0 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.1 C#Cc1ccc(cn1)Br AB13647 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.1 C#Cc1ccc(cn1)Cl AB68972 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.1 C#Cc1ccc(nc1)Br AB68991 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.1 C#Cc1ccc(nc1)Cl AB61374 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.1 C#Cc1ccc(nc1)F AB66584 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.1 C#Cc1ccc(nc1)N AB66565 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.1 C#Cc1ccc(nc1)O AB69001 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.1 C=Cc1cnc(nc1)N MB09950 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.1 CCc1ccc(cn1)N AB63590 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.1 CCc1ccc(cn1)O MB03842 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.1 CNc1ccc(cn1)Br AB44353 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.1 CNc1ccc(cn1)Cl AB07756 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.1 CNc1ccc(cn1)O AB69733 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.1 CNc1ccc(nc1)Br MB01005 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.1 CNc1ccc(nc1)Cl AB60605 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.1 COc1ccc(cn1)Br AB08771 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.1 COc1ccc(cn1)Cl AB23682 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.1 COc1ccc(cn1)F AB13611 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.1 COc1ccc(cn1)N PB27370 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.1 COc1ccc(cn1)O CB10969 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.1 COc1ccc(nc1)Br PB22062 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.1 COc1ccc(nc1)Cl AB25956 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.1 COc1ccc(nc1)F AB66773 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.1 COc1ccc(nc1)I AB11726 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.1 COc1ccc(nc1)N PB14487 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.1 COc1ncc(cn1)O AB58606 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.1 CSc1ccc(cn1)Br AB14151 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.1 CSc1ccc(cn1)O MB25590 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.1 CSc1ccc(nc1)Br MB03440 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.1 CSc1ncc(cn1)O AB04983 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.1 Cc1ccc(cn1)C#N PB30561 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.1 Cc1ccc(cn1)C=C PB17233 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.1 Cc1ccc(cn1)CCl AB59938 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.1 Cc1ccc(cn1)CN PB20145 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.1 Cc1ccc(cn1)NN PB15841 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.1 Cc1ccc(cn1)OC AB52739 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,0,0,0,0,0|3,0,1]=4 43 B9R1.1 Cc1ccc(nn1)C=O AB44106 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.1 Cc1cnc(cn1)C=O PB23818 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.1 Cc1cnc(nc1)C=O PB31489 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.1 Cc1ncc(cn1)C=O PB13046 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.1 c1c(cnc(n1)C=O)Br AB59082 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.1 c1c(cnc(n1)C=O)Cl PB22417 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.1 c1c(cnc(n1)C=O)F PB26883 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.1 c1c(cnc(n1)C=O)N AB58984 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.1 c1c(cnc(n1)Cl)C=O PB31481 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.1 c1c(cnc(n1)N)C=O PB12291 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.1 c1c(cnc(n1)O)CN AB58547 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.1 c1c(cnc(n1)O)CO AB63514 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.1 c1c[n+](ccc1ON)[O-] AB31589 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.1 c1cc(ccc1CBr)Br AB00113 [0,0,0,0,0,0|2,0,1]=3 61 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [0,0,0,0,0,0|2,0,1]=3 62 B9R1.1 c1cc(ccc1CI)O MB06957 [0,0,0,0,0,0|1,0,1]=2 63 B9R1.1 c1cc(ccc1CN)O AB11678 [0,0,0,0,0,0|1,0,1]=2 64 B9R1.1 c1cc(ncc1Br)C#N PB21694 [0,0,0,0,0,0|3,0,1]=4 65 B9R1.1 c1cc(ncc1Br)C=O PB30785 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,0,0,0,0,0|3,0,1]=4 67 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,0,0,0,0,0|3,0,1]=4 68 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,0,0,0,0,0|3,0,1]=4 69 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,0,0,0,0,0|3,0,1]=4 70 B9R1.1 c1cc(ncc1C#N)Br AB05142 [0,0,0,0,0,0|3,0,1]=4 71 B9R1.1 c1cc(ncc1C#N)Cl AB03166 [0,0,0,0,0,0|3,0,1]=4 72 B9R1.1 c1cc(ncc1C#N)F PB16124 [0,0,0,0,0,0|3,0,1]=4 73 B9R1.1 c1cc(ncc1C#N)O PB17354 [0,0,0,0,0,0|2,0,1]=3 74 B9R1.1 c1cc(ncc1C=O)Br PB27654 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.1 c1cc(ncc1C=O)F PB23560 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.1 c1cc(ncc1C=O)N PB19003 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.1 c1cc(ncc1CBr)F PB28287 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.1 c1cc(ncc1CCl)Br AB59933 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [0,0,0,0,0,0|3,0,1]=4 81 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [0,0,0,0,0,0|3,0,1]=4 82 B9R1.1 c1cc(ncc1CCl)F PB13291 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.1 c1cc(ncc1CCl)N AB59930 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.1 c1cc(ncc1CN)Br AB27793 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.1 c1cc(ncc1CN)Cl PB17175 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.1 c1cc(ncc1CN)F PB19133 [0,0,0,0,0,0|3,0,1]=4 87 B9R1.1 c1cc(ncc1CO)Br PB14409 [0,0,0,0,0,0|3,0,1]=4 88 B9R1.1 c1cc(ncc1CO)Cl PB17199 [0,0,0,0,0,0|3,0,1]=4 89 B9R1.1 c1cc(ncc1CO)F PB14327 [0,0,0,0,0,0|3,0,1]=4 90 B9R1.1 c1cc(ncc1CO)N PB26211 [0,0,0,0,0,0|3,0,1]=4 91 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,0,0,0,0,0|3,0,1]=4 93 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,0,0,0,0,0|3,0,1]=4 94 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.1 c1cc(ncc1F)C#N AB48767 [0,0,0,0,0,0|3,0,1]=4 96 B9R1.1 c1cc(ncc1F)C=O AB42648 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,0,0,0,0,0|3,0,1]=4 98 B9R1.1 c1cc(ncc1F)CN AB60189 [0,0,0,0,0,0|3,0,1]=4 99 B9R1.1 c1cc(ncc1F)CO PB22210 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.1 c1cc(ncc1I)C#N MB08761 [0,0,0,0,0,0|3,0,1]=4 101 B9R1.1 c1cc(ncc1N)C#N PB14307 [0,0,0,0,0,0|3,0,1]=4 102 B9R1.1 c1cc(ncc1N)C=O AB67740 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.1 c1cc(ncc1N)CN AB23447 [0,0,0,0,0,0|3,0,1]=4 104 B9R1.1 c1cc(ncc1N)CO AB31872 [0,0,0,0,0,0|3,0,1]=4 105 B9R1.1 c1cc(ncc1O)C#N PB12442 [0,0,0,0,0,0|2,0,1]=3 106 B9R1.1 c1cc(ncc1O)C=O AB59867 [0,0,0,0,0,0|2,0,0]=2 107 B9R1.1 c1cc(ncc1O)CN MB14856 [0,0,0,0,0,0|2,0,1]=3 108 B9R1.1 c1cc(nnc1C=O)Cl PB13298 [0,0,0,0,0,0|4,0,0]=4 109 B8R1.2 C#Cc1ccccn1 PB17077 [1,0,0,0,0,0|1,0,2]=4 110 B8R1.2 C#Cc1cccnc1 PB29186 [1,0,0,0,0,0|1,0,2]=4 111 B8R1.2 C#Cc1ccncc1 PB29291 [1,0,0,0,0,0|1,0,2]=4 112 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,0|2,0,1]=4 114 B8R1.2 c1c(cncn1)C=O PB32342 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.2 c1cc(cnc1)CCl AB01984 [1,0,0,0,0,0|2,0,1]=4 117 B8R1.2 c1cc(cnc1)CN AB00752 [1,0,0,0,0,0|2,0,1]=4 118 B8R1.2 c1cc(cnc1)NN AB42924 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 c1cc(cnc1)NN PB18886 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.2 c1cc(nnc1)C=O PB20119 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.2 c1ccnc(c1)CBr MB02148 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.2 c1ccnc(c1)CCl AB22495 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.2 c1ccnc(c1)CN AB00731 [1,0,0,0,0,0|2,0,1]=4 125 B8R1.2 c1cnc(cn1)C=O PB19982 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.2 c1cnc(nc1)C=O PB34235 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 c1cnccc1C=O AB00754 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.2 c1cnccc1CCl AB15539 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.2 c1cnccc1CN AB00767 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.2 c1cnccc1NN PB27392 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.2 c1cnccc1ON AB31585 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.2 c1cncnc1C=O AB16150 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.2 c1cnncc1C=O PB17346 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.3 Cc1ccc(cn1)Br AB06624 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.3 Cc1ccc(cn1)Cl AB17956 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.3 Cc1ccc(cn1)F PB18589 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.3 Cc1ccc(cn1)N PB32227 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.3 Cc1ccc(cn1)O PB30543 [1,0,0,0,0,0|1,0,1]=3 139 B8R1.3 Cc1ccc(nc1)Br PB17145 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.3 Cc1ccc(nc1)Cl AB07104 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.3 Cc1ccc(nc1)F AB01857 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.3 Cc1ccc(nc1)N AB17938 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.3 