B13R2.162 c1cc2ccc(nc2c(c1)Br)N MB05228 [1,1,0,0,0,0|2,0,0]=4 346 B13R2.162 c1cc2ccc(nc2c(c1)Cl)N AB44300 [1,1,0,0,0,0|2,0,0]=4 347 B13R2.162 c1cc2ccc(nc2c(c1)O)N AB04263 [1,1,0,0,0,0|2,0,0]=4 348 B13R2.328 CC1=NC(=O)C2=C(=C1)C=CC=C2 MB02879 [1,1,0,0,0,0|1,0,1]=4 349 B13R2.328 Cc1cc(c2ccccc2n1)N AB00806 [1,1,0,0,0,0|1,0,0]=3 350 B13R2.328 Cc1cc(nc2c1cccc2)N AB21178 [1,1,0,0,0,0|2,0,0]=4 351 B13R2.328 Cc1cc(nc2c1cccc2)N AB42119 [1,1,0,0,0,0|2,0,0]=4 352 B13R2.328 Cc1nc2ccccc2c(n1)N AB05254 [1,1,0,0,0,0|2,0,0]=4 353 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [1,1,0,0,0,0|1,0,1]=4 354 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N MB06581 [1,1,0,0,0,0|2,0,0]=4 355 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Br AB62586 [1,1,0,0,0,0|2,0,0]=4 356 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl AB01396 [1,1,0,0,0,0|2,0,0]=4 357 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N MB06583 [1,1,0,0,0,0|2,0,0]=4 358 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br MB01043 [1,1,0,0,0,0|2,0,0]=4 359 B13R2.328 c1ccc2c(c1)cc(nc2Br)N CB10230 [1,1,0,0,0,0|2,0,0]=4 360 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl PB17073 [1,1,0,0,0,0|2,0,0]=4 361 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [1,1,0,0,0,0|2,0,0]=4 362 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [1,1,0,0,0,0|1,0,0]=3 363 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [1,1,0,0,0,0|2,0,0]=4 364 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [1,1,0,0,0,0|2,0,0]=4 365 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [1,1,0,0,0,0|1,0,0]=3 366 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [1,1,0,0,0,0|1,0,0]=3 367 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [1,1,0,0,0,0|1,0,1]=4 368 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [1,1,0,0,0,0|1,0,0]=3 369 B13R2.3683 Cc1ccc2c(c1)ccc(n2)N AB43746 [1,1,0,0,0,0|1,0,0]=3 370 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N AB17885 [1,1,0,0,0,0|2,0,0]=4 371 B13R2.3683 Cc1ccc2cc(ccc2n1)Br AB03064 [1,1,0,0,0,0|1,0,0]=3 372 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [1,1,0,0,0,0|2,0,0]=4 373 B13R2.3683 c1cc(cc2c1cc(cn2)Cl)Br CB11977 [1,1,0,0,0,0|2,0,0]=4 374 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [1,1,0,0,0,0|2,0,0]=4 375 B13R2.3683 c1cc(cc2c1cc(nc2)Br)Cl AB72948 [1,1,0,0,0,0|2,0,0]=4 376 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br PB19116 [1,1,0,0,0,0|2,0,0]=4 377 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br PB25313 [1,1,0,0,0,0|2,0,0]=4 378 