0 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.176 COc1cc(c(nc1)Cl)N AB62900 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.176 COc1cc(c(nc1)Cl)O AB71170 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.176 COc1cc(c(nc1)N)Cl AB70867 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.176 COc1ccc(c(n1)Br)N AB21737 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.176 COc1ccc(c(n1)Cl)N AB49773 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.176 COc1ccc(c(n1)Cl)O AB69288 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.176 COc1ccc(c(n1)N)Br AB43426 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.176 COc1ccc(c(n1)N)Cl AB62898 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.176 COc1ccc(c(n1)N)N AB25773 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.176 COc1ccc(c(n1)O)Cl AB75736 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.176 CSc1nc(c(nn1)Cl)N AB72435 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.176 Cc1c(cc(cn1)C=O)Cl AB74641 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.176 Cc1c(cc(cn1)C=O)F AB62781 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.176 Cc1c(cc(cn1)CCl)Cl AB74647 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.176 Cc1c(cc(cn1)CCl)F AB76305 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.176 Cc1c(cc(cn1)CN)Cl AB74649 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.176 Cc1c(cc(cn1)CN)F AB76308 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.176 Cc1c(cc(cn1)OC)N AB73554 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.176 Cc1c(ccc(n1)C#N)N AB43410 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.176 Cc1c(ccc(n1)CCl)Cl AB83321 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.176 Cc1c(ccc(n1)CCl)F AB83035 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.176 Cc1c(ccc(n1)CN)Cl AB75079 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.176 Cc1c(ccc(n1)CN)F AB75158 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.176 Cc1c(ccc(n1)OC)Br AB13393 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.176 Cc1c(nc(cn1)C=O)C AB77048 [0,0,0,0,0,0|1,0,1]=2 39 B10R1.176 Cc1c(nc(cn1)CCl)C AB76287 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.176 Cc1c(nc(cn1)CN)C AB77049 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.176 Cc1c(ncc(n1)C#N)Br AB72509 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.176 Cc1c(ncc(n1)C#N)Cl AB72508 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.176 Cc1c(ncc(n1)CCl)Cl AB72511 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.176 Cc1c(ncc(n1)CN)Cl AB72510 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.176 Cc1c(ncc(n1)OC)Br AB85658 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.176 Cc1c(ncc(n1)OC)Cl AB85661 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.176 Cc1cc(ccc1O)CN MB05062 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.176 Cc1cc(ccc1O)NC MB07546 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.176 Cc1cc(cnc1C)CCl AB75391 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.176 Cc1cc(cnc1C)CN AB70585 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.176 Cc1cc(cnc1C)OC AB85300 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.176 Cc1cc(cnc1Cl)C#N AB50049 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.176 Cc1cc(cnc1Cl)CCl AB50053 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.176 Cc1cc(cnc1F)CCl AB64242 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.176 Cc1cc(cnc1F)CN AB83087 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.176 Cc1cc(cnc1N)C#N AB25364 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.176 Cc1cc(cnc1N)OC AB73557 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.176 Cc1cc(ncc1C)CCl AB64952 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.176 Cc1cc(ncc1C)CN AB65468 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.176 Cc1ccc(cc1O)NC MB25401 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.176 Cc1ccc(cc1O)OC MB11905 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.176 Cc1ccc(cc1O)SC MB25438 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [0,0,0,0,0,0|2,0,1]=3 72 B10R1.176 Cc1ccc(nc1C)CCl AB64955 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.176 Cc1ccc(nc1C)CN AB65463 