Cc1ccc(nc1)O AB13138 [1,0,0,0,0,0|1,0,1]=3 144 B8R1.3 Cc1ncc(cn1)O AB54467 [1,0,0,0,0,0|2,0,1]=4 145 B8R1.3 c1c(cnc(n1)Br)O PB31459 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.3 c1c(cnc(n1)Cl)O PB12674 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.3 c1c(cnc(n1)N)O PB32565 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.3 c1c(cnc(n1)O)Br AB05049 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.3 c1c(cnc(n1)O)Cl AB03656 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.3 c1c(ncc(n1)Br)O PB26179 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.3 c1c(ncc(n1)O)O AB44015 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.3 c1c[n+](ccc1F)[O-] PB19565 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.3 c1cc(ncc1Br)Br AB00634 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.3 c1cc(ncc1Br)Cl AB08767 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.3 c1cc(ncc1Br)F PB30707 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.3 c1cc(ncc1Br)N PB30536 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.3 c1cc(ncc1Br)O AB05097 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.3 c1cc(ncc1Br)S AB51097 [1,0,0,0,0,0|2,1,0]=4 160 B8R1.3 c1cc(ncc1Cl)Br AB05069 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [1,0,0,0,0,0|3,0,0]=4 162 B8R1.3 c1cc(ncc1Cl)F AB17577 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.3 c1cc(ncc1Cl)I AB32114 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.3 c1cc(ncc1Cl)N AB00712 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.3 c1cc(ncc1F)Br PB17160 [1,0,0,0,0,0|3,0,0]=4 166 B8R1.3 c1cc(ncc1F)I AB42989 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.3 c1cc(ncc1F)N AB10107 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.3 c1cc(ncc1I)Br PB14333 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.3 c1cc(ncc1I)Cl AB10394 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.3 c1cc(ncc1I)N PB25985 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.3 c1cc(ncc1I)O AB05112 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.3 c1cc(ncc1N)Br PB17224 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.3 c1cc(ncc1N)Cl AB00661 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.3 c1cc(ncc1N)F PB33962 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.3 c1cc(ncc1N)O AB15078 [1,0,0,0,0,0|2,0,0]=3 176 B8R1.3 c1cc(ncc1O)Br PB15771 [1,0,0,0,0,0|2,0,0]=3 177 B8R1.3 c1cc(ncc1O)Cl PB32188 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.3 c1cc(ncc1O)F AB08123 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.3 c1cc(ncc1O)I AB50021 [1,0,0,0,0,0|2,0,0]=3 180 B8R1.3 c1cc(ncc1O)N AB15563 [1,0,0,0,0,0|2,0,0]=3 181 B8R1.3 c1cc(nnc1O)Cl PB29050 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [0,1,0,0,0,0|1,0,2]=4 183 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [0,1,0,0,0,0|1,0,2]=4 184 B10R1.1 C#CCc1ccc(cc1)F AB61384 [0,1,0,0,0,0|1,0,2]=4 185 B10R1.1 C#CCc1ccc(cc1)I AB73225 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.1 Cc1ccc(nc1)\C=N\O AB72002 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.1 c1cc(ccc1CC#N)F AB00175 [0,1,0,0,0,0|1,0,2]=4 190 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,1,0,0,0,0|1,0,1]=3 191 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,1,0,0,0,0|1,0,1]=3 192 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,1,0,0,0,0|1,0,2]=4 195 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,1,0,0,0,0|1,0,2]=4 197 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,1,0,0,0,0|1,0,2]=4 198 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,1,0,0,0,0|1,0,2]=4 199 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,1,0,0,0,0|1,0,2]=4 200 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.1 c1cc(ccc1N=[N+]=[N-])Br AB50568 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [0,1,0,0,0,0|1,0,0]=2 207 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,1,0,0,0,0|1,0,2]=4 209 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.3 CCc1ccc(cc1)NN AB10141 [0,1,0,0,0,0|1,0,2]=4 211 B10R1.3 CNc1ccc(nc1)OC AB60608 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.3 COc1ccc(cc1)C#N AB00162 [0,1,0,0,0,0|1,0,1]=3 213 B10R1.3 COc1ccc(cc1)NN AB11940 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.3 COc1ccc(cn1)C#C PB23831 [0,1,0,0,0,0|1,0,2]=4 215 B10R1.3 COc1ccc(cn1)C#N AB03173 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.3 COc1ccc(cn1)CCl AB59942 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.3 COc1ccc(cn1)CCl AB59945 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.3 COc1ccc(cn1)CN PB34107 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.3 COc1ccc(cn1)CO PB17339 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.3 COc1ccc(cn1)NN AB50207 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.3 COc1ccc(nc1)C#C AB68974 [0,1,0,0,0,0|1,0,2]=4 222 B10R1.3 COc1ccc(nc1)C#N PB32629 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.3 COc1ccc(nc1)C=O PB17495 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.3 COc1ccc(nc1)CCl AB59864 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.3 COc1ccc(nc1)CCl PB31547 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.3 COc1ccc(nc1)CN AB59858 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.3 COc1ccc(nc1)CO PB32580 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.3 COc1ccc(nn1)C=O AB61123 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.3 COc1cnc(cn1)C=O AB60467 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.3 COc1cnc(nc1)C=O AB59742 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.3 COc1ncc(cn1)C=O AB15446 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.3 CSc1ccc(cc1)CCl AB05549 [0,1,0,0,0,0|1,1,1]=4 233 B10R1.3 CSc1ccc(cc1)CO AB00982 [0,1,0,0,0,0|1,0,1]=3 234 B10R1.3 c1cc(ccc1C#N)NN AB06913 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.3 c1cc(ccc1CN)CO AB23442 [0,1,0,0,0,0|1,0,1]=3 236 B10R1.3 c1cc(ncc1C#N)C=O AB67705 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.3 c1cc(ncc1C=O)C#N AB66011 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.3 c1cc(ncc1C=O)CCl AB69673 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.3 c1cc(ncc1CCl)C=O AB59921 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.3 c1cc(ncc1CO)C#N AB49273 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.3 c1cc(ncc1CO)CN AB63417 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.3 c1cc(ncc1CO)CO AB14995 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [0,1,0,0,0,0|2,1,0]=4 251 B10R1.13 B(c1ccc(nc1)O)(O)O AB54706 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,1,0,0,0,0|0,0,0]=1 253 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,1,0,0,0,0|1,0,1]=3 258 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,1,0,0,0,0|1,0,1]=3 263 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [0,1,0,0,0,0|1,0,2]=4 264 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,1,0,0,0,0|1,0,1]=3 265 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,1,0,0,0,0|1,0,1]=3 266 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,1,0,0,0,0|1,0,0]=2 282 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,1,0,0,0,0|1,0,0]=2 287 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.13 c1cc(ncc1C(=N)N)F PB38856 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.13 c1cc(ncc1Cl)C(=N)N PB16514 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.13 c1cc(ncc1F)C(=N)N PB33102 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.13 c1cc(ncc1O)C(F)F AB74785 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.25 CCc1ccc(cc1Br)O MB23966 [0,1,0,0,0,0|0,0,2]=3 308 B10R1.25 CCc1ccc(cc1C)O MB23913 [0,1,0,0,0,0|0,0,2]=3 309 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [0,1,0,0,0,0|0,0,2]=3 310 B10R1.25 CCc1ccc(cc1F)O MB14963 [0,1,0,0,0,0|0,0,2]=3 311 B10R1.25 CCc1ccc(cc1I)O MB23946 [0,1,0,0,0,0|0,0,2]=3 312 B10R1.25 CCc1ccc(cc1N)O MB23949 [0,1,0,0,0,0|0,0,2]=3 313 B10R1.25 CCc1ccc(cc1O)Br MB23992 [0,1,0,0,0,0|1,0,2]=4 314 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [0,1,0,0,0,0|1,0,2]=4 315 B10R1.25 CCc1ccc(cc1O)F MB23841 [0,1,0,0,0,0|1,0,2]=4 316 B10R1.25 CCc1ccc(cc1O)I MB23846 [0,1,0,0,0,0|1,0,2]=4 317 B10R1.25 CCc1ccc(cc1O)N MB23852 [0,1,0,0,0,0|1,0,2]=4 318 B10R1.25 CNc1ccc(cc1F)O MB31256 [0,1,0,0,0,0|1,0,1]=3 319 B10R1.25 CNc1ccc(cc1I)O MB37121 [0,1,0,0,0,0|1,0,1]=3 320 B10R1.25 CNc1ccc(cc1N)O MB30558 [0,1,0,0,0,0|1,0,1]=3 321 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.25 CNc1ccc(cc1O)N MB33015 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.25 COc1c(cc(cn1)O)F AB70291 [0,1,0,0,0,0|2,0,1]=4 325 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.25 COc1ccc(cc1Cl)O MB13556 [0,1,0,0,0,0|1,0,1]=3 327 B10R1.25 COc1ccc(cc1F)Br AB01075 [0,1,0,0,0,0|2,0,1]=4 328 B10R1.25 COc1ccc(cc1I)O MB26647 [0,1,0,0,0,0|1,0,1]=3 329 B10R1.25 COc1ccc(cc1N)O MB34521 [0,1,0,0,0,0|1,0,1]=3 330 B10R1.25 COc1ccc(cc1O)Cl MB09234 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.25 COc1ccc(cc1O)I MB38179 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.25 CSc1ccc(cc1Br)O MB25524 [0,1,0,0,0,0|1,0,1]=3 333 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [0,1,0,0,0,0|1,0,1]=3 334 B10R1.25 