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl PB12313 [1,1,0,0,0,0|2,0,0]=4 379 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [1,1,0,0,0,0|1,0,0]=3 380 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [1,1,0,0,0,0|2,0,0]=4 381 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [1,1,0,0,0,0|2,0,0]=4 382 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [1,1,0,0,0,0|1,0,0]=3 383 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [1,1,0,0,0,0|2,0,0]=4 384 B13R2.3683 c1cc(nc2c1cc(cc2)F)N AB31775 [1,1,0,0,0,0|2,0,0]=4 385 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl AB19838 [1,1,0,0,0,0|2,0,0]=4 386 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [1,1,0,0,0,0|1,0,1]=4 387 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [1,1,0,0,0,0|2,0,0]=4 388 B13R2.5179 Cc1cc2cc[nH]c(=O)c2cn1 AB64229 [1,1,0,0,0,0|2,0,0]=4 389 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [1,1,0,0,0,0|1,0,0]=3 390 B13R2.5179 Cc1ccc2c(c1)ccnc2N AB63570 [1,1,0,0,0,0|1,0,0]=3 391 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [1,1,0,0,0,0|1,0,0]=3 392 B13R2.5179 Cc1ccc2c(c1)nc[nH]c2=O MB08805 [1,1,0,0,0,0|2,0,0]=4 393 B13R2.5179 Cc1ccc2c(c1)ncnc2Cl AB59114 [1,1,0,0,0,0|2,0,0]=4 394 B13R2.5179 Cc1ccc2c(ccnc2c1)Cl AB51456 [1,1,0,0,0,0|1,0,0]=3 395 B13R2.5179 Cc1ccc2c(n1)cc[nH]c2=O AB85004 [1,1,0,0,0,0|2,0,0]=4 396 B13R2.5179 Cc1ccc2c(n1)cccc2Br AB68514 [1,1,0,0,0,0|1,0,0]=3 397 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Br AB39354 [1,1,0,0,0,0|2,0,0]=4 398 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl AB42154 [1,1,0,0,0,0|2,0,0]=4 399 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1F AB55620 [1,1,0,0,0,0|2,0,0]=4 400 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1N PB11021 [1,1,0,0,0,0|2,0,0]=4 401 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [1,1,0,0,0,0|1,0,1]=4 402 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [1,1,0,0,0,0|1,0,1]=4 403 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Br AB45170 [1,1,0,0,0,0|2,0,0]=4 404 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br MB09289 [1,1,0,0,0,0|2,0,0]=4 405 B13R2.5179 c1cc2c(ccnc2Br)cc1Cl AB70045 [1,1,0,0,0,0|2,0,0]=4 406 B13R2.5179 c1cc2c(ccnc2Br)cc1F AB70062 [1,1,0,0,0,0|2,0,0]=4 407 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br AB27582 [1,1,0,0,0,0|2,0,0]=4 408 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [1,1,0,0,0,0|2,0,0]=4 409 B13R2.5179 c1cc2c(ccnc2Cl)cc1F AB55623 [1,1,0,0,0,0|2,0,0]=4 410 B13R2.5179 c1cc2c(ccnc2N)cc1Br AB39358 [1,1,0,0,0,0|2,0,0]=4 411 