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.176 Cc1ccc(nc1Cl)C=O AB75097 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.176 Cc1ccc(nc1Cl)CCl AB75101 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.176 Cc1ccc(nc1Cl)CN AB75099 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.176 Cc1ccc(nc1F)C=O AB72847 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.176 Cc1ccc(nc1F)CCl AB72849 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.176 Cc1ccc(nc1F)CN AB72850 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.176 Cc1ccc(nc1N)OC AB73563 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.176 Cc1cnc(nc1Cl)CN AB62662 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.176 c1c(cnc(c1Cl)F)CCl AB70972 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.176 c1c(cnc(c1Cl)F)CN AB75050 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.176 c1c(cnc(c1Cl)N)CN AB83951 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.176 c1c(cnc(c1F)Br)CCl AB70984 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.176 c1c(cnc(c1F)Br)CN AB76972 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.176 c1c(cnc(c1F)Cl)CCl AB70665 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.176 c1c(cnc(c1F)Cl)CN AB74576 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.176 c1c(cnc(c1O)Cl)CCl AB84103 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.176 c1c(cnc(c1O)Cl)CN AB84104 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.176 c1cc(c(nc1CCl)Cl)F AB70988 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.176 c1cc(c(nc1CCl)Cl)O AB76573 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.176 c1cc(c(nc1CCl)F)Cl AB70993 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.176 c1cc(c(nc1CCl)O)Cl AB71004 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.176 c1cc(c(nc1CN)Cl)F AB75033 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.176 c1cc(c(nc1CN)F)Cl AB72853 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.176 c1cc(c(nc1CN)F)F AB72858 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.176 c1cc(c(nc1CN)O)Cl AB84086 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.1 C#Cc1cnc(cn1)Br AB63400 [1,0,0,0,0,0|1,0,2]=4 103 B9R1.1 C#Cc1cnc(cn1)Cl AB69152 [1,0,0,0,0,0|1,0,2]=4 104 B9R1.1 C#Cc1cnc(cn1)F AB85723 [1,0,0,0,0,0|1,0,2]=4 105 B9R1.1 CCc1ccc(cn1)N AB63590 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.1 CCc1ccc(cn1)O MB03842 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 CCc1cnc(cn1)Br AB64001 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.1 CCc1cnc(cn1)Cl AB73111 [1,0,0,0,0,0|1,0,0]=2 110 B9R1.1 CCc1cnc(cn1)N AB60527 [1,0,0,0,0,0|1,0,0]=2 111 B9R1.1 CCc1cnc(nc1)Cl PB27514 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 CCc1cnc(nc1)N AB51220 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 CCc1ncc(cn1)N PB12017 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 CNc1ccc(cn1)O AB69733 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.1 CNc1cnc(cn1)Br MB08140 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.1 COc1ccc(cn1)Br AB08771 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 COc1ccc(cn1)F AB13611 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 COc1ccc(cn1)N PB27370 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 COc1ccc(cn1)O CB10969 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 COc1ccc(nc1)Br PB22062 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 COc1ccc(nc1)F AB66773 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 COc1ccc(nc1)I AB11726 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 COc1ccc(nc1)N PB14487 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 COc1cnc(cn1)Br PB10528 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.1 COc1cnc(cn1)Cl PB22219 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.1 COc1cnc(cn1)I AB75719 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.1 COc1cnc(cn1)N PB26534 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 CSc1ccc(cn1)O MB25590 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 CSc1cnc(cn1)Br MB07628 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.1 CSc1cnc(cn1)N AB43836 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.1 Cc1ccc(cn1)C#N PB30561 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.1 