0 B11R1.166 CC(C)n1ccc(cc1=O)I DA-39313 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.166 CN(C)c1ccc(cc1Br)N DA-24034 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.166 CS(=O)c1ccc(cc1N)Cl DA-37598 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.166 Cc1ccc(c(c1)Br)[N+](=O)[O-] DA-26836 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.166 Cc1ccc(c(n1)C)C(=O)C DA-31522 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 c1cc(c(cc1Cl)O)[N+](=O)[O-] DA-37554 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 CC(C)c1ccc(nc1)Cl DA-26459 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.13 CC(c1ccc(cc1)Br)Cl DA-29650 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.13 CC(c1ccc(cn1)Cl)O DA-30838 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.13 CC(c1ccc(cn1)F)O DA-48370 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.13 CC(c1ccc(nc1)Br)N DA-30789 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.13 CC(c1ccc(nc1)Br)O DA-30788 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.13 CS(=O)c1ccc(cc1)N DA-22158 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.13 Cc1ccc(cc1)S(=O)C DA-31695 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.25 CCc1c(cc(cn1)Br)N DA-37839 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.25 CCc1ccc(cc1Br)N DA-24023 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.25 CCc1ccc(cc1Br)O DA-24022 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.25 CCc1ccc(cc1Cl)Br DA-46219 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.25 CCc1ccc(cc1Cl)O DA-23800 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.25 CCc1ccc(cc1I)Cl DA-39750 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.25 CCc1ccc(cc1N)Br DA-37838 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.25 CCc1ccc(cc1N)Cl DA-37567 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.25 CNc1ccc(cc1Cl)O DA-23819 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.25 Cc1cc(c(cn1)CCl)N DA-38439 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.25 Cc1cc(ccc1CBr)Cl DA-30686 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.25 Cc1cc(ccc1CCl)Br DA-21358 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.25 Cc1cc(ccc1NC)O DA-23363 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.25 Cc1cc(ncc1CN)C DA-31980 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.25 c1cc(c(cc1Cl)O)CN DA-27914 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.25 c1cc(c(cc1I)Cl)CBr DA-45833 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.25 c1cc(c(cc1O)F)CO DA-40007 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.61 CC(c1ccccc1N)N DA-28843 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.61 CN(C)c1ccc[nH]c1=O DA-24921 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.61 CN(C)c1ccccc1N DA-48516 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.61 CN(C)c1cccnc1Cl DA-26379 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.61 CS(=O)c1ccccc1N DA-27649 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.57 CC(=O)c1ccc(cc1OC)Br DA-31739 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.57 CC(C)c1ccc(nc1OC)N DA-37237 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.126 CC(C)(C)c1ccc(cc1Cl)N DA-38964 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.126 CC(C)(C)c1ccc(cc1N)N DA-29050 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.126 