B13R2.5179 c1cc2c(ccnc2N)cc1Cl AB39360 [1,1,0,0,0,0|2,0,0]=4 412 B13R2.5179 c1cc2c(ccnc2N)cc1F AB69427 [1,1,0,0,0,0|2,0,0]=4 413 B13R2.5179 c1cc2c(ccnc2O)cc1Cl AB64993 [1,1,0,0,0,0|2,0,0]=4 414 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl AB12594 [1,1,0,0,0,0|2,0,0]=4 415 B13R2.5179 c1cc2c(ccnc2cc1Br)N AB25141 [1,1,0,0,0,0|2,0,0]=4 416 B13R2.5179 c1cc2c(ccnc2cc1Br)O AB25905 [1,1,0,0,0,0|2,0,0]=4 417 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br AB42126 [1,1,0,0,0,0|2,0,0]=4 418 B13R2.5179 c1cc2c(ccnc2cc1Cl)N AB07356 [1,1,0,0,0,0|2,0,0]=4 419 B13R2.5179 c1cc2c(ccnc2cc1F)Cl AB04073 [1,1,0,0,0,0|2,0,0]=4 420 B13R2.5179 c1cc2c(ccnc2cc1F)N AB43465 [1,1,0,0,0,0|2,0,0]=4 421 B13R2.5179 c1cc2c(ccnc2cc1F)O AB05529 [1,1,0,0,0,0|2,0,0]=4 422 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I MB07196 [1,1,0,0,0,0|2,0,0]=4 423 B13R2.1 c1ccc2c(c1)ccn2CCN AB15612 [0,1,0,0,1,0|2,0,0]=4 424 B13R2.662 COc1c2ccc(cc2on1)Cl MB09688 [0,1,0,0,1,0|2,0,0]=4 425 B13R2.84 COc1ccc2ccoc2c1Br MB06986 [0,1,0,0,1,0|1,0,0]=3 426 B13R2.654 COC1=CC(=C2C=CN=C2C1)Br AB13576 [0,1,0,0,1,0|1,0,1]=4 427 B13R2.654 COc1cc(c2c(n1)ccs2)Cl AB65849 [0,1,0,0,1,0|2,0,0]=4 428 B13R2.654 COc1cc2ccoc2c(c1)Br MB07007 [0,1,0,0,1,0|1,0,0]=3 429 B13R2.654 COc1cc2ccoc2c(c1)Cl MB10423 [0,1,0,0,1,0|1,0,0]=3 430 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [0,1,0,0,1,0|1,0,1]=4 431 B13R2.669 COc1ccc2c(c1)C(=O)N=N2 AB60845 [0,1,0,0,1,0|2,0,0]=4 432 B13R2.669 COc1ccc2c(c1)C(=O)OC2 MB00644 [0,1,0,0,1,0|1,0,1]=4 433 B13R2.669 COc1ccc2c(c1)c(no2)Cl AB72257 [0,1,0,0,1,0|2,0,0]=4 434 B13R2.2121 COC1=CC2C=C(N=C2C=C1)I MB12358 [0,1,0,0,1,0|1,0,1]=4 435 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [0,1,0,0,1,0|1,0,1]=4 436 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [0,1,0,0,1,0|1,0,1]=4 437 B13R2.2121 COc1ccc2c(c1)nc(o2)Cl AB63673 [0,1,0,0,1,0|2,0,0]=4 438 B13R2.2121 COc1ccc2c(c1)oc(n2)Cl AB73086 [0,1,0,0,1,0|2,0,0]=4 439 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl AB06750 [0,1,0,0,1,0|2,0,0]=4 440 B13R2.2130 COc1ccc2c(c1)CNC2=O AB45189 [0,1,0,0,1,0|1,0,1]=4 441 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,1,0,0,1,0|1,0,1]=4 442 B13R2.2130 COc1ccc2c(c1)onc2Cl AB72260 [0,1,0,0,1,0|2,0,0]=4 443 B13R2.2130 COc1ccn2c(c1)ncc2Br AB61193 [0,1,0,0,1,0|2,0,0]=4 444 B15R2.627 Cc1c2ccccc2ncc1C(=O)C AB63872 [0,2,0,0,0,0|2,0,0]=4 445 B15R2.627 c1ccc2c(c1)ccc(c2N)C(=O)O MB09442 [0,2,0,0,0,0|2,0,0]=4 446 B15R2.888 CCCc1cc2ccccc2nc1N AB05818 [0,2,0,0,0,0|2,0,0]=4 447 B15R2.888 c1ccc2c(c1)cc(c(n2)Cl)CCCl AB12818 [0,2,0,0,0,0|2,0,0]=4 448 B15R2.1290 CCOc1ccc2c(c1)c(ccn2)Cl AB52105 [0,2,0,0,0,0|1,0,0]=3 449 B15R2.1290 CCOc1ccc2c(c1)c(ccn2)N AB52066 [0,2,0,0,0,0|1,0,0]=3 450 B15R2.1290 CCOc1ccc2c(c1)c(ccn2)O AB11877 [0,2,0,0,0,0|1,0,0]=3 451 B15R2.1601 COC(=N)c1cc2ccccc2nc1 AB60996 [0,2,0,0,0,0|1,0,0]=3 452 B15R2.1601 COC(=O)C1=Cc2ccccc2OC1 AB04722 [0,2,0,0,0,0|1,0,1]=4 453 B15R2.1601 COC(=O)c1ccc2c(c1)cncn2 PB17151 [0,2,0,0,0,0|2,0,0]=4 454 B15R2.1601 COC(=O)c1ccc2ccncc2c1 MB09806 [0,2,0,0,0,0|1,0,0]=3 455 B15R2.1601 COC(=O)c1ccc2cnccc2c1 MB09804 [0,2,0,0,0,0|1,0,0]=3 456 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)C=O AB44422 [0,2,0,0,0,0|1,0,1]=4 457 B15R2.1824 CCc1cc2cc(ccc2nc1N)Br AB51720 [0,2,0,0,0,0|2,0,0]=4 458 B15R2.1824 CCc1cc2cc(ccc2nc1N)C AB51674 [0,2,0,0,0,0|2,0,0]=4 459 B15R2.1824 CCc1cc2cc(ccc2nc1N)Cl AB51731 [0,2,0,0,0,0|2,0,0]=4 460 B15R2.1824 CCc1cc2cc(ccc2nc1N)F AB51669 [0,2,0,0,0,0|2,0,0]=4 461 B15R2.1824 COc1cc2c(cc1Br)cnc(n2)Cl PB30207 [0,2,0,0,0,0|2,0,0]=4 462 B15R2.4776 COc1ccc2c(c1)C=C(CO2)C#N AB04726 [0,2,0,0,0,0|1,0,1]=4 463 B15R2.4776 COc1ccc2c(c1)C=C(CO2)C=O AB09679 [0,2,0,0,0,0|1,0,1]=4 464 B15R2.4776 COc1ccc2c(c1)cc(cn2)C=O AB49943 [0,2,0,0,0,0|1,0,0]=3 465 B15R2.4776 COc1ccc2ccc(cc2c1)OC AB00338 [0,2,0,0,0,0|0,0,0]=2 466 B15R2.21336 CCc1ccc2c(c1)cc(c(n2)Cl)C AB42063 [0,2,0,0,0,0|2,0,0]=4 467 B15R2.21336 CCc1ccc2c(c1)cc(c(n2)N)C AB05781 [0,2,0,0,0,0|2,0,0]=4 468 B15R2.21336 CCc1ccc2cc(c(nc2c1)Cl)C AB51961 [0,2,0,0,0,0|2,0,0]=4 469 B15R2.21336 Cc1cc2cc(ccc2nc1Cl)OC AB11436 [0,2,0,0,0,0|1,0,0]=3 470 B15R2.21336 Cc1cc2cc(ccc2nc1N)OC AB05798 [0,2,0,0,0,0|1,0,0]=3 471 B15R2.21336 Cc1cc2ccc(cc2nc1Cl)OC AB51977 [0,2,0,0,0,0|1,0,0]=3 472 B15R2.21336 Cc1cc2ccc(cc2nc1N)OC AB05802 [0,2,0,0,0,0|1,0,0]=3 473 B15R2.89396 COc1ccc2c(c1)nc(nc2Cl)Cl PB22376 [0,2,0,0,0,0|2,0,0]=4 474 B15R2.89396 Cc1cc(c2ccc(cc2n1)OC)Cl AB52110 [0,2,0,0,0,0|1,0,0]=3 475 B15R2.89396 Cc1cc(c2ccc(cc2n1)OC)N AB52081 [0,2,0,0,0,0|1,0,0]=3 476 B15R2.2393 COc1cc2c(cc1F)nc[nH]c2=O PB11844 [0,2,0,0,0,0|2,0,0]=4 477 B15R2.2393 COc1cc2c(cc1F)ncnc2Cl PB32570 [0,2,0,0,0,0|2,0,0]=4 478 B15R2.2393 COc1cc2c(cc1I)N=CCC2=O PB18366 [0,2,0,0,0,0|1,0,1]=4 479 B15R2.2393 COc1cc2c(cc1O)nc[nH]c2=O PB10563 [0,2,0,0,0,0|2,0,0]=4 480 B15R2.2393 COc1cc2c(cc1O)ncnc2Cl PB12842 [0,2,0,0,0,0|2,0,0]=4 481 B15R2.4846 CCc1ccc2c(c1)c(ccn2)NN AB52144 [0,2,0,0,0,0|2,0,0]=4 482 B15R2.4846 COc1ccc2c(c1)c(ccn2)C=O AB30483 [0,2,0,0,0,0|1,0,0]=3 483 B15R2.4846 COc1ccc2c(c1)c(ccn2)NN AB52148 [0,2,0,0,0,0|1,0,0]=3 484 