CSc1ccc(cc1F)O MB25544 [0,1,0,0,0,0|1,0,1]=3 335 B10R1.25 CSc1ccc(cc1N)O MB34593 [0,1,0,0,0,0|1,0,1]=3 336 B10R1.25 CSc1ccc(cc1O)Br MB35434 [0,1,0,0,0,0|2,0,1]=4 337 B10R1.25 CSc1ccc(cc1O)F MB25440 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.25 CSc1ccc(cc1O)I MB29501 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.25 CSc1ccc(cc1O)N MB36502 [0,1,0,0,0,0|2,0,1]=4 340 B10R1.25 Cc1c(ccc(n1)Br)C=O AB66856 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.25 Cc1c(ccc(n1)Cl)C=O AB32133 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.25 Cc1c(ccc(n1)O)C#N AB55004 [0,1,0,0,0,0|2,0,1]=4 343 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.25 Cc1cc(c(cn1)C=O)Br AB66855 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.25 Cc1cc(c(cn1)C=O)Cl AB66849 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.25 Cc1cc(c(cn1)C=O)F AB75172 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.25 Cc1cc(c(cn1)C=O)N AB83689 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.25 Cc1cc(c(nc1)C=O)Cl AB75087 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.25 Cc1cc(c(nc1)C=O)F AB75163 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.25 Cc1cc(c(nc1)C=O)N AB83746 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.25 Cc1cc(ccc1C#N)Cl MB00421 [0,1,0,0,0,0|2,0,1]=4 355 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [0,1,0,0,0,0|1,0,1]=3 356 B10R1.25 Cc1cc(ccc1NC)O MB05083 [0,1,0,0,0,0|1,0,1]=3 357 B10R1.25 Cc1cc(ccc1OC)O MB07842 [0,1,0,0,0,0|1,0,1]=3 358 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.25 Cc1cc(ncc1C=O)Br AB67814 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.25 Cc1cc(ncc1C=O)C AB74124 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.25 Cc1cc(ncc1C=O)Cl AB32140 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.25 Cc1cc(ncc1C=O)F AB75824 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [0,1,0,0,0,0|2,0,0]=3 368 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [0,1,0,0,0,0|2,0,1]=4 370 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.25 Cc1ccc(c(n1)Br)C=O AB55809 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.25 Cc1ccc(c(n1)Cl)C=O AB32135 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.25 Cc1ccc(c(n1)N)C=O AB27631 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.25 c1c(c(cnc1Br)C=O)Cl AB67260 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.25 c1c(c(cnc1Br)C=O)F AB68032 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.25 c1c(c(cnc1Br)C=O)N AB68108 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.25 c1c(c(cnc1Br)C=O)O AB72645 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.25 c1c(c(cnc1Cl)C=O)Br AB67955 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.25 c1c(c(cnc1Cl)C=O)Cl PB13495 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.25 c1c(c(cnc1Cl)C=O)F AB68027 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.25 c1c(c(cnc1Cl)C=O)N AB52769 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.25 c1c(c(cnc1F)C=O)Cl AB75063 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.25 c1c(c(cnc1N)C=O)Cl AB71947 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.25 c1c(c(cnc1N)C=O)N AB43397 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.25 c1c(c(cnc1N)C=O)O AB84438 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [0,1,0,0,0,0|2,0,0]=3 391 B10R1.25 c1c(cnc(c1Br)C=O)Br AB48580 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.25 c1c(cnc(c1Cl)C=O)F AB70954 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.25 c1c(cnc(c1F)C=O)Br PB11091 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.25 c1c(cnc(c1F)C=O)Cl AB70957 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.25 c1c(cnc(c1N)C=O)Br AB83734 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.25 c1c(cnc(c1N)C=O)Cl AB83735 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.25 c1c(cnc(c1N)C=O)N AB83749 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.25 c1c(cnc(c1O)C=O)Br AB70969 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.25 c1c(cnc(c1O)C=O)N AB84581 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.25 c1cc(c(cc1Br)Br)C#N AB66754 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [0,1,0,0,0,0|2,0,0]=3 403 B10R1.25 c1cc(c(cc1Br)F)C#N AB03862 [0,1,0,0,0,0|2,0,1]=4 404 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [0,1,0,0,0,0|2,0,1]=4 406 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [0,1,0,0,0,0|2,0,1]=4 408 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [0,1,0,0,0,0|2,0,1]=4 410 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [0,1,0,0,0,0|2,0,1]=4 412 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [0,1,0,0,0,0|2,0,1]=4 414 B10R1.25 c1cc(c(cc1F)Br)C#N AB06855 [0,1,0,0,0,0|2,0,1]=4 415 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [0,1,0,0,0,0|2,0,1]=4 417 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [0,1,0,0,0,0|2,0,1]=4 419 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [0,1,0,0,0,0|2,0,1]=4 420 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [0,1,0,0,0,0|2,0,1]=4 421 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [0,1,0,0,0,0|2,0,1]=4 422 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [0,1,0,0,0,0|2,0,1]=4 424 B10R1.25 c1cc(c(cc1N)F)C#N AB32067 [0,1,0,0,0,0|2,0,1]=4 425 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [0,1,0,0,0,0|2,0,1]=4 426 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [0,1,0,0,0,0|2,0,1]=4 427 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [0,1,0,0,0,0|2,0,1]=4 428 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [0,1,0,0,0,0|2,0,1]=4 430 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [0,1,0,0,0,0|1,0,1]=3 431 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [0,1,0,0,0,0|1,0,0]=2 432 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [0,1,0,0,0,0|1,0,1]=3 433 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [0,1,0,0,0,0|1,0,1]=3 434 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [0,1,0,0,0,0|1,0,1]=3 435 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [0,1,0,0,0,0|1,0,1]=3 436 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [0,1,0,0,0,0|1,0,0]=2 437 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [0,1,0,0,0,0|1,0,1]=3 438 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [0,1,0,0,0,0|1,0,0]=2 439 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [0,1,0,0,0,0|1,0,1]=3 440 B10R1.25 c1cc(nc(c1C=O)Br)Br PB20462 [0,1,0,0,0,0|3,0,0]=4 441 B10R1.25 c1cc(nc(c1C=O)Br)Cl AB64562 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.25 c1cc(nc(c1C=O)Cl)Cl PB17413 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.25 c1cc(nc(c1C=O)F)Br AB70853 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.25 c1cc(nc(c1C=O)N)Br AB69709 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.25 c1cc(nc(c1C=O)N)Cl AB69707 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.25 c1cc(nc(c1C=O)N)N AB76145 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.25 c1cc(nc(c1C=O)O)Br AB84532 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.25 c1cc(nc(c1C=O)O)N AB84539 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [0,1,0,0,0,0|0,0,2]=3 451 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [0,1,0,0,0,0|0,0,2]=3 452 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [0,1,0,0,0,0|0,0,2]=3 453 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [0,1,0,0,0,0|0,0,2]=3 454 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [0,1,0,0,0,0|0,0,2]=3 455 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [0,1,0,0,0,0|1,0,2]=4 456 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [0,1,0,0,0,0|1,0,2]=4 457 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [0,1,0,0,0,0|1,0,2]=4 458 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [0,1,0,0,0,0|1,0,2]=4 459 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [0,1,0,0,0,0|1,0,2]=4 460 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [0,1,0,0,0,0|1,0,1]=3 461 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [0,1,0,0,0,0|1,0,1]=3 462 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [0,1,0,0,0,0|1,0,1]=3 463 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [0,1,0,0,0,0|1,0,1]=3 464 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [0,1,0,0,0,0|1,0,1]=3 465 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [0,1,0,0,0,0|2,0,1]=4 466 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [0,1,0,0,0,0|2,0,1]=4 469 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [0,1,0,0,0,0|2,0,1]=4 470 B10R1.176 COc1cc(c(cn1)O)Cl AB70292 [0,1,0,0,0,0|2,0,1]=4 471 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [0,1,0,0,0,0|2,0,1]=4 473 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [0,1,0,0,0,0|1,0,1]=3 475 B10R1.176 COc1ccc(c(c1)F)N AB09440 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.176 COc1ccc(c(c1)I)N AB42374 [0,1,0,0,0,0|2,0,1]=4 477 B10R1.176 COc1ccc(c(c1)I)O MB07821 [0,1,0,0,0,0|1,0,1]=3 478 B10R1.176 COc1ccc(c(c1)N)I AB45640 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.176 COc1ccc(c(c1)N)N AB02069 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.176 COc1ccc(c(c1)N)O AB25358 [0,1,0,0,0,0|1,0,1]=3 481 