Cc1ccc(c(c1)Br)C(C)(C)O DA-28680 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.452 CC(=O)c1ccc(cc1Br)OC DA-31490 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.452 CCc1ccc(c(c1)O)[N+](=O)[O-] DA-37389 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.452 c1cc(c(cc1CCl)O)[N+](=O)[O-] DA-38438 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.452 c1cc(c(cc1CO)O)C(=O)O DA-26134 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.893 CC(=O)c1ccc(c(c1O)O)I DA-31545 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.1703 CCC(c1ccc(cc1C)C)N DA-31531 [0,1,0,0,0,0|2,0,0]=3 47 B12R2.612 Cc1ccc2c(c1)ccn2C DA-30178 [0,0,0,1,0,0|2,0,1]=4 48 B12R2.1317 c1c(cnc(c1Cl)C2CC2)O DA-37476 [0,0,0,1,0,0|3,0,0]=4 49 B12R1.233 CC(C)Oc1c(cc(cn1)O)Cl DA-37470 [0,0,0,0,0,1|3,0,0]=4 50 B12R1.233 CC(C)Oc1ccc(cc1Br)I DA-26840 [0,0,0,0,0,1|2,0,0]=3 51 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br DA-39950 [0,0,0,0,0,1|2,0,0]=3 52 B12R1.233 CC(C)Oc1ccc(cc1Cl)N DA-48509 [0,0,0,0,0,1|2,0,0]=3 53 B12R1.233 CN(C)Cc1ccc(cc1Cl)N DA-40909 [0,0,0,0,0,1|3,0,0]=4 54 B12R1.233 Cc1cc(ccc1OC(C)C)I DA-39314 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.1 c1cc(ccc1CCl)O DA-22267 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 CCc1c(cccn1)Br DA-24056 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.15 CSc1ccccc1[Zn+] DA-35007 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.15 Cc1ccccc1CI DA-30617 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 c1ccc(c(c1)CI)Cl DA-29576 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.69 Cc1cc(c(cn1)C)Br DA-39962 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.69 Cc1cc(c(nc1)I)O DA-26090 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.69 Cc1ccc(nc1Br)C DA-42573 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.69 c1cc(c(cc1N)O)Br DA-38045 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.3 CC(=O)c1ccc(cc1)CCl DA-29902 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.3 CC(=O)c1ccc(cc1)CO DA-31115 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.3 CC(C)c1ccc(nc1)NN DA-30826 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.3 CS(=O)c1ccc(cc1)CCl DA-30669 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.19 CC(C)(c1ccc(cc1)N)O DA-28994 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.19 CC(C)(c1ccc(cn1)Br)N DA-28020 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.19 C[Si](C)(C)c1ccc(cc1)N DA-22098 [1,1,0,0,0,0|1,1,0]=4 71 B11R1.21 CC(C)c1cc(c(nc1)N)Br DA-23961 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.21 CC(C)c1ccc(c(c1)Cl)N DA-26564 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.21 CC(C)c1ccc(c(c1)Cl)O DA-26563 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.21 CC(C)c1ccc(c(c1)I)O DA-26093 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.21 Cc1cc(ccc1Cl)C(C)N DA-31027 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.21 Cc1cc(ccc1O)C(C)C DA-39274 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.21 Cc1cc(cnc1N)C(C)C DA-37241 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.21 Cc1ccc(cc1C)C(C)Br DA-23026 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.22 CCC(C)c1ccc(nc1)N DA-37012 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.22 CCC(c1ccc(nc1)C)N DA-30756 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.37 COc1ccc(cc1CO)Cl DA-37563 