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)C)Cl AB42055 [0,2,0,0,0,0|2,0,0]=4 485 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)C)N AB52067 [0,2,0,0,0,0|2,0,0]=4 486 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)C)O AB05736 [0,2,0,0,0,0|2,0,0]=4 487 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)Cl)C AB55925 [0,2,0,0,0,0|2,0,0]=4 488 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)O)C AB55924 [0,2,0,0,0,0|2,0,0]=4 489 B15R2.21329 COc1ccc2c(c1)c(cc(n2)Cl)Cl AB13973 [0,2,0,0,0,0|1,0,0]=3 490 B15R2.21329 COc1ccc2c(c1)c(nc(n2)Cl)Cl PB14779 [0,2,0,0,0,0|2,0,0]=4 491 B15R2.21329 COc1ccc2c(c1)c(nc(n2)Cl)N AB60751 [0,2,0,0,0,0|2,0,0]=4 492 B15R2.21329 COc1ccc2c(c1)c(nc(n2)O)O AB55914 [0,2,0,0,0,0|2,0,0]=4 493 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)Br AB42137 [0,2,0,0,0,0|1,0,0]=3 494 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)Cl AB03352 [0,2,0,0,0,0|1,0,0]=3 495 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)N AB06449 [0,2,0,0,0,0|1,0,0]=3 496 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)O AB05594 [0,2,0,0,0,0|1,0,0]=3 497 B15R2.21329 Cc1cc(nc2c1cc(cc2)OC)Cl AB03211 [0,2,0,0,0,0|1,0,0]=3 498 B15R2.21329 Cc1cc(nc2c1cc(cc2)OC)O AB07037 [0,2,0,0,0,0|1,0,0]=3 499 B15R2.21329 Cc1nc2ccc(cc2c(n1)O)OC AB48748 [0,2,0,0,0,0|2,0,0]=4 500 B15R2.4441 CC(C)(c1ccc2ccccc2c1)N AB48737 [0,2,0,0,0,0|1,0,0]=3 501 B15R2.4441 [B-](c1ccc2ccccc2c1)(F)(F)F AB26674 [0,2,0,0,0,0|2,0,0]=4 502 B15R2.7180 B(c1ccc2cc(ccc2c1)O)(O)O AB03326 [0,2,0,0,0,0|2,0,0]=4 503 B15R2.13598 c1cc2cc(ccc2c(c1)Br)C(=O)O AB43882 [0,2,0,0,0,0|2,0,0]=4 504 B15R2.2713 CCc1cc(c2cc(ccc2n1)Br)Cl AB49958 [0,2,0,0,0,0|2,0,0]=4 505 B15R2.1754 CCc1cc2ccc(cc2nc1N)Br AB05814 [0,2,0,0,0,0|2,0,0]=4 506 B15R2.1754 CCc1cc2ccc(cc2nc1N)C AB05807 [0,2,0,0,0,0|2,0,0]=4 507 B15R2.1754 CCc1cc2ccc(cc2nc1N)Cl AB05811 [0,2,0,0,0,0|2,0,0]=4 508 B15R2.1754 CCc1cc2ccc(cc2nc1N)F AB51678 [0,2,0,0,0,0|2,0,0]=4 509 B15R2.2039 CCc1cc2cccc(c2nc1N)C AB51680 [0,2,0,0,0,0|2,0,0]=4 510 B15R2.2039 COc1cc2c(cc1O)c(=O)[nH]cn2 PB34249 [0,2,0,0,0,0|2,0,0]=4 511 B15R2.2039 COc1cc2c(cc1O)c(ncn2)Cl PB31660 [0,2,0,0,0,0|2,0,0]=4 512 B15R2.2039 Cc1cc2c(cc[nH]c2=O)cc1OC AB63901 [0,2,0,0,0,0|1,0,0]=3 513 B15R2.2039 Cc1cc2c(ccnc2Cl)cc1OC AB63903 [0,2,0,0,0,0|1,0,0]=3 514 B15R2.2310 COc1ccc2c(ccnc2c1)NN AB52152 [0,2,0,0,0,0|1,0,0]=3 515 B15R2.4780 COc1ccc2c(c1)OCC(=C2)C#N AB18675 [0,2,0,0,0,0|1,0,1]=4 516 B15R2.4780 COc1ccc2c(c1)OCC(=C2)C=O AB09683 [0,2,0,0,0,0|1,0,1]=4 517 B15R2.4780 COc1ccc2c(c1)ccc(n2)CBr AB72396 [0,2,0,0,0,0|1,0,0]=3 518 B15R2.4780 