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.176 COc1ccc(c(c1)O)F MB25573 [0,1,0,0,0,0|2,0,1]=4 483 B10R1.176 COc1ccc(c(c1)O)I MB12203 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.176 COc1ccc(c(n1)Cl)O AB69288 [0,1,0,0,0,0|2,0,1]=4 485 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [0,1,0,0,0,0|1,0,1]=3 486 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [0,1,0,0,0,0|1,0,1]=3 487 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [0,1,0,0,0,0|1,0,1]=3 488 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [0,1,0,0,0,0|1,0,1]=3 489 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [0,1,0,0,0,0|1,0,1]=3 490 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [0,1,0,0,0,0|2,0,1]=4 491 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [0,1,0,0,0,0|2,0,1]=4 493 B10R1.176 Cc1c(cc(cn1)C=O)Cl AB74641 [0,1,0,0,0,0|3,0,0]=4 494 B10R1.176 Cc1c(cc(cn1)C=O)F AB62781 [0,1,0,0,0,0|3,0,0]=4 495 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.176 Cc1cc(ccc1Br)C#N AB01529 [0,1,0,0,0,0|2,0,1]=4 499 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [0,1,0,0,0,0|2,0,0]=3 500 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [0,1,0,0,0,0|2,0,1]=4 501 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [0,1,0,0,0,0|2,0,0]=3 503 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [0,1,0,0,0,0|3,0,0]=4 504 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [0,1,0,0,0,0|1,0,1]=3 505 B10R1.176 Cc1cc(ccc1O)CN MB05062 [0,1,0,0,0,0|1,0,1]=3 506 B10R1.176 Cc1cc(ccc1O)NC MB07546 [0,1,0,0,0,0|1,0,1]=3 507 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [0,1,0,0,0,0|3,0,0]=4 509 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [0,1,0,0,0,0|3,0,0]=4 510 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.176 Cc1cc(ncc1Br)C=O AB41159 [0,1,0,0,0,0|3,0,0]=4 512 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [0,1,0,0,0,0|3,0,0]=4 513 B10R1.176 Cc1cc(ncc1Cl)C=O AB41161 [0,1,0,0,0,0|3,0,0]=4 514 B10R1.176 Cc1cc(ncc1F)C=O AB75169 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.176 Cc1ccc(cc1Br)C#N AB29736 [0,1,0,0,0,0|2,0,1]=4 516 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [0,1,0,0,0,0|2,0,1]=4 517 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [0,1,0,0,0,0|2,0,0]=3 518 B10R1.176 Cc1ccc(cc1O)NC MB25401 [0,1,0,0,0,0|2,0,1]=4 519 B10R1.176 Cc1ccc(cc1O)OC MB11905 [0,1,0,0,0,0|2,0,1]=4 520 B10R1.176 Cc1ccc(cc1O)SC MB25438 [0,1,0,0,0,0|2,0,1]=4 521 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [0,1,0,0,0,0|3,0,0]=4 522 B10R1.176 Cc1ccc(nc1Cl)C=O AB75097 [0,1,0,0,0,0|3,0,0]=4 523 B10R1.176 Cc1ccc(nc1F)C=O AB72847 [0,1,0,0,0,0|3,0,0]=4 524 B10R1.176 Cc1cnc(cc1Br)C=O AB70162 [0,1,0,0,0,0|3,0,0]=4 525 B10R1.176 Cc1cnc(cc1Cl)C=O AB67497 [0,1,0,0,0,0|3,0,0]=4 526 B10R1.176 Cc1cnc(cc1F)C=O AB82952 [0,1,0,0,0,0|3,0,0]=4 527 B10R1.176 Cn1ccc(cc1=O)C=O PB35148 [0,1,0,0,0,0|3,0,0]=4 528 B10R1.176 c1c(cnc(c1Br)Cl)C=O AB64592 [0,1,0,0,0,0|3,0,0]=4 529 B10R1.176 c1c(cnc(c1Cl)Br)C=O AB70941 [0,1,0,0,0,0|3,0,0]=4 530 B10R1.176 c1c(cnc(c1Cl)F)C=O AB70931 [0,1,0,0,0,0|3,0,0]=4 531 B10R1.176 c1c(cnc(c1Cl)N)C=O AB76562 [0,1,0,0,0,0|3,0,0]=4 532 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [0,1,0,0,0,0|2,0,1]=4 534 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.176 c1c(cnc(c1F)Br)C=O AB70942 [0,1,0,0,0,0|3,0,0]=4 536 B10R1.176 c1c(cnc(c1F)Cl)C=O AB67661 [0,1,0,0,0,0|3,0,0]=4 537 B10R1.176 c1c(cnc(c1F)F)C=O AB70938 [0,1,0,0,0,0|3,0,0]=4 538 B10R1.176 c1c(cnc(c1N)Cl)C=O AB67746 [0,1,0,0,0,0|3,0,0]=4 539 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.176 c1c(ncc(c1Cl)Br)C=O AB67641 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.176 c1c(ncc(c1Cl)Cl)C=O AB67602 [0,1,0,0,0,0|3,0,0]=4 542 B10R1.176 c1c(ncc(c1Cl)F)C=O AB67655 [0,1,0,0,0,0|3,0,0]=4 543 B10R1.176 c1c(ncc(c1Cl)N)C=O AB67744 [0,1,0,0,0,0|3,0,0]=4 544 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [0,1,0,0,0,0|2,0,0]=3 545 B10R1.176 c1c(ncc(c1Cl)O)CCl AB84011 [0,1,0,0,0,0|2,0,1]=4 546 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [0,1,0,0,0,0|2,0,1]=4 547 B10R1.176 c1c(ncc(c1F)Cl)C=O AB82983 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.176 c1c(ncc(c1F)F)C=O AB73186 [0,1,0,0,0,0|3,0,0]=4 549 B10R1.176 c1c(ncc(c1N)Cl)C=O AB83912 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.176 c1c(ncc(c1O)Cl)C=O AB75002 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.176 c1cc(c(cc1C#N)F)N AB02282 [0,1,0,0,0,0|2,0,1]=4 552 B10R1.176 c1cc(c(cc1C#N)I)N AB17464 [0,1,0,0,0,0|2,0,1]=4 553 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [0,1,0,0,0,0|1,0,1]=3 554 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [0,1,0,0,0,0|2,0,1]=4 555 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [0,1,0,0,0,0|2,0,1]=4 556 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [0,1,0,0,0,0|2,0,1]=4 557 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [0,1,0,0,0,0|2,0,1]=4 558 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [0,1,0,0,0,0|2,0,0]=3 559 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [0,1,0,0,0,0|2,0,0]=3 560 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [0,1,0,0,0,0|1,0,0]=2 561 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [0,1,0,0,0,0|1,0,0]=2 562 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [0,1,0,0,0,0|2,0,0]=3 563 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [0,1,0,0,0,0|2,0,0]=3 564 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [0,1,0,0,0,0|2,0,0]=3 565 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [0,1,0,0,0,0|2,0,0]=3 566 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [0,1,0,0,0,0|2,0,1]=4 567 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [0,1,0,0,0,0|1,0,1]=3 568 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [0,1,0,0,0,0|1,0,1]=3 569 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [0,1,0,0,0,0|2,0,1]=4 570 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [0,1,0,0,0,0|1,0,1]=3 571 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [0,1,0,0,0,0|1,0,1]=3 572 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [0,1,0,0,0,0|1,0,1]=3 573 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [0,1,0,0,0,0|2,0,1]=4 574 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [0,1,0,0,0,0|2,0,1]=4 575 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [0,1,0,0,0,0|2,0,1]=4 576 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [0,1,0,0,0,0|2,0,1]=4 577 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [0,1,0,0,0,0|2,0,1]=4 578 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [0,1,0,0,0,0|2,0,1]=4 579 B10R1.176 c1cc(c(cc1NN)F)F AB13306 [0,1,0,0,0,0|3,0,0]=4 580 B10R1.176 c1cc(c(nc1C=O)Cl)F AB70948 [0,1,0,0,0,0|3,0,0]=4 581 B10R1.176 c1cc(c(nc1C=O)Cl)N AB75366 [0,1,0,0,0,0|3,0,0]=4 582 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [0,1,0,0,0,0|2,0,0]=3 583 B10R1.176 c1cc(c(nc1C=O)F)Cl AB70952 [0,1,0,0,0,0|3,0,0]=4 584 B10R1.176 c1cc(c(nc1C=O)F)F AB70940 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.176 c1cc(c(nc1C=O)N)Cl AB83955 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.176 c1cc(c(nc1C=O)O)Cl AB70962 [0,1,0,0,0,0|3,0,0]=4 587 B10R1.176 c1cc(c(nc1CCl)Cl)O AB76573 [0,1,0,0,0,0|2,0,1]=4 588 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [0,1,0,0,0,0|2,0,1]=4 589 B8R1.1 Cc1ccc(s1)C=O AB00417 [0,0,0,0,1,0|3,0,0]=4 590 B8R1.1 c1c(csc1Br)C=O PB31345 [0,0,0,0,1,0|3,0,0]=4 591 B8R1.1 c1c(csc1C=O)Br PB24526 [0,0,0,0,1,0|3,0,0]=4 592 B8R1.1 c1c(csc1C=O)Cl PB20572 [0,0,0,0,1,0|3,0,0]=4 593 B8R1.1 c1c(csc1Cl)C=O PB18241 [0,0,0,0,1,0|3,0,0]=4 594 B8R1.1 c1cc(sc1C=O)Br PB32069 [0,0,0,0,1,0|3,0,0]=4 595 B8R1.1 c1cc(sc1C=O)Cl PB17085 [0,0,0,0,1,0|3,0,0]=4 596 B7R1.3 c1c(cncn1)O PB27730 [2,0,0,0,0,0|2,0,0]=4 597 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|2,0,0]=4 598 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|2,0,0]=4 599 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|1,0,1]=4 600 B7R1.3 c1cc(nnc1)O PB32258 [2,0,0,0,0,0|2,0,0]=4 601 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|2,0,0]=4 602 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|2,0,0]=4 603 B7R1.3 c1cnccc1Br AB05093 [2,0,0,0,0,0|2,0,0]=4 604 B7R1.3 c1cnccc1I AB10861 [2,0,0,0,0,0|2,0,0]=4 605 B7R1.3 c1cnccc1O PB17041 [2,0,0,0,0,0|1,0,0]=3 606 B7R1.3 c1cncnc1O PB32093 [2,0,0,0,0,0|2,0,0]=4 607 B9R1.2 C=Cc1cccc(n1)Br AB74634 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|1,0,1]=4 609 B9R1.2 Cc1cc(ccn1)C=O AB24827 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.2 Cc1cccc(n1)C=O AB00683 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.2 c1c(cncc1Br)C=O PB10234 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.2 c1c(cncc1Cl)C=O PB29540 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.2 c1c(cncc1F)C=O PB12469 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.2 c1c(cncc1I)C=O AB45533 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.2 c1c(cncc1N)C=O AB67741 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.2 c1c(cncc1O)C=O AB67779 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,1,0,0,0,0|1,0,1]=4 621 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.2 c1cnc(cc1Br)C=O PB10584 