Cc1ccc(cn1)C=C PB17233 [1,0,0,0,0,0|1,0,2]=4 141 B9R1.1 Cc1ccc(cn1)C=O PB17503 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.1 Cc1ccc(cn1)NN PB15841 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.1 Cc1ccc(nc1)C=O AB31466 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.1 Cc1ccc(nn1)CN PB19500 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 Cc1ccc(nn1)CO AB44109 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 Cc1ccc(nn1)OC AB51434 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 Cc1cnc(cn1)C#N AB20698 [1,0,0,0,0,0|1,0,1]=3 153 B9R1.1 Cc1cnc(cn1)C=O PB23818 [1,0,0,0,0,0|1,0,1]=3 154 B9R1.1 Cc1cnc(cn1)CCl PB10823 [1,0,0,0,0,0|1,0,0]=2 155 B9R1.1 Cc1cnc(cn1)CN PB33936 [1,0,0,0,0,0|1,0,0]=2 156 B9R1.1 Cc1cnc(nc1)CCl PB19771 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 Cc1cnc(nc1)CCl PB31488 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 Cc1cnc(nc1)CN PB22419 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.1 Cc1cnc(nc1)CO PB23808 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.1 Cc1ncc(cn1)CCl PB22329 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.1 Cc1ncc(cn1)CN PB14812 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.1 Cc1ncc(cn1)CO PB17615 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.1 c1c(ncc(n1)Br)C#N PB17693 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.1 c1c(ncc(n1)Cl)C#N PB18987 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.1 c1c(ncc(n1)Cl)CCl AB60493 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.1 c1c(ncc(n1)Cl)NN PB28798 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.1 c1c(ncc(n1)I)C#N AB70240 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.1 c1c(ncc(n1)N)C#N PB22136 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.1 c1cc(ncc1Br)CCl AB60010 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.1 c1cc(ncc1Br)CN AB23456 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.1 c1cc(ncc1Br)CO AB66533 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 c1cc(ncc1Br)CO PB18645 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 c1cc(ncc1CBr)F PB28287 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 c1cc(ncc1CN)Br AB27793 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.1 c1cc(ncc1CN)Cl PB17175 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.1 c1cc(ncc1CN)F PB19133 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.1 c1cc(ncc1CO)Br PB14409 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 c1cc(ncc1CO)Cl PB17199 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.1 c1cc(ncc1CO)F PB14327 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 c1cc(ncc1CO)N PB26211 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.1 c1cc(ncc1F)CCl AB62501 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.1 c1cc(ncc1F)CN AB60189 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.1 c1cc(ncc1F)CO PB22210 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.1 c1cc(ncc1N)CN AB23447 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.1 c1cc(ncc1N)CO AB31872 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.1 c1cc(ncc1O)CN MB14856 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.2 C#Cc1cncc(n1)Cl AB69154 [1,0,0,0,0,0|1,0,2]=4 200 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.2 CCc1cc(cnc1)O MB12329 [1,0,0,0,0,0|2,0,0]=3 202 B9R1.2 CCc1cccc(n1)Br MB10338 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.2 CCc1nccc(n1)Cl AB51249 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.2 CNc1cc(cnc1)O MB32689 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.2 CNc1cccc(n1)Br AB50070 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.2 CNc1cncc(n1)Cl MB07975 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.2 COc1cc(cnc1)Br PB24634 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.2 COc1cc(cnc1)F AB66777 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.2 COc1cc(cnc1)I AB43793 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.2 COc1cc(cnc1)N PB12653 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.2 COc1cc(cnc1)N PB25488 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.2 COc1cc(cnc1)O AB29711 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.2 COc1cccc(n1)Cl AB00671 