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.37 Cc1cc(c(cn1)CO)CO DA-36001 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.37 Cc1ccc(c(c1)CBr)CBr DA-30338 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.37 Cc1ccc(c(c1)CO)CO DA-39174 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.37 c1cc(c(cc1Cl)CO)CO DA-39761 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.81 CCNc1ccc(cc1N)C DA-47718 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.81 CCOc1ccc(cc1N)C DA-26279 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.81 CCOc1ccc(cc1N)Cl DA-37570 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.81 CCSc1ccc(cc1Cl)Br DA-46233 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.81 Cc1ccc(c(c1)C)CNC DA-41403 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.81 c1cc(c(cc1Br)F)CCO DA-43384 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.277 COc1cc(c(cc1O)Cl)Cl DA-21981 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.277 Cc1cc(c(cc1Br)C=O)O DA-37832 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.277 Cc1cc(c(cc1Br)O)OC DA-37823 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.277 Cc1cc(c(cc1Br)OC)O DA-39926 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.277 Cc1cc(c(cc1C)Cl)OC DA-29570 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.277 Cc1cc(c(cc1N)CO)I DA-40860 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.277 Cc1cc(c(cc1N)OC)Br DA-39847 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.278 Cc1ccc(c(c1N)C)CO DA-40843 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.278 Cc1ccc(c(c1O)O)C=O DA-27357 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.279 CCc1c(cc(cn1)CO)Cl DA-37473 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.279 CCc1ccc(cc1Br)OC DA-26913 [1,1,0,0,0,0|1,0,0]=3 103 B11R1.279 CCc1ccc(cc1F)OC DA-29425 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.279 CCc1ccc(cc1N)C#N DA-24288 [1,1,0,0,0,0|1,0,1]=4 105 B11R1.279 CCc1ccc(cc1N)CO DA-24289 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.279 COc1ccc(cc1Br)CN DA-24010 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.279 CSc1ccc(cc1O)C=O DA-23560 [1,1,0,0,0,0|1,0,1]=4 108 B11R1.279 Cc1cc(ccc1NC)OC DA-39186 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.464 Cc1cc(c(c(c1)Cl)OC)Cl DA-27134 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.464 Cc1cc(c(c(c1)O)CN)C DA-27926 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.53 CC(C)c1ccccc1CO DA-32102 [1,1,0,0,0,0|0,0,0]=2 112 B11R1.53 CC(C)c1ccncc1C#N DA-39267 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.156 CC(c1c(cccc1Br)Cl)O DA-31468 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.156 Cc1cccc(c1C(C)O)Br DA-31467 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.156 Cc1cccc(c1N(C)C)Br DA-26735 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.159 CC(=O)c1cccc(c1O)Br DA-31743 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.159 CC(c1cccc(c1O)F)O DA-41458 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.167 CC(C)c1cc(ccc1Br)O DA-43572 [1,1,0,0,0,0|1,0,0]=3 119 B11R1.167 CC(C)c1cc(ccc1Cl)N DA-39639 [1,1,0,0,0,0|1,0,0]=3 120 B11R1.167 CC(C)c1cc(ccc1N)Br DA-39929 [1,1,0,0,0,0|1,0,0]=3 121 B11R1.167 CC(c1cc(ccc1Br)F)O DA-31471 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.167 CC(c1cc(ccc1Cl)Br)O DA-41450 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.222 