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.2 c1cnc(cc1C=O)Br AB17326 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.2 c1cnc(cc1C=O)F AB24818 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.2 c1cnc(cc1F)C=O AB68024 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.2 c1cnc(cc1N)C=O AB68102 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.2 c1cnc(cc1O)C=O AB68125 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.6 C=C(c1ccccn1)Br AB31950 [1,1,0,0,0,0|1,0,0]=3 633 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,1,0,0,0,0|1,0,1]=4 634 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,1,0,0,0,0|1,0,1]=4 635 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,1,0,0,0,0|1,0,1]=4 636 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,1,0,0,0,0|0,0,2]=4 637 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,1,0,0,0,0|1,0,0]=3 638 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.6 c1cnccc1C(=N)N MB02852 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.6 c1cnccc1C(=O)O AB00757 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.6 c1cnccc1C(=S)N AB00764 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,1,0,0,0,0|1,0,1]=4 645 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,1,0,0,0,0|0,0,0]=2 646 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,1,0,0,0,0|1,0,0]=3 647 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,1,0,0,0,0|1,0,1]=4 648 B9R1.15 C#Cc1ccccc1Br AB10375 [1,1,0,0,0,0|0,0,2]=4 649 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.15 Cc1cccnc1C=O PB14292 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.15 Cc1ccncc1C=O PB23498 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.15 Cc1cnccc1C=O AB11481 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.15 c1cncc(c1Br)C=O AB25683 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.15 c1cncc(c1Br)C=O AB53933 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 c1cncc(c1C=O)Br PB17335 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.15 c1cncc(c1C=O)Cl AB23043 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.15 c1cncc(c1C=O)F PB32422 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.15 c1cncc(c1C=O)N PB20170 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.15 c1cncc(c1C=O)O AB08714 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 c1cncc(c1Cl)C=O AB17590 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 c1cncc(c1F)C=O AB32109 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.15 c1cncc(c1N)C=O AB12471 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 c1cncc(c1N)C=O PB27639 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.15 c1cncc(c1O)C=O AB59870 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [1,1,0,0,0,0|1,0,1]=4 688 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [1,1,0,0,0,0|1,0,1]=4 689 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [1,1,0,0,0,0|1,0,1]=4 690 B9R1.69 Cc1cc(ccc1I)O MB06793 [1,1,0,0,0,0|1,0,0]=3 691 B9R1.69 Cc1cc(cnc1Br)O AB53545 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.69 Cc1cc(cnc1C)O AB65534 [1,1,0,0,0,0|1,0,1]=4 693 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.69 Cc1cc(cnc1F)O AB53562 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.69 Cc1cc(cnc1O)Br AB15087 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.69 Cc1cc(cnc1O)F AB82901 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.69 Cc1cc(cnc1O)I CB10781 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.69 Cc1cc(cnc1O)N AB41215 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.69 Cc1cc(ncc1Br)O AB15096 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.69 Cc1cc(ncc1C)O AB71287 [1,1,0,0,0,0|1,0,1]=4 702 B9R1.69 Cc1cc(ncc1Cl)O AB41155 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.69 Cc1cc(ncc1O)C AB44457 [1,1,0,0,0,0|1,0,1]=4 704 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.69 Cc1cc(ncc1O)F AB71303 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [1,1,0,0,0,0|0,1,1]=4 707 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [1,1,0,0,0,0|0,0,1]=3 709 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [1,1,0,0,0,0|1,0,1]=4 710 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [1,1,0,0,0,0|1,0,1]=4 711 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [1,1,0,0,0,0|1,0,1]=4 712 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [1,1,0,0,0,0|1,0,1]=4 713 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [1,1,0,0,0,0|1,0,1]=4 716 B9R1.69 Cc1ccc(cc1I)O MB07177 [1,1,0,0,0,0|0,0,1]=3 717 B9R1.69 Cc1ccc(cc1O)Br MB05210 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.69 Cc1ccc(cc1O)I MB12091 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.69 Cc1ccc(nc1C)O AB54521 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [1,1,0,0,0,0|1,0,1]=4 721 B9R1.69 Cc1ccc(nc1F)O AB71306 [1,1,0,0,0,0|1,0,1]=4 722 B9R1.69 Cc1cnc(cc1Cl)O AB71200 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.69 Cc1cnc(cc1F)O AB71320 [1,1,0,0,0,0|1,0,1]=4 724 B9R1.69 c1c(c(cnc1Br)O)Cl AB74967 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.69 c1c(c(cnc1Cl)O)Cl AB69698 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.69 c1c(c(cnc1Cl)O)N AB69322 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.69 c1c(c(cnc1F)O)Cl AB71151 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.69 c1c(c(cnc1N)O)Cl AB84009 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.69 c1c(c(cnc1O)Cl)F AB71160 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.69 c1c(c(cnc1O)Cl)N AB70866 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.69 c1c(c(cnc1O)F)Cl AB71159 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.69 c1c(c(cnc1O)N)Cl AB83889 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.69 c1c(c(cnc1O)O)Cl AB84006 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.69 c1c(cnc(c1Br)Cl)O CB11311 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.69 c1c(cnc(c1Br)O)Br AB01360 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.69 c1c(cnc(c1Br)O)Cl AB09921 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.69 c1c(cnc(c1Cl)F)O AB43291 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.69 c1c(cnc(c1Cl)O)Br AB05076 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.69 c1c(cnc(c1Cl)O)Cl AB03534 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.69 c1c(cnc(c1Cl)O)F AB66743 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.69 c1c(cnc(c1Cl)O)N AB76242 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.69 c1c(cnc(c1Cl)O)O AB71133 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.69 c1c(cnc(c1F)Cl)O AB14157 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.69 c1c(cnc(c1F)O)Br AB40961 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.69 c1c(cnc(c1F)O)Cl AB41032 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.69 c1c(cnc(c1I)O)Br AB48195 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.69 c1c(cnc(c1N)Cl)O AB70860 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.69 c1c(cnc(c1N)O)Br AB16428 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.69 c1c(cnc(c1N)O)Cl AB40990 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.69 c1c(cnc(c1N)O)N AB64414 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.69 c1cc(c(cc1Br)Br)I AB51495 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [1,1,0,0,0,0|1,0,0]=3 755 B9R1.69 c1cc(c(cc1Br)I)N AB10839 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [1,1,0,0,0,0|1,0,0]=3 757 B9R1.69 c1cc(c(cc1Br)N)I AB51497 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.69 c1cc(c(cc1Br)N)N AB11949 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.69 c1cc(c(cc1Br)N)S AB54823 [1,1,0,0,0,0|1,1,0]=4 761 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.69 c1cc(c(cc1Br)S)N AB07437 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.69 c1cc(c(cc1Cl)I)N PB21792 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [1,1,0,0,0,0|1,0,0]=3 766 B9R1.69 c1cc(c(cc1Cl)N)I AB28269 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.69 c1cc(c(cc1Cl)S)N AB13353 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.69 c1cc(c(cc1F)F)I MB00398 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.69 c1cc(c(cc1F)I)N AB01932 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.69 c1cc(c(cc1F)I)O MB14767 [1,1,0,0,0,0|1,0,0]=3 773 B9R1.69 c1cc(c(cc1F)N)N AB01910 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.69 c1cc(c(cc1F)N)S AB54821 [1,1,0,0,0,0|1,1,0]=4 775 B9R1.69 c1cc(c(cc1F)O)I MB25431 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.69 c1cc(c(cc1F)S)N AB54817 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [1,1,0,0,0,0|1,0,0]=3 778 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [1,1,0,0,0,0|1,0,0]=3 779 B9R1.69 c1cc(c(cc1I)F)O MB09308 [1,1,0,0,0,0|1,0,0]=3 780 B9R1.69 c1cc(c(cc1I)I)O MB01999 [1,1,0,0,0,0|1,0,0]=3 781 B9R1.69 c1cc(c(cc1I)N)Cl AB64100 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.69 c1cc(c(cc1I)N)O MB14432 [1,1,0,0,0,0|1,0,0]=3 783 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.69 c1cc(c(cc1I)O)F MB14983 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.69 c1cc(c(cc1I)O)I MB07529 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.69 c1cc(c(cc1I)O)N