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.2 COc1cccc(n1)F AB55818 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.2 COc1cccc(n1)I AB31101 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.2 COc1cccc(n1)N AB21183 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.2 COc1cccc(n1)O AB31854 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.2 COc1cncc(n1)Cl PB29367 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.2 COc1cncc(n1)N AB54770 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.2 COc1cnnc(n1)Cl AB71503 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.2 CSc1cc(cnc1)O MB28894 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.2 CSc1cccc(n1)Br MB07302 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.2 CSc1cnnc(n1)Cl AB71510 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,0,0,0,0,0|2,0,1]=4 229 B9R1.2 Cc1cc(cnc1)CCl AB55820 [1,0,0,0,0,0|2,0,0]=3 230 B9R1.2 Cc1cc(cnc1)CN AB23459 [1,0,0,0,0,0|2,0,0]=3 231 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,0,0,0,0,0|2,0,0]=3 233 B9R1.2 Cc1cc(nnc1)CN PB37868 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.2 Cc1cccc(n1)C#N AB04512 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.2 Cc1cccc(n1)C=O AB00683 [1,0,0,0,0,0|2,0,1]=4 236 B9R1.2 Cc1cccc(n1)CCl AB49651 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.2 Cc1cccc(n1)CN AB22796 [1,0,0,0,0,0|2,0,0]=3 238 B9R1.2 Cc1cccc(n1)NC AB60602 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.2 Cc1ccnc(n1)CCl PB25297 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.2 Cc1ccnc(n1)CN PB16292 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.2 Cc1ccnc(n1)CO PB24151 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.2 Cc1cncc(n1)C=O AB62637 [1,0,0,0,0,0|1,0,1]=3 243 B9R1.2 Cc1cncc(n1)CCl AB60498 [1,0,0,0,0,0|1,0,0]=2 244 B9R1.2 Cc1cncc(n1)CN AB72296 [1,0,0,0,0,0|1,0,0]=2 245 B9R1.2 Cc1nccc(n1)CCl AB58939 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.2 Cc1nccc(n1)CN AB43194 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.2 c1c(cncc1Br)CCl AB60029 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.2 c1c(cncc1Br)CCl PB25120 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.2 c1c(cncc1Br)CN PB23445 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.2 c1c(cncc1Br)CO PB29242 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.2 c1c(cncc1Cl)CCl AB60038 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.2 c1c(cncc1Cl)CCl PB33259 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.2 c1c(cncc1Cl)CN AB63152 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.2 c1c(cncc1F)CCl PB35002 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.2 c1c(cncc1F)CN PB29533 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.2 c1c(cncc1F)CO PB12255 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.2 c1c(cncc1I)CCl AB45545 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.2 c1c(cncc1I)CO AB45541 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.2 c1c(cncc1N)CN AB31384 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.2 c1c(cncc1N)CO AB31625 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.2 c1c(cncc1O)CN MB28837 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [1,0,0,0,0,0|2,0,0]=3 263 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [1,0,0,0,0,0|2,0,0]=3 264 B9R1.2 c1c(nc(cn1)Cl)C#N PB26471 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.2 c1c(nc(cn1)Cl)C=O PB16295 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [1,0,0,0,0,0|2,0,0]=3 267 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [1,0,0,0,0,0|2,0,0]=3 268 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [1,0,0,0,0,0|2,0,0]=3 269 B9R1.2 c1c(nc(cn1)N)C#N PB28163 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.2 c1cc(nc(c1)F)CN AB66365 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.2 c1cc(nc(c1)I)CO AB42511 [1,0,0,0,0,0|3,0,0]=4 280 B9R1.2 c1cc(nc(c1)N)CO AB53761 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [1,0,0,0,0,0|3,0,0]=4 303 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [1,0,0,0,0,0|3,0,0]=4 304 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [1,0,0,0,0,0|3,0,0]=4 305 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [1,0,0,0,0,0|3,0,0]=4 307 B9R1.69 