c1ccc(c(c1)C(CN)O)Cl DA-43120 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.49 Cc1cc(n(n1)C(C)C)CO DA-48403 [0,1,0,0,1,0|2,0,0]=4 125 B13R1.51 CC(C)Oc1ccc(cc1C#N)I DA-37284 [0,1,0,0,0,1|2,0,0]=4 126 B13R1.51 Cc1ccc(c(n1)CO)OC(C)C DA-32024 [0,1,0,0,0,1|1,0,0]=3 127 B13R1.653 CC(C)Oc1ccc(cc1Cl)CBr DA-22308 [0,1,0,0,0,1|1,0,0]=3 128 B13R1.53 CC(C)(C)c1ccc(cc1OC)O DA-38963 [0,2,0,0,0,0|1,0,0]=3 129 B13R1.2398 Cc1cc(c(cc1Cl)C(=O)C)OC DA-42908 [0,2,0,0,0,0|1,0,1]=4 130 B13R1.877 CC(C)(C)c1cc(c(cc1Cl)I)O DA-37001 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.877 Cc1cc(c(cc1Cl)C(C)(C)O)Br DA-28676 [0,2,0,0,0,0|1,0,0]=3 132 B13R1.1807 Cc1cc(c(cc1Cl)C(=O)OC)O DA-32334 [0,2,0,0,0,0|1,0,1]=4 133 B13R1.2811 Cc1c(cc(c(c1I)O)C(=O)C)Cl DA-42878 [0,2,0,0,0,0|1,0,1]=4 134 B13R1.95 COC(=O)c1ccc(cc1O)CBr DA-32558 [0,2,0,0,0,0|1,0,1]=4 135 B13R1.95 COC(=O)c1ccc(cc1O)CO DA-32960 [0,2,0,0,0,0|1,0,1]=4 136 B13R1.120 CN(C)c1ccc(cc1O)[N+](=O)[O-] DA-27719 [0,2,0,0,0,0|2,0,0]=4 137 B13R1.961 CCC(c1ccc(cc1C)Br)NC DA-31077 [0,2,0,0,0,0|2,0,0]=4 138 B13R1.1511 CCCC(c1ccc(cc1Br)C)O DA-31487 [0,2,0,0,0,0|2,0,0]=4 139 B13R1.1511 CCOC(=O)c1ccc(cc1O)C DA-41981 [0,2,0,0,0,0|1,0,1]=4 140 B11R2.34 Cc1ccc(cn1)C2CO2 DA-25862 [1,0,0,1,0,0|2,0,0]=4 141 B11R2.1 CC1COc2c1cccc2 DA-27551 [1,0,0,1,0,0|0,0,0]=2 142 B11R2.55 c1cc(c(nc1)C2CC2)Br DA-24061 [1,0,0,1,0,0|2,0,0]=4 143 B13R2.5400 Cc1cc(ccc1SC2CC2)Br DA-46232 [0,0,0,1,0,1|2,0,0]=4 144 B13R2.5400 c1cc(c(cc1Br)Cl)OC2CC2 DA-39953 [0,0,0,1,0,1|2,0,0]=4 145 B13R2.5400 c1cc(c(cc1Br)Cl)SC2CC2 DA-46230 [0,0,0,1,0,1|2,0,0]=4 146 B13R2.2082 COc1c(ccc(n1)Br)C2CC2 DA-46214 [0,1,0,1,0,0|2,0,0]=4 147 B13R2.2082 COc1cc(ccc1C2CC2)Cl DA-39755 [0,1,0,1,0,0|1,0,0]=3 148 B13R2.5179 c1cc2c(cc1F)OCCC2Cl DA-39560 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.5179 c1cc2c(cc1F)OCCC2O DA-35650 [0,1,0,1,0,0|2,0,0]=4 150 B13R2.3125 c1cc(c(cc1Br)Cl)C2(CC2)N DA-31086 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.11634 Cc1cc2c(cc1Br)N(CC2)C DA-36539 [0,1,0,1,0,0|2,0,0]=4 152 B13R2.11634 Cc1cc2c(cc1N)c(no2)C DA-24582 [0,1,0,1,0,0|1,0,1]=4 153 B13R2.5180 c1cc(c(c2c1C(CO2)N)Cl)Cl DA-36712 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.35 Cc1cnc(s1)C(C)C DA-26053 [1,0,0,0,1,0|2,0,0]=4 155 B11R1.20 CC(C)Nc1ccc(cn1)N DA-42217 [1,0,0,0,0,1|2,0,0]=4 156 B11R1.20 CC(C)Nc1ccc(nc1)N DA-48351 [1,0,0,0,0,1|2,0,0]=4 157 B11R1.20 CC(C)Oc1ccc(cn1)O DA-36101 [1,0,0,0,0,1|2,0,0]=4 158 B11R1.20 CC(C)Oc1ccc(nc1)Br DA-26780 [1,0,0,0,0,1|2,0,0]=4 159 B11R1.20 CC(C)Oc1ccc(nc1)Cl DA-26460 [1,0,0,0,0,1|2,0,0]=4 160 B11R1.20 CC(C)Oc1ccc(nc1)N DA-37253 [1,0,0,0,0,1|2,0,0]=4 161 B11R1.86 CC(=C)Cc1ccccc1O DA-28587 [1,0,0,0,0,1|0,0,2]=4 162 B11R1.86 CC(C)Cc1ccccc1N DA-26081 [1,0,0,0,0,1|1,0,0]=3 163 B11R1.86 CC(C)Cn1ccccc1=O DA-29292 [1,0,0,0,0,1|1,0,1]=4 164 B11R1.86 CC(C)Oc1c(cccn1)Cl DA-23849 [1,0,0,0,0,1|2,0,0]=4 165 B11R1.86 CC(C)Oc1cccnc1Cl DA-47862 [1,0,0,0,0,1|2,0,0]=4 166 B11R1.86 CC(C)Oc1cccnc1N DA-23493 [1,0,0,0,0,1|2,0,0]=4 167 B11R1.74 CC(C)c1cc(cc(c1)O)O DA-24616 [0,0,0,0,1,1|1,0,0]=3 168 B11R1.74 Cc1cc(nc(n1)C(C)C)N DA-26052 [0,0,0,0,1,1|2,0,0]=4 169 B11R1.74 Cc1cc(nc(n1)N(C)C)O DA-26293 [0,0,0,0,1,1|2,0,0]=4 170 B13R1.164 CC(C)COc1ccc(cc1Br)Br DA-27331 [0,0,0,0,0,2|2,0,0]=4 171 B13R1.164 CC(C)COc1ccc(cc1O)Cl DA-37612 [0,0,0,0,0,2|1,0,0]=3 172 B13R1.164 Cc1cc(ccc1NCC(C)C)O DA-23361 [0,0,0,0,0,2|2,0,0]=4