MB14436 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.69 c1cc(c(cc1N)Cl)I AB02146 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.69 c1cc(c(cc1N)F)Cl AB08243 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.69 c1cc(c(cc1N)F)I AB42340 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.69 c1cc(c(cc1N)F)N MB08293 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.69 c1cc(c(cc1N)I)Cl MB09944 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.69 c1cc(c(cc1N)O)F MB13362 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.69 c1cc(c(cc1N)O)I MB37209 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [1,1,0,0,0,0|1,0,0]=3 796 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [1,1,0,0,0,0|1,0,0]=3 797 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [1,1,0,0,0,0|1,0,0]=3 798 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [1,1,0,0,0,0|1,0,0]=3 799 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [1,1,0,0,0,0|1,0,0]=3 800 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [1,1,0,0,0,0|1,0,0]=3 801 B9R1.69 c1cc(c(cc1O)F)I MB11930 [1,1,0,0,0,0|1,0,0]=3 802 B9R1.69 c1cc(c(cc1O)F)N AB09438 [1,1,0,0,0,0|1,0,0]=3 803 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [1,1,0,0,0,0|1,0,0]=3 804 B9R1.69 c1cc(c(cc1O)I)F MB25606 [1,1,0,0,0,0|1,0,0]=3 805 B9R1.69 c1cc(c(cc1O)I)I MB25449 [1,1,0,0,0,0|1,0,0]=3 806 B9R1.69 c1cc(c(cc1O)I)N MB25412 [1,1,0,0,0,0|1,0,0]=3 807 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [1,1,0,0,0,0|1,0,0]=3 808 B9R1.69 c1cc(c(cc1O)N)I MB13452 [1,1,0,0,0,0|1,0,0]=3 809 B9R1.69 c1cc(c(cc1O)N)N MB04238 [1,1,0,0,0,0|1,0,0]=3 810 B9R1.69 c1cc(nc(c1Cl)F)O AB71143 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.69 c1cc(nc(c1Cl)N)O AB83953 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.69 c1cc(nc(c1F)Cl)O AB71136 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.69 c1cc(nc(c1N)Cl)O AB70861 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.69 c1cc(nc(c1O)Cl)Br AB64867 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.69 c1cc(nc(c1O)Cl)Cl AB62926 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.69 c1cc(nc(c1O)Cl)N AB84093 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.69 c1cc(nc(c1O)Cl)O AB71131 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.69 c1cc(nc(c1O)N)Br AB63559 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.69 c1cc(nc(c1O)N)Cl AB69334 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,2,0,0,0,0|1,0,1]=4 822 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,2,0,0,0,0|1,0,1]=4 823 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,2,0,0,0,0|1,0,1]=4 824 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,2,0,0,0,0|1,0,1]=4 825 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,2,0,0,0,0|0,0,1]=3 826 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,2,0,0,0,0|0,0,2]=4 827 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,2,0,0,0,0|1,0,1]=4 828 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,2,0,0,0,0|0,0,2]=4 829 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,2,0,0,0,0|1,0,1]=4 831 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,2,0,0,0,0|1,0,1]=4 832 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,2,0,0,0,0|1,0,1]=4 833 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,2,0,0,0,0|1,0,1]=4 834 B11R1.20 c1cc(ccc1N=C(N)N)Cl AB04678 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,2,0,0,0,0|0,0,1]=3 836 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,2,0,0,0,0|1,0,1]=4 837 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,2,0,0,0,0|1,0,1]=4 838 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,2,0,0,0,0|0,0,1]=3 840 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,2,0,0,0,0|1,0,1]=4 841 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,2,0,0,0,0|1,0,1]=4 842 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,2,0,0,0,0|1,0,0]=3 848 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [0,2,0,0,0,0|1,0,0]=3 849 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,2,0,0,0,0|0,0,0]=2 850 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,2,0,0,0,0|1,0,1]=4 851 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.81 c1cc(c(cc1Br)F)\C=N\O AB03857 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.83 CCOc1ccc(nc1)C=O AB73192 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.83 COc1ccc(cc1)CC#C AB61379 [0,2,0,0,0,0|0,0,2]=4 856 B11R1.83 COc1ccc(cc1)CC=O AB11810 [0,2,0,0,0,0|0,0,1]=3 857 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,2,0,0,0,0|0,0,2]=4 858 B11R1.83 COc1ccc(cc1)CNN PB19937 [0,2,0,0,0,0|1,0,1]=4 859 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [0,2,0,0,0,0|0,0,0]=2 860 B11R1.83 c1cc(ccc1C=O)N=C=O AB74254 [0,2,0,0,0,0|1,0,1]=4 861 B11R1.83 c1cc(ccc1CCN)CO AB30409 [0,2,0,0,0,0|0,0,2]=4 862 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [0,2,0,0,0,0|1,0,1]=4 864 B11R1.3 B(c1ccc(cc1)C#C)(O)O AB48280 [0,2,0,0,0,0|0,0,2]=4 865 B11R1.3 B(c1ccc(cc1)C#N)(O)O AB08783 [0,2,0,0,0,0|1,0,1]=4 866 B11R1.3 B(c1ccc(cc1)C=C)(O)O AB05462 [0,2,0,0,0,0|0,0,0]=2 867 B11R1.3 B(c1ccc(cc1)C=O)(O)O AB03995 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.3 B(c1ccc(cc1)CBr)(O)O AB08630 [0,2,0,0,0,0|1,0,1]=4 869 B11R1.3 B(c1ccc(cc1)CC)(O)O AB07463 [0,2,0,0,0,0|0,0,2]=4 870 B11R1.3 B(c1ccc(cc1)CCl)(O)O AB30901 [0,2,0,0,0,0|1,0,1]=4 871 B11R1.3 B(c1ccc(cc1)CN)(O)O AB09461 [0,2,0,0,0,0|1,0,1]=4 872 B11R1.3 B(c1ccc(cc1)CO)(O)O AB07121 [0,2,0,0,0,0|1,0,1]=4 873 B11R1.3 B(c1ccc(cc1)OC)(O)O AB01770 [0,2,0,0,0,0|1,0,1]=4 874 B11R1.3 B(c1ccc(cc1)SC)(O)O AB03347 [0,2,0,0,0,0|1,0,1]=4 875 B11R1.3 B(c1ccc(nc1)C=O)(O)O AB23829 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [0,2,0,0,0,0|1,0,1]=4 877 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,2,0,0,0,0|1,0,1]=4 878 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,2,0,0,0,0|1,0,1]=4 879 B11R1.3 CCc1ccc(cc1)C(=S)N AB23762 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.3 CN(C)c1ccc(cc1)CO AB16431 [0,2,0,0,0,0|1,0,1]=4 881 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,2,0,0,0,0|1,0,0]=3 883 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [0,2,0,0,0,0|1,0,0]=3 884 B11R1.3 COc1ccc(cn1)C(=N)N MB05831 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.3 c1cc(ccc1C=O)C(=N)N AB11535 [0,2,0,0,0,0|1,0,1]=4 888 B11R1.3 c1cc(ncc1C=O)C(=O)O AB63121 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [0,2,0,0,0,0|0,0,2]=4 891 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.279 CCc1ccc(cc1O)OC MB04144 [0,2,0,0,0,0|0,0,2]=4 893 B11R1.279 CNc1ccc(c(c1)O)C=O MB38816 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.279 CNc1ccc(cc1O)OC MB36336 [0,2,0,0,0,0|1,0,1]=4 896 B11R1.279 COc1c(cc(cn1)C=O)Br AB70947 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.279 COc1c(cc(cn1)C=O)Cl AB20954 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.279 COc1c(cc(cn1)C=O)F AB17649 [0,2,0,0,0,0|2,0,0]=4 899 B11R1.279 COc1cc(c(cn1)C=O)Br AB67009 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.279 COc1cc(c(cn1)C=O)Cl AB66998 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.279 COc1cc(c(cn1)C=O)N AB83675 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.279 COc1cc(c(cn1)C=O)O AB74871 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.279 COc1cc(c(nc1)C=O)N AB83737 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.279 COc1cc(c(nc1)C=O)O AB84580 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.279 COc1ccc(c(c1)Br)C#N MB06936 [0,2,0,0,0,0|1,0,1]=4 906 B11R1.279 COc1ccc(c(c1)F)CBr AB50043 [0,2,0,0,0,0|1,0,1]=4 907 B11R1.279 COc1ccc(c(c1)F)CN AB20685 [0,2,0,0,0,0|1,0,1]=4 908 B11R1.279 COc1ccc(c(c1)F)CO AB20682 [0,2,0,0,0,0|1,0,1]=4 909 B11R1.279 COc1ccc(c(c1)N)C#N AB21542 [0,2,0,0,0,0|1,0,1]=4 910 B11R1.279 COc1ccc(c(c1)N)C=O AB54699 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [0,2,0,0,0,0|1,0,1]=4 912 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [0,2,0,0,0,0|1,0,1]=4 913 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [0,2,0,0,0,0|1,0,1]=4 914 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [0,2,0,0,0,0|1,0,1]=4 915 B11R1.279 COc1ccc(c(n1)Br)C=O AB68201 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.279 COc1ccc(c(n1)Cl)C=O AB59889 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.279 COc1ccc(c(n1)F)C=O AB71338 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.279 COc1ccc(c(n1)N)C=O AB76143 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.279 COc1ccc(c(n1)O)C=O AB84537 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.279 COc1ccc(cc1Br)C#N AB03835 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [0,2,0,0,0,0|1,0,1]=4 922 B11R1.279 COc1ccc(cc1F)C#N AB04880 [0,2,0,0,0,0|1,0,1]=4 923 B11R1.279 COc1ccc(cc1O)C#N MB02393 [0,2,0,0,0,0|1,0,1]=4 924 B11R1.279 COc1ccc(cc1O)SC MB37214 [0,2,0,0,0,0|1,0,1]=4 925 B11R1.279 COc1cnc(cc1Cl)C=O AB67540 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.279 CSc1ccc(c(c1)O)C=O MB32919 [0,2,0,0,0,0|1,1,0]=4 927 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [0,2,0,0,0,0|1,1,0]=4 928 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.279 c1cc(c(cc1C#N)F)C=O AB32080 