Cc1c(cnc(n1)C)Br AB70482 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.69 Cc1c(nc(cn1)Br)N AB85726 [1,0,0,0,0,0|2,0,0]=3 309 B9R1.69 Cc1c(nc(cn1)Cl)C AB68573 [1,0,0,0,0,0|1,0,0]=2 310 B9R1.69 Cc1c(nc(cn1)N)Br CB11882 [1,0,0,0,0,0|2,0,0]=3 311 B9R1.69 Cc1c(nc(cn1)N)C AB53106 [1,0,0,0,0,0|1,0,0]=2 312 B9R1.69 Cc1c(ncc(n1)Br)Br AB72476 [1,0,0,0,0,0|2,0,0]=3 313 B9R1.69 Cc1c(ncc(n1)Br)Cl AB72492 [1,0,0,0,0,0|2,0,0]=3 314 B9R1.69 Cc1c(ncc(n1)Br)I AB72495 [1,0,0,0,0,0|2,0,0]=3 315 B9R1.69 Cc1c(ncc(n1)Br)N AB48639 [1,0,0,0,0,0|2,0,0]=3 316 B9R1.69 Cc1c(ncc(n1)Br)O AB85718 [1,0,0,0,0,0|2,0,0]=3 317 B9R1.69 Cc1c(ncc(n1)Cl)Br AB72477 [1,0,0,0,0,0|2,0,0]=3 318 B9R1.69 Cc1c(ncc(n1)Cl)Cl AB70649 [1,0,0,0,0,0|2,0,0]=3 319 B9R1.69 Cc1c(ncc(n1)Cl)F AB85699 [1,0,0,0,0,0|2,0,0]=3 320 B9R1.69 Cc1c(ncc(n1)Cl)I AB72504 [1,0,0,0,0,0|2,0,0]=3 321 B9R1.69 Cc1c(ncc(n1)Cl)N AB54525 [1,0,0,0,0,0|2,0,0]=3 322 B9R1.69 Cc1c(ncc(n1)F)Br AB85703 [1,0,0,0,0,0|2,0,0]=3 323 B9R1.69 Cc1c(ncc(n1)F)Cl AB85700 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.69 Cc1c(ncc(n1)I)Br AB72480 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.69 Cc1c(ncc(n1)N)Br AB48621 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.69 Cc1c(nnc(n1)C)Cl AB72440 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.69 Cc1c(nnc(n1)Cl)Cl AB72423 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [1,0,0,0,0,0|2,0,0]=3 329 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [1,0,0,0,0,0|3,0,0]=4 330 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [1,0,0,0,0,0|3,0,0]=4 331 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [1,0,0,0,0,0|2,0,0]=3 332 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [1,0,0,0,0,0|2,0,0]=3 333 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [1,0,0,0,0,0|3,0,0]=4 335 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [1,0,0,0,0,0|3,0,0]=4 336 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [1,0,0,0,0,0|3,0,0]=4 337 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [1,0,0,0,0,0|3,0,0]=4 338 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [1,0,0,0,0,0|3,0,0]=4 339 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [1,0,0,0,0,0|2,0,0]=3 342 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [1,0,0,0,0,0|3,0,0]=4 343 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [1,0,0,0,0,0|3,0,0]=4 345 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [1,0,0,0,0,0|3,0,0]=4 346 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [1,0,0,0,0,0|2,0,0]=3 347 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [1,0,0,0,0,0|3,0,0]=4 348 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [1,0,0,0,0,0|3,0,0]=4 349 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [1,0,0,0,0,0|3,0,0]=4 350 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [1,0,0,0,0,0|3,0,0]=4 351 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [1,0,0,0,0,0|3,0,0]=4 352 B9R1.69 Cc1cc(cnc1Br)F AB53312 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.69 Cc1cc(cnc1Br)N AB13464 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.69 Cc1cc(cnc1Br)O AB53545 [1,0,0,0,0,0|3,0,0]=4 355 B9R1.69 Cc1cc(cnc1C)Br AB64498 [1,0,0,0,0,0|2,0,0]=3 356 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [1,0,0,0,0,0|2,0,0]=3 357 B9R1.69 Cc1cc(cnc1C)N AB42833 [1,0,0,0,0,0|2,0,0]=3 358 B9R1.69 Cc1cc(cnc1C)O AB65534 [1,0,0,0,0,0|2,0,0]=3 359 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [1,0,0,0,0,0|3,0,0]=4 360 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [1,0,0,0,0,0|3,0,0]=4 361 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [1,0,0,0,0,0|3,0,0]=4 362 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [1,0,0,0,0,0|3,0,0]=4 363 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [1,0,0,0,0,0|3,0,0]=4 364 B9R1.69 Cc1cc(cnc1F)Br AB13475 [1,0,0,0,0,0|3,0,0]=4 365 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [1,0,0,0,0,0|3,0,0]=4 366 B9R1.69 Cc1cc(cnc1F)N AB13474 [1,0,0,0,0,0|3,0,0]=4 367 B9R1.69 Cc1cc(cnc1F)O AB53562 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.69 Cc1cc(cnc1I)Br AB42361 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.69 Cc1cc(cnc1N)Br AB02787 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [1,0,0,0,0,0|3,0,0]=4 372 B9R1.69 Cc1cc(cnc1N)F AB41238 [1,0,0,0,0,0|3,0,0]=4 373 B9R1.69 Cc1cc(cnc1N)I AB10923 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.69 Cc1cc(cnc1O)Br AB15087 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [1,0,0,0,0,0|3,0,0]=4 376 B9R1.69 Cc1cc(cnc1O)F AB82901 [1,0,0,0,0,0|3,0,0]=4 377 B9R1.69 Cc1cc(cnc1O)I CB10781 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.69 Cc1cc(cnc1O)N AB41215 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.69 Cc1cc(nnc1Cl)C PB31877 [1,0,0,0,0,0|3,0,0]=4 380 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [1,0,0,0,0,0|3,0,0]=4 381 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [1,0,0,0,0,0|3,0,0]=4 382 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [1,0,0,0,0,0|2,0,0]=3 383 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [1,0,0,0,0,0|3,0,0]=4 384 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [1,0,0,0,0,0|3,0,0]=4 385 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [1,0,0,0,0,0|3,0,0]=4 386 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [1,0,0,0,0,0|3,0,0]=4 387 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [1,0,0,0,0,0|3,0,0]=4 388 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [1,0,0,0,0,0|3,0,0]=4 389 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [1,0,0,0,0,0|3,0,0]=4 390 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [1,0,0,0,0,0|3,0,0]=4 391 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [1,0,0,0,0,0|3,0,0]=4 392 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [1,0,0,0,0,0|3,0,0]=4 393 B9R1.69 Cc1ccc(nc1Br)Br AB16615 [1,0,0,0,0,0|3,0,0]=4 394 B9R1.69 Cc1ccc(nc1Br)C AB65454 [1,0,0,0,0,0|2,0,0]=3 395 B9R1.69 Cc1ccc(nc1Br)Cl AB62917 [1,0,0,0,0,0|3,0,0]=4 396 B9R1.69 Cc1ccc(nc1Br)F AB71569 [1,0,0,0,0,0|3,0,0]=4 397 B9R1.69 Cc1ccc(nc1C)Br AB64947 [1,0,0,0,0,0|2,0,0]=3 398 B9R1.69 Cc1ccc(nc1C)N AB23050 [1,0,0,0,0,0|2,0,0]=3 399 B9R1.69 Cc1ccc(nc1C)O AB54521 [1,0,0,0,0,0|2,0,0]=3 400 B9R1.69 Cc1ccc(nc1Cl)Br AB74690 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.69 Cc1ccc(nc1Cl)N AB70428 [1,0,0,0,0,0|3,0,0]=4 402 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [1,0,0,0,0,0|3,0,0]=4 403 B9R1.69 Cc1ccc(nc1F)Br AB74556 [1,0,0,0,0,0|3,0,0]=4 404 B9R1.69 Cc1ccc(nc1F)N AB83080 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.69 Cc1ccc(nc1F)O AB71306 [1,0,0,0,0,0|3,0,0]=4 406 B9R1.69 Cc1ccc(nc1N)Br AB71668 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.69 Cc1ccc(nc1N)C AB25382 [1,0,0,0,0,0|2,0,0]=3 408 B9R1.69 Cc1ccc(nc1N)Cl AB73562 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.69 Cc1ccc(nc1N)F AB82883 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.69 Cc1ccc(nc1N)N AB43423 [1,0,0,0,0,0|3,0,0]=4 411 B9R1.69 Cc1ccc(nc1O)C AB71286 [1,0,0,0,0,0|2,0,0]=3 412 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [1,0,0,0,0,0|3,0,0]=4 413 B9R1.69 Cc1ccc(nc1O)F AB82880 [1,0,0,0,0,0|3,0,0]=4 414 B9R1.69 Cc1cnc(c(n1)Br)C AB65522 [1,0,0,0,0,0|1,0,0]=2 415 B9R1.69 Cc1cnc(c(n1)Br)N CB11261 [1,0,0,0,0,0|2,0,0]=3 416 B9R1.69 Cc1cnc(c(n1)C)Br AB73101 [1,0,0,0,0,0|1,0,0]=2 417 B9R1.69 Cc1cnc(c(n1)C)Cl AB03542 [1,0,0,0,0,0|1,0,0]=2 418 B9R1.69 Cc1cnc(c(n1)C)N AB03436 [1,0,0,0,0,0|1,0,0]=2 419 B9R1.69 Cc1cnc(c(n1)Cl)C AB00609 [1,0,0,0,0,0|1,0,0]=2 420 B9R1.69 Cc1cnc(nc1Cl)C AB51539 [1,0,0,0,0,0|3,0,0]=4 421 B9R1.69 Cc1cnc(nc1N)C AB54986 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.69 Cc1cnc(nc1O)C AB21544 [1,0,0,0,0,0|3,0,0]=4 423 B9R1.69 c1c(nc(c(n1)Br)Cl)Br AB72488 [1,0,0,0,0,0|3,0,0]=4 424 B9R1.69 c1c(nc(c(n1)Br)Cl)I AB72490 [1,0,0,0,0,0|3,0,0]=4 425 B9R1.69 c1c(nc(c(n1)Br)Cl)N PB28090 [1,0,0,0,0,0|3,0,0]=4 426 B9R1.69 c1c(nc(c(n1)Br)N)Br PB11968 [1,0,0,0,0,0|3,0,0]=4 427 B9R1.69 c1c(nc(c(n1)Br)N)Cl PB25331 [1,0,0,0,0,0|3,0,0]=4 428 B9R1.69 c1c(nc(c(n1)Cl)Br)Br PB28518 [1,0,0,0,0,0|3,0,0]=4 429 B9R1.69 c1c(nc(c(n1)Cl)Cl)N AB76542 [1,0,0,0,0,0|3,0,0]=4 430 B9R1.69 c1c(nc(c(n1)Cl)N)Cl AB70503 [1,0,0,0,0,0|3,0,0]=4 431 B9R1.69 c1c(nc(c(n1)I)Cl)Cl AB69264 [1,0,0,0,0,0|3,0,0]=4 432 B9R1.69 c1c(nc(c(n1)N)Br)Br PB10167 [1,0,0,0,0,0|3,0,0]=4 433 B9R1.69 c1c(nc(c(n1)N)Br)Cl AB54749 [1,0,0,0,0,0|3,0,0]=4 434 B9R1.69 c1c(nc(c(n1)N)Cl)Br PB34579 [1,0,0,0,0,0|3,0,0]=4 435 B9R1.69 c1c(nc(c(n1)N)Cl)Cl AB62777 [1,0,0,0,0,0|3,0,0]=4 436 B9R1.69 c1c(nc(c(n1)N)Cl)I PB36564 [1,0,0,0,0,0|3,0,0]=4 437 B9R1.69 c1c(nc(c(n1)N)N)Br PB20156 [1,0,0,0,0,0|3,0,0]=4 438 B9R1.69 c1c(nc(c(n1)N)N)Cl AB71823 [1,0,0,0,0,0|3,0,0]=4 439 B11R1.14 Cc1c(nc(nc1C)CN)C AB59231 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.14 Cc1c(nc(nc1Cl)CN)C AB59213 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.14 Cc1cc(nc(c1C)C)C=O AB82591 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.14 Cc1cc(nc(c1C)C)CCl AB82595 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.14 Cc1cc(nc(c1C)C)CN AB82598 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.21 B(c1cc(c(nc1)C)C)(O)O AB64513 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.21 CC(C)c1ccc(c(n1)Cl)N AB73366 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.21 CC(C)c1ccc(c(n1)F)F AB73369 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.21 CC(C)c1ccc(c(n1)N)N AB73420 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [0,1,0,0,0,0|2,0,1]=4 449 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.21 Cc1c(ccc(n1)C(=O)C)Cl AB83319 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.21 Cc1c(ccc(n1)C(=O)C)F AB75156 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.21 Cc1c(nc(cn1)C(=O)C)C AB21776 [0,1,0,0,0,0|0,0,1]=2 453 B11R1.21 Cc1c(nc(cn1)C(=O)O)C AB13799 [0,1,0,0,0,0|1,0,1]=3 454 B11R1.21 Cc1c(ncc(n1)C(=O)O)Cl AB71835 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.21 Cc1c(ncc(n1)C(=O)O)F AB85697 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.21 Cc1c(ncc(n1)N(C)C)Br AB71559 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [0,1,0,0,0,0|1,0,1]=3 459 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.21 Cc1cc(cnc1C)[N+](=O)[O-] AB70689 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.21 Cc1cc(cnc1Cl)C(=O)C AB75129 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.21 Cc1cc(cnc1F)C(=O)C AB75174 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.21 Cc1ccc(cc1O)C(C)C MB00118 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [0,1,0,0,0,0|1,0,1]=3 465 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.192 Cc1c(cc(cn1)CCN)Cl AB83313 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.192 Cc1c(cc(cn1)CCN)F AB83027 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.192 Cc1c(ccc(n1)CCN)Cl AB83323 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.192 Cc1c(ccc(n1)CCN)F AB55176 [0,1,0,0,0,0|2,0,0]=3 472 B11R1.192 Cc1cc(cnc1C)CCN AB82569 [0,1,0,0,0,0|1,0,0]=2 473 B11R1.192 Cc1cc(cnc1Cl)CCN AB83362 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.192 Cc1cc(cnc1F)CCN AB55181 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.192 Cc1cc(ncc1C)CCN AB65480 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.192 Cc1ccc(nc1C)CCN AB65477 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.192 Cc1ccc(nc1Cl)CCN AB83357 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.192 Cc1ccc(nc1F)CCN AB83081 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.192 Cc1cnc(nc1Cl)CCN AB63272 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.192 c1c(cnc(c1Cl)F)CCN AB83170 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.192 c1c(cnc(c1F)Cl)CCN AB83221 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.192 c1c(cnc(c1O)Cl)CCN AB84106 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.192 c1cc(c(nc1CCN)Cl)F AB83216 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.192 c1cc(c(nc1CCN)F)Cl AB83176 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.192 c1cc(c(nc1CCN)O)Cl AB84087 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.277 Cc1c(nc(c(n1)C#N)N)C AB53112 [0,1,0,0,0,0|1,0,1]=3 489 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [0,1,0,0,0,0|3,0,0]=4 490 B11R1.279 CCc1ccc(c(c1)O)CN MB23834 [0,1,0,0,0,0|3,0,0]=4 491 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.279 CCc1ccc(c(n1)N)CCl AB85275 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.279 CCc1ccc(c(n1)O)C#N AB53118 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.279 COc1c(cc(cn1)CCl)F AB71009 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.279 COc1c(cc(cn1)CN)Cl AB70281 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.279 COc1c(cc(cn1)CN)F AB74581 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.279 COc1ccc(c(n1)Cl)CN AB68189 