COc1ccc2c(c1)ccc(n2)CCl AB60109 [0,2,0,0,0,0|1,0,0]=3 519 B15R2.4780 COc1ccc2c(c1)ccc(n2)CN AB16146 [0,2,0,0,0,0|1,0,0]=3 520 B15R2.4780 COc1ccc2cc(cnc2c1)C=O AB49036 [0,2,0,0,0,0|1,0,0]=3 521 B13R2.10 c1ccc(cc1)c2cc(on2)Br AB51245 [0,0,1,1,0,0|2,0,0]=4 522 B13R2.18 c1ccc(c(c1)c2ccon2)O AB19315 [0,0,1,1,0,0|2,0,0]=4 523 B13R2.611 COc1ccc(c2c1cco2)Br MB06982 [0,0,1,1,0,0|2,0,0]=4 524 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,0,1,0,1,0|2,0,0]=4 525 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,0,1,0,1,0|2,0,0]=4 526 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,0,1,0,1,0|2,0,0]=4 527 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,0,1,0,1,0|1,0,1]=4 528 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [1,0,0,0,1,0|1,0,1]=4 529 B11R2.1 Cn1c2ccccc2cn1 PB18505 [1,0,0,0,1,0|2,0,0]=4 530 B11R2.1 Cn1ccc2c1nccc2 AB51139 [1,0,0,0,1,0|2,0,0]=4 531 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [1,0,0,0,1,0|2,0,0]=4 532 B11R2.10 Cc1cn2ccccc2n1 MB02386 [1,0,0,0,1,0|2,0,0]=4 533 B11R2.10 Cn1cc2ccccc2n1 PB15684 [1,0,0,0,1,0|2,0,0]=4 534 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [1,0,0,0,1,0|2,0,0]=4 535 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [1,0,0,0,1,0|1,0,1]=4 536 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [1,0,0,0,1,0|1,0,1]=4 537 B11R2.36 CC1=CC2C=CN=C2C=C1 PB24528 [1,0,0,0,1,0|1,0,1]=4 538 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [1,0,0,0,1,0|1,0,1]=4 539 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [1,0,0,0,1,0|1,0,0]=3 540 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [1,0,0,0,1,0|2,0,0]=4 541 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [1,0,0,0,1,0|2,0,0]=4 542 B11R2.36 c1cc(cc2c1cco2)N MB09331 [1,0,0,0,1,0|2,0,0]=4 543 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,0,1,0|1,0,0]=3 544 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [1,0,0,0,1,0|2,0,0]=4 545 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [1,0,0,0,1,0|2,0,0]=4 546 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [1,0,0,0,1,0|2,0,0]=4 547 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [1,0,0,0,1,0|2,0,0]=4 548 B11R2.36 c1cc2c(cco2)cc1F AB43937 [1,0,0,0,1,0|2,0,0]=4 549 B11R2.36 c1cc2c(cco2)cc1N AB20798 [1,0,0,0,1,0|2,0,0]=4 550 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,0,0,0,1,0|1,0,0]=3 551 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [1,0,0,0,1,0|2,0,0]=4 552 B11R2.36 c1cc2nccn2cc1O AB28902 [1,0,0,0,1,0|2,0,0]=4 553 B11R2.36 c1cnn2c1cc(cc2)O AB44250 [1,0,0,0,1,0|2,0,0]=4