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.279 c1cc(c(cc1C#N)O)C=O MB06108 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.279 c1cc(c(cc1C=O)F)C#N AB28328 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.279 c1cc(c(cc1C=O)O)C#N MB25582 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [0,2,0,0,0,0|1,0,1]=4 934 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.279 c1cc(c(cc1CO)F)C#N AB44199 [0,2,0,0,0,0|1,0,1]=4 936 B11R1.19 CS(=O)(=O)c1ccc(cc1)O AB02067 [0,2,0,0,0,0|1,0,1]=4 937 B11R1.21 B(c1ccc(c(c1)F)O)(O)O AB26445 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.21 CC(=O)c1cc(c(cn1)O)Cl AB75001 [0,2,0,0,0,0|1,0,1]=4 939 B11R1.21 CC(=O)c1cc(c(nc1)O)Cl AB84068 [0,2,0,0,0,0|1,0,1]=4 940 B11R1.21 CC(=O)c1ccc(c(n1)Cl)O AB74855 [0,2,0,0,0,0|1,0,1]=4 941 B11R1.21 CC(C)c1ccc(c(c1)Cl)O MB22550 [0,2,0,0,0,0|0,0,2]=4 942 B11R1.21 CC(C)c1ccc(c(c1)F)O MB22546 [0,2,0,0,0,0|0,0,2]=4 943 B11R1.21 CC(C)c1ccc(c(c1)I)O MB22548 [0,2,0,0,0,0|0,0,2]=4 944 B11R1.21 CN(C)c1ccc(c(c1)Br)O MB24862 [0,2,0,0,0,0|1,0,1]=4 945 B11R1.21 CN(C)c1ccc(c(c1)Cl)O MB24865 [0,2,0,0,0,0|1,0,1]=4 946 B11R1.21 CN(C)c1ccc(c(c1)F)O MB24855 [0,2,0,0,0,0|1,0,1]=4 947 B11R1.21 CN(C)c1ccc(c(c1)I)O MB24856 [0,2,0,0,0,0|1,0,1]=4 948 B11R1.21 CN(C)c1ccc(c(c1)N)O MB24858 [0,2,0,0,0,0|1,0,1]=4 949 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [0,2,0,0,0,0|0,0,2]=4 951 B11R1.21 Cc1cc(ccc1O)N(C)C MB23339 [0,2,0,0,0,0|1,0,1]=4 952 B11R1.21 Cc1ccc(cc1C)C(=N)N AB21798 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.21 Cc1ccc(cc1C)C(=S)N AB26899 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.21 c1c(c(cnc1C(=O)O)O)Cl AB67787 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O AB02225 [0,2,0,0,0,0|2,0,0]=4 957 B11R1.21 c1cc(c(cc1C(=N)N)Br)F AB18332 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F AB06667 [0,2,0,0,0,0|2,0,0]=4 959 B11R1.21 c1cc(c(cc1C(=N)N)F)Br AB39276 [0,2,0,0,0,0|2,0,0]=4 960 B11R1.21 c1cc(c(cc1C(=N)N)F)F AB18316 [0,2,0,0,0,0|2,0,0]=4 961 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [0,2,0,0,0,0|1,0,0]=3 962 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [0,2,0,0,0,0|1,0,0]=3 964 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [0,2,0,0,0,0|1,0,0]=3 965 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [0,2,0,0,0,0|1,0,0]=3 967 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [0,2,0,0,0,0|1,0,0]=3 975 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O AB64506 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.166 B(c1ccc(cc1C)O)(O)O AB16000 [0,2,0,0,0,0|2,0,0]=4 981 B11R1.166 B(c1ccc(cc1Cl)O)(O)O AB12627 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,2,0,0,0,0|1,0,1]=4 983 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,2,0,0,0,0|1,0,1]=4 984 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,2,0,0,0,0|1,0,1]=4 985 B11R1.166 CC(C)c1ccc(cc1Br)O MB22589 [0,2,0,0,0,0|0,0,2]=4 986 B11R1.166 CC(C)c1ccc(cc1Cl)O MB22592 [0,2,0,0,0,0|0,0,2]=4 987 B11R1.166 CC(C)c1ccc(cc1F)O MB22574 [0,2,0,0,0,0|0,0,2]=4 988 B11R1.166 CC(C)c1ccc(cc1I)O MB22578 [0,2,0,0,0,0|0,0,2]=4 989 B11R1.166 CN(C)c1ccc(cc1Br)O MB24896 [0,2,0,0,0,0|1,0,1]=4 990 B11R1.166 CN(C)c1ccc(cc1Cl)O MB24897 [0,2,0,0,0,0|1,0,1]=4 991 B11R1.166 CN(C)c1ccc(cc1F)O MB24879 [0,2,0,0,0,0|1,0,1]=4 992 B11R1.166 CN(C)c1ccc(cc1I)O MB24881 [0,2,0,0,0,0|1,0,1]=4 993 B11R1.166 CN(C)c1ccc(cc1N)O MB24885 [0,2,0,0,0,0|1,0,1]=4 994 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.166 Cc1cc(ccc1C(=N)N)Br AB18383 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [0,2,0,0,0,0|1,0,0]=3 997 B11R1.166 Cc1cc(ccc1N(C)C)O MB08301 [0,2,0,0,0,0|1,0,1]=4 998 B11R1.166 Cc1cc(ncc1C(=O)O)O AB65757 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.166 Cc1ccc(c(c1)Cl)C(=N)N AB18279 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,2,0,0,0,0|2,0,0]=4 1002 B11R1.166 c1c(c(cnc1O)C(=O)O)Cl AB67983 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [0,2,0,0,0,0|2,0,0]=4 1004 B11R1.166 c1cc(c(cc1Br)F)C(=N)N AB18335 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,2,0,0,0,0|2,0,0]=4 1009 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N AB18390 [0,2,0,0,0,0|2,0,0]=4 1010 B11R1.166 c1cc(c(cc1Cl)F)C(=N)N AB18342 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [0,2,0,0,0,0|2,0,0]=4 1013 B11R1.166 c1cc(c(cc1F)Cl)C(=N)N AB18354 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.166 c1cc(c(cc1F)F)C(=N)N AB18346 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,2,0,0,0,0|2,0,0]=4 1019 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [0,2,0,0,0,0|1,0,0]=3 1020 B11R1.166 c1cc(c(cc1O)Br)[N+](=O)[O-] MB08147 [0,2,0,0,0,0|2,0,0]=4 1021 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.166 c1cc(c(cc1O)Cl)[N+](=O)[O-] MB01255 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [0,2,0,0,0,0|1,0,0]=3 1024 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] AB01868 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [0,2,0,0,0,0|1,0,0]=3 1026 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [0,2,0,0,0,0|1,0,0]=3 1027 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [0,2,0,0,0,0|1,0,0]=3 1028 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [0,2,0,0,0,0|1,0,0]=3 1029 B11R1.37 CCc1cc(ccc1C#N)O MB23725 [0,2,0,0,0,0|1,0,1]=4 1030 B11R1.37 CCc1cc(ccc1C=O)O MB23751 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.37 CCc1cc(ccc1CN)O MB23752 [0,2,0,0,0,0|1,0,1]=4 1032 B11R1.37 CCc1cc(ccc1NC)O MB23761 [0,2,0,0,0,0|1,0,1]=4 1033 B11R1.37 CCc1cc(ccc1OC)O MB13572 [0,2,0,0,0,0|1,0,1]=4 1034 B11R1.37 CCc1cc(ccc1SC)O MB23769 [0,2,0,0,0,0|1,0,1]=4 1035 B11R1.37 CCc1ccc(cc1C#N)O MB23915 [0,2,0,0,0,0|0,0,2]=4 1036 B11R1.37 CCc1ccc(cc1C=O)O MB23937 [0,2,0,0,0,0|0,0,2]=4 1037 B11R1.37 CCc1ccc(cc1CC)O MB23941 [0,2,0,0,0,0|0,0,2]=4 1038 B11R1.37 CCc1ccc(cc1CN)O MB23942 [0,2,0,0,0,0|0,0,2]=4 1039 B11R1.37 CCc1ccc(cc1NC)O MB23952 [0,2,0,0,0,0|0,0,2]=4 1040 B11R1.37 CCc1ccc(cc1OC)O MB23954 [0,2,0,0,0,0|0,0,2]=4 1041 B11R1.37 CCc1ccc(cc1SC)O MB23964 [0,2,0,0,0,0|0,0,2]=4 1042 B11R1.37 CNc1cc(ccc1C#N)O MB33299 [0,2,0,0,0,0|1,0,1]=4 1043 B11R1.37 CNc1cc(ccc1C=O)O MB38802 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.37 CNc1cc(ccc1CN)O MB25975 [0,2,0,0,0,0|1,0,1]=4 1045 B11R1.37 CNc1cc(ccc1OC)O MB27280 [0,2,0,0,0,0|1,0,1]=4 1046 B11R1.37 CNc1cc(ccc1SC)O MB34610 [0,2,0,0,0,0|1,0,1]=4 1047 B11R1.37 CNc1ccc(cc1C#N)O MB38837 [0,2,0,0,0,0|1,0,1]=4 1048 B11R1.37 CNc1ccc(cc1C=O)O MB25553 [0,2,0,0,0,0|1,0,1]=4 1049 B11R1.37 CNc1ccc(cc1CN)O MB38111 [0,2,0,0,0,0|1,0,1]=4 1050 B11R1.37 CNc1ccc(cc1NC)O MB29942 [0,2,0,0,0,0|1,0,1]=4 1051 B11R1.37 CNc1ccc(cc1OC)O MB33444 [0,2,0,0,0,0|1,0,1]=4 1052 B11R1.37 CNc1ccc(cc1SC)O MB28485 [0,2,0,0,0,0|1,0,1]=4 1053 B11R1.37 COc1cc(ccc1C#N)O MB06526 [0,2,0,0,0,0|1,0,1]=4 1054 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.37 COc1cc(ccc1CN)O MB05069 [0,2,0,0,0,0|1,0,1]=4 1056 B11R1.37 COc1ccc(cc1C#N)O MB32417 [0,2,0,0,0,0|1,0,1]=4 1057 B11R1.37 COc1ccc(cc1CN)O MB28958 [0,2,0,0,0,0|1,0,1]=4 1058 B11R1.37 COc1ccc(cc1SC)O MB31332 [0,2,0,0,0,0|1,0,1]=4 1059 B11R1.37 CSc1cc(ccc1C#N)O MB38068 [0,2,0,0,0,0|1,0,1]=4 1060 B11R1.37 CSc1cc(ccc1C=O)O MB34891 [0,2,0,0,0,0|1,0,0]=3 1061 B11R1.37 CSc1cc(ccc1CN)O MB26243 [0,2,0,0,0,0|1,0,1]=4 1062 B11R1.37 CSc1ccc(cc1C#N)O MB29644 [0,2,0,0,0,0|1,0,1]=4 1063 B11R1.37 CSc1ccc(cc1C=O)O MB28246 [0,2,0,0,0,0|1,0,1]=4 1064 B11R1.37 CSc1ccc(cc1CN)O MB36837 [0,2,0,0,0,0|1,0,1]=4 1065 B11R1.37 CSc1ccc(cc1SC)O MB28889 [0,2,0,0,0,0|1,0,1]=4 1066 B11R1.37 c1cc(c(cc1Cl)C#N)C=O MB08901 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.37 c1cc(c(cc1F)C#N)C=O MB06069 [0,2,0,0,0,0|2,0,0]=4 1068 B11R1.37 c1cc(c(cc1O)C#N)CN MB28487 [0,2,0,0,0,0|1,0,1]=4 1069 B11R1.37 c1cc(c(cc1O)C=O)C=O MB33390 [0,2,0,0,0,0|1,0,0]=3 1070 B11R1.37 c1cc(c(cc1O)C=O)CN MB26905 [0,2,0,0,0,0|1,0,1]=4 1071 B11R1.37 c1cc(c(cc1O)CN)C#N MB35393 [0,2,0,0,0,0|1,0,1]=4 1072 B11R1.37 c1cc(c(cc1O)CN)C=O MB30625 [0,2,0,0,0,0|1,0,0]=3 1073 B11R1.37 c1cc(c(cc1O)CN)CN MB03721 [0,2,0,0,0,0|1,0,1]=4 1074 B11R1.277 c1c(c(cc(c1O)O)F)C=O MB02740 [0,2,0,0,0,0|1,0,0]=3 1075 B11R1.278 c1cc(c(c(c1C=O)F)O)O MB02737 [0,2,0,0,0,0|1,0,0]=3 1076 B11R1.464 Cc1cc(cc(c1C=O)C)Br MB09867 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.464 c1c(cc(c(c1Cl)C=O)Cl)Br MB09859 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.464 c1c(cc(c(c1F)C#N)F)O AB13335 [0,2,0,0,0,0|1,0,1]=4 1079 B11R1.464 c1c(cc(c(c1F)C=O)Cl)Cl CB11634 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.14 Cc1cc(cc(c1O)C)C#N PB30622 [0,2,0,0,0,0|1,0,1]=4 1081 B11R1.14 Cc1cc(cc(c1O)Cl)C#N PB11866 [0,2,0,0,0,0|1,0,1]=4 1082 B11R1.14 c1c(cc(c(c1Cl)O)Cl)C#N PB10008 [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.14 c1c(cc(c(c1O)F)F)C=O AB21039 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.14 c1c(cc(c(c1O)O)Br)C=O MB00252 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.280 CCc1cc(ccc1O)C#N MB23616 [0,2,0,0,0,0|1,0,1]=4 1086 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [0,2,0,0,0,0|1,0,0]=3 1087 B11R1.280 CCc1cc(ccc1O)CN MB23654 [0,2,0,0,0,0|1,0,1]=4 1088 B11R1.280 CCc1cc(ccc1O)NC MB23664 [0,2,0,0,0,0|1,0,1]=4 1089 B11R1.280 CCc1cc(ccc1O)OC MB23776 [0,2,0,0,0,0|1,0,1]=4 1090 B11R1.280 CCc1cc(ccc1O)SC MB23777 [0,2,0,0,0,0|1,0,1]=4 1091 B11R1.280 CCc1ccc(c(c1)C#N)O MB23858 [0,2,0,0,0,0|0,0,2]=4 1092 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [0,2,0,0,0,0|0,0,2]=4 1093 B11R1.280 CCc1ccc(c(c1)CN)O MB23892 [0,2,0,0,0,0|0,0,2]=4 1094 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [0,2,0,0,0,0|0,0,2]=4 1095 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [0,2,0,0,0,0|0,0,2]=4 1096 B11R1.280 CNc1cc(ccc1O)C#N MB26626 [0,2,0,0,0,0|1,0,1]=4 1097 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.280 CNc1cc(ccc1O)CN MB28730 [0,2,0,0,0,0|1,0,1]=4 1099 B11R1.280 CNc1cc(ccc1O)OC MB34517 [0,2,0,0,0,0|1,0,1]=4 1100 B11R1.280 CNc1cc(ccc1O)SC MB35888 [0,2,0,0,0,0|1,0,1]=4 1101 B11R1.280 CNc1ccc(c(c1)C#N)O MB38357 [0,2,0,0,0,0|1,0,1]=4 1102 B11R1.280 CNc1ccc(c(c1)C=O)O MB33629 [0,2,0,0,0,0|1,0,1]=4 1103 B11R1.280 CNc1ccc(c(c1)CN)O MB25856 [0,2,0,0,0,0|1,0,1]=4 1104 B11R1.280 CNc1ccc(c(c1)NC)O MB31107 [0,2,0,0,0,0|1,0,1]=4 1105 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [0,2,0,0,0,0|1,0,1]=4 1106 B11R1.280 CNc1ccc(c(c1)SC)O MB32002 [0,2,0,0,0,0|1,0,1]=4 1107 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.280 COc1cc(ccc1N)C=O AB54813 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.280 COc1cc(ccc1O)SC MB01847 [0,2,0,0,0,0|1,0,1]=4 1110 B11R1.280 COc1ccc(c(c1)C#N)O MB02405 [0,2,0,0,0,0|1,0,1]=4 1111 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [0,2,0,0,0,0|1,0,1]=4 1112 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [0,2,0,0,0,0|1,0,1]=4 1113 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [0,2,0,0,0,0|1,0,1]=4 1114 B11R1.280 CSc1cc(ccc1O)C#N MB25650 [0,2,0,0,0,0|1,0,1]=4 1115 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [0,2,0,0,0,0|1,0,0]=3 1116 B11R1.280 CSc1ccc(c(c1)C=O)O MB02696 [0,2,0,0,0,0|1,0,1]=4 1117 B11R1.280 CSc1ccc(c(c1)CN)O MB28138 [0,2,0,0,0,0|1,0,1]=4 1118 B11R1.280 CSc1ccc(c(c1)SC)O MB30090 [0,2,0,0,0,0|1,0,1]=4 1119 B11R1.280 c1c(c(cnc1C=O)O)C=O AB84406 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.280 c1c(cnc(c1C=O)O)C=O AB84515 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.280 c1cc(c(cc1C#N)C#N)O MB10376 [0,2,0,0,0,0|1,0,1]=4 1122 B11R1.280 c1cc(c(cc1C#N)C=O)O MB07859 [0,2,0,0,0,0|1,0,1]=4 1123 B11R1.280 c1cc(c(cc1C#N)CN)O MB30149 [0,2,0,0,0,0|1,0,1]=4 1124 B11R1.280 c1cc(c(cc1C=O)C#N)F CB10572 [0,2,0,0,0,0|2,0,0]=4 1125 B11R1.280 c1cc(c(cc1C=O)C#N)O MB25655 [0,2,0,0,0,0|1,0,0]=3 1126 B11R1.280 c1cc(c(cc1C=O)CN)O MB27171 [0,2,0,0,0,0|1,0,0]=3 1127 B11R1.280 c1cc(c(cc1CN)C#N)O MB33026 [0,2,0,0,0,0|1,0,1]=4 1128 B11R1.280 c1cc(c(cc1CN)C=O)O MB30824 [0,2,0,0,0,0|1,0,1]=4 1129 B11R1.280 c1cc(c(cc1CN)CN)O MB31492 [0,2,0,0,0,0|1,0,1]=4 1130 B11R1.280 c1cc(c(nc1C=O)C=O)O AB76119 [0,2,0,0,0,0|2,0,0]=4 1131 B9R1.3 Cc1c(cccc1Br)O MB09253 [0,0,1,1,0,0|1,0,1]=4 1132 B9R1.3 Cc1c(cccc1I)O MB23347 [0,0,1,1,0,0|1,0,1]=4 1133 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,0,1,1,0,0|1,0,1]=4 1134 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,0,1,1,0,0|1,0,1]=4 1135 B9R1.3 Cc1cccc(c1I)O MB23494 [0,0,1,1,0,0|1,0,1]=4 1136 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [0,0,1,1,0,0|2,0,0]=4 1137 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [0,0,1,1,0,0|2,0,0]=4 1138 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [0,0,1,1,0,0|2,0,0]=4 1139 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [0,0,1,1,0,0|2,0,0]=4 1140 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [0,0,1,1,0,0|2,0,0]=4 1141 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [0,0,1,1,0,0|2,0,0]=4 1142 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [0,0,1,1,0,0|2,0,0]=4 1143 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [0,0,1,1,0,0|2,0,0]=4 1144 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [0,0,1,1,0,0|2,0,0]=4 1145 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [0,0,1,1,0,0|2,0,0]=4 1146 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [0,0,1,1,0,0|2,0,0]=4 1147 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [0,0,1,1,0,0|2,0,0]=4 1148 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [0,0,1,1,0,0|2,0,0]=4 1149 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [0,0,1,1,0,0|2,0,0]=4 1150 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [0,0,1,1,0,0|2,0,0]=4 1151 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [0,0,1,1,0,0|2,0,0]=4 1152 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [0,0,1,1,0,0|2,0,0]=4 1153 B11R2.36 C1C=C(C=C2C1=NC=C2)Br AB00482 [0,1,0,1,0,0|1,0,1]=4 1154 B11R2.36 C1C=C(C=C2C1=NC=C2)Cl AB00485 [0,1,0,1,0,0|1,0,1]=4 1155 B11R2.36 C1C=C(C=C2C1=NC=C2)F AB00483 [0,1,0,1,0,0|1,0,1]=4 1156 B11R2.36 C1C=C(C=C2C1=NC=C2)I AB04939 [0,1,0,1,0,0|1,0,1]=4 1157 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [0,1,0,1,0,0|0,0,1]=3 1158 B11R2.36 C1C=C(C=C2C1=NN=C2)O PB14272 [0,1,0,1,0,0|1,0,1]=4 1159 B11R2.36 C1C=C2C(=CC=N2)N=C1O AB63944 [0,1,0,1,0,0|1,0,1]=4 1160 B11R2.36 C1C=C2C=CN=C2C=C1Br PB27487 [0,1,0,1,0,0|1,0,1]=4 1161 B11R2.36 C1C=C2C=CN=C2C=C1F PB12993 [0,1,0,1,0,0|1,0,1]=4 1162 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [0,1,0,1,0,0|0,0,1]=3 1163 B11R2.36 C1C=C2C=CN=C2N=C1O AB44403 [0,1,0,1,0,0|1,0,1]=4 1164 B11R2.36 CC1=CC2C=CN=C2C=C1 PB24528 [0,1,0,1,0,0|1,0,1]=4 1165 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [0,1,0,1,0,0|1,0,1]=4 1166 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,1,0,1,0,0|1,0,0]=3 1167 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [0,1,0,1,0,0|2,0,0]=4 1168 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [0,1,0,1,0,0|1,0,1]=4 1169 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [0,1,0,1,0,0|1,0,0]=3 1170 B11R2.36 c1cc(cc2c1cco2)N MB09331 [0,1,0,1,0,0|1,0,0]=3 1171 B11R2.36 c1cc(cc2c1cco2)O MB06436 [0,1,0,1,0,0|0,0,0]=2 1172 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [0,1,0,1,0,0|1,0,0]=3 1173 B11R2.36 c1cc(cn2c1ccn2)Br PB33438 [0,1,0,1,0,0|2,0,0]=4 1174 B11R2.36 c1cc(nc2c1scc2)Cl PB25245 [0,1,0,1,0,0|2,0,0]=4 1175 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [0,1,0,1,0,0|2,0,0]=4 1176 B11R2.36 c1cc2c(cc1Br)con2 MB19408 [0,1,0,1,0,0|2,0,0]=4 1177 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [0,1,0,1,0,0|2,0,0]=4 1178 B11R2.36 c1cc2c(cc1Br)ncs2 AB12828 [0,1,0,1,0,0|2,0,0]=4 1179 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [0,1,0,1,0,0|2,0,0]=4 1180 B11R2.36 c1cc2c(cc1Br)scn2 AB19945 [0,1,0,1,0,0|2,0,0]=4 1181 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [0,1,0,1,0,0|2,0,0]=4 1182 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [0,1,0,1,0,0|2,0,0]=4 1183 B11R2.36 c1cc2c(cc1Cl)ncs2 AB04988 [0,1,0,1,0,0|2,0,0]=4 1184 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [0,1,0,1,0,0|2,0,0]=4 1185 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [0,1,0,1,0,0|2,0,0]=4 1186 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [0,1,0,1,0,0|2,0,0]=4 1187 B11R2.36 c1cc2c(cc1F)ncs2 AB26031 [0,1,0,1,0,0|2,0,0]=4 1188 B11R2.36 c1cc2c(cc1F)scn2 AB26019 [0,1,0,1,0,0|2,0,0]=4 1189 B11R2.36 c1cc2c(cc1I)ncs2 AB26029 [0,1,0,1,0,0|2,0,0]=4 1190 B11R2.36 c1cc2c(cc1I)scn2 AB26022 [0,1,0,1,0,0|2,0,0]=4 1191 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [0,1,0,1,0,0|2,0,0]=4 1192 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [0,1,0,1,0,0|2,0,0]=4 1193 B11R2.36 c1cc2c(cc1N)ncs2 AB19860 [0,1,0,1,0,0|2,0,0]=4 1194 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,1,0,1,0,0|1,0,0]=3 1195 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [0,1,0,1,0,0|1,0,0]=3 1196 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,1,0,1,0,0|1,0,0]=3 1197 B11R2.36 c1cc2c(cco2)cc1F AB43937 [0,1,0,1,0,0|1,0,0]=3 1198 B11R2.36 c1cc2c(cco2)cc1N AB20798 [0,1,0,1,0,0|1,0,0]=3 1199 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,1,0,1,0,0|0,0,0]=2 1200 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [0,1,0,1,0,0|1,0,0]=3 1201 B11R2.36 c1cc2cnoc2cc1Br AB25994 [0,1,0,1,0,0|2,0,0]=4 1202 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [0,1,0,1,0,0|2,0,0]=4 1203 B11R2.36 c1cc2cnoc2cc1N AB26008 [0,1,0,1,0,0|2,0,0]=4 1204 B11R2.36 c1cc2cnsc2cc1Br MB19419 [0,1,0,1,0,0|2,0,0]=4 1205 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [0,1,0,1,0,0|2,0,0]=4 1206 B11R2.36 c1cc2conc2cc1Br MB19398 [0,1,0,1,0,0|2,0,0]=4 1207 B11R2.36 c1cc2conc2cc1Cl MB19396 [0,1,0,1,0,0|2,0,0]=4 1208 B11R2.36 c1cc2nccn2cc1Br PB20174 [0,1,0,1,0,0|2,0,0]=4 1209 B11R2.36 c1cc2nccn2cc1Cl AB21919 [0,1,0,1,0,0|2,0,0]=4 1210 B11R2.36 c1cc2nccn2cc1N PB12399 [0,1,0,1,0,0|2,0,0]=4 1211 B11R2.36 c1cc2nccn2cc1O AB28902 [0,1,0,1,0,0|1,0,0]=3 1212 B11R2.36 c1cn2ccnc2cc1Br PB30948 [0,1,0,1,0,0|2,0,0]=4 1213 B11R2.36 c1cn2ccnc2cc1Cl PB34290 [0,1,0,1,0,0|2,0,0]=4 1214 B11R2.36 c1cn2ccnc2cc1N PB20545 [0,1,0,1,0,0|2,0,0]=4 1215 B11R2.36 c1cnn2c1cc(cc2)Br PB11898 [0,1,0,1,0,0|2,0,0]=4 1216 B11R2.36 c1cnn2c1cc(cc2)O AB44250 [0,1,0,1,0,0|1,0,0]=3 1217 B11R2.36 c1cnn2c1nc(cc2)O AB16973 [0,1,0,1,0,0|2,0,0]=4 1218 B11R2.36 c1coc2c1cc(cn2)N PB28491 [0,1,0,1,0,0|2,0,0]=4 1219 B11R2.36 c1csc2c1cc(cn2)N PB15184 [0,1,0,1,0,0|2,0,0]=4 1220 B11R2.36 c1csc2c1cc(nc2)Cl PB13799 [0,1,0,1,0,0|2,0,0]=4 1221 B7R1.1 c1cscc1C=O PB14065 [1,0,0,0,1,0|2,0,0]=4