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.279 COc1cnc(c(n1)Cl)C=O AB60389 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.279 Cc1c(ccc(n1)C#N)CCl AB74113 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.279 Cc1c(ncc(n1)OC)C#N AB85677 [0,1,0,0,0,0|1,0,1]=3 503 B11R1.279 Cc1c(ncc(n1)OC)C=O AB85667 [0,1,0,0,0,0|1,0,1]=3 504 B11R1.279 Cc1c(ncc(n1)OC)CCl AB85673 [0,1,0,0,0,0|1,0,0]=2 505 B11R1.279 Cc1c(ncc(n1)OC)CN AB85675 [0,1,0,0,0,0|1,0,0]=2 506 B11R1.279 Cc1cc(cnc1OC)C#N AB65209 [0,1,0,0,0,0|2,0,1]=4 507 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [0,1,0,0,0,0|2,0,1]=4 508 B11R1.280 CCc1c(ccc(n1)OC)Br AB68537 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.280 CCc1ccc(c(c1)CN)O MB23892 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.280 COc1c(ccc(n1)CCl)F AB71011 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.280 COc1c(ccc(n1)CN)F AB75154 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.280 COc1cc(c(nc1)Br)OC AB74694 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.280 COc1cc(c(nc1)N)OC AB49203 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.280 COc1cc(cnc1Cl)CN AB73142 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.280 COc1ccc(c(n1)OC)Br AB46106 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.280 Cc1c(cc(cn1)C#N)CCl AB74114 [0,1,0,0,0,0|2,0,1]=4 520 B9R1.23 CCn1cc(c(n1)C)N PB30766 [0,0,0,0,1,0|2,0,0]=3 521 B9R1.23 Cc1c(oc(n1)NC)C AB65970 [0,0,0,0,1,0|2,0,0]=3 522 B9R1.23 Cc1c(sc(n1)C#N)C PB23016 [0,0,0,0,1,0|2,0,1]=4 523 B9R1.23 Cc1cc(nn1C)CCl PB14522 [0,0,0,0,1,0|2,0,0]=3 524 B9R1.23 Cc1cc(nn1C)CN PB29261 [0,0,0,0,1,0|2,0,0]=3 525 B9R1.23 Cc1cc(nn1C)CO PB29273 [0,0,0,0,1,0|2,0,0]=3 526 B9R1.23 Cc1cc(sc1C)CN AB72614 [0,0,0,0,1,0|2,0,0]=3 527 B9R1.23 Cc1nc(nn1C)C=O AB76716 [0,0,0,0,1,0|2,0,1]=4 528 B9R1.132 Cc1nnc(n1C)CCl AB75827 [0,0,0,0,1,0|3,0,0]=4 529 B9R1.132 Cc1nnc(n1C)CN AB65392 [0,0,0,0,1,0|3,0,0]=4 530 B9R1.132 Cn1c(cnc1Br)CN AB56941 [0,0,0,0,1,0|3,0,0]=4 531 B9R1.132 Cn1c(cnc1Br)CO AB39257 [0,0,0,0,1,0|3,0,0]=4 532 B9R1.132 Cn1c(cnc1Cl)CN AB56939 [0,0,0,0,1,0|3,0,0]=4 533 B9R1.132 Cn1c(cnc1N)CO AB27795 [0,0,0,0,1,0|3,0,0]=4 534 B9R1.132 Cn1c(cnc1S)CO AB04871 [0,0,0,0,1,0|3,0,0]=4 535 B8R1.2 C#Cc1cnccn1 PB18058 [2,0,0,0,0,0|0,0,2]=4 536 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 537 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 538 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|2,0,0]=4 540 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 541 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 542 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|2,0,0]=4 543 B8R1.2 c1cnc(cn1)C#N AB02102 [2,0,0,0,0,0|1,0,1]=4 544 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|1,0,1]=4 545 B8R1.2 c1cnc(cn1)CCl PB20483 [2,0,0,0,0,0|1,0,0]=3 546 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|1,0,0]=3 547 B8R1.2 c1cnc(cn1)CO PB21779 [2,0,0,0,0,0|1,0,0]=3 548 B8R1.2 c1cnc(cn1)NN PB12798 [2,0,0,0,0,0|2,0,0]=4 549 B8R1.3 Cc1ccc(cn1)Br AB06624 [2,0,0,0,0,0|2,0,0]=4 550 B8R1.3 Cc1ccc(cn1)Cl AB17956 [2,0,0,0,0,0|2,0,0]=4 551 B8R1.3 Cc1ccc(cn1)F PB18589 [2,0,0,0,0,0|2,0,0]=4 552 B8R1.3 Cc1ccc(cn1)N PB32227 [2,0,0,0,0,0|2,0,0]=4 553 B8R1.3 Cc1ccc(cn1)O PB30543 [2,0,0,0,0,0|2,0,0]=4 554 B8R1.3 Cc1ccc(nc1)Br PB17145 [2,0,0,0,0,0|2,0,0]=4 555 B8R1.3 Cc1ccc(nc1)Cl AB07104 [2,0,0,0,0,0|2,0,0]=4 556 B8R1.3 Cc1ccc(nc1)F AB01857 [2,0,0,0,0,0|2,0,0]=4 557 B8R1.3 Cc1ccc(nc1)N AB17938 [2,0,0,0,0,0|2,0,0]=4 558 B8R1.3 Cc1ccc(nc1)O AB13138 [2,0,0,0,0,0|2,0,0]=4 559 B8R1.3 Cc1cnc(cn1)Br PB27954 [2,0,0,0,0,0|1,0,0]=3 560 B8R1.3 Cc1cnc(cn1)Cl AB02272 [2,0,0,0,0,0|1,0,0]=3 561 B8R1.3 Cc1cnc(cn1)N PB32613 [2,0,0,0,0,0|1,0,0]=3 562 B8R1.3 c1c(ncc(n1)Br)Br PB17488 [2,0,0,0,0,0|2,0,0]=4 563 B8R1.3 c1c(ncc(n1)Br)Cl PB26374 [2,0,0,0,0,0|2,0,0]=4 564 B8R1.3 c1c(ncc(n1)Br)F MB14114 [2,0,0,0,0,0|2,0,0]=4 565 B8R1.3 c1c(ncc(n1)Br)N PB26019 [2,0,0,0,0,0|2,0,0]=4 566 B8R1.3 c1c(ncc(n1)Br)O PB26179 [2,0,0,0,0,0|2,0,0]=4 567 B8R1.3 c1c(ncc(n1)Cl)Cl PB21866 [2,0,0,0,0,0|2,0,0]=4 568 B8R1.3 c1c(ncc(n1)Cl)F AB50800 [2,0,0,0,0,0|2,0,0]=4 569 B8R1.3 c1c(ncc(n1)Cl)N PB14352 [2,0,0,0,0,0|2,0,0]=4 570 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [2,0,0,0,0,0|2,0,0]=4 571 B8R1.3 c1c(ncc(n1)F)F AB85705 [2,0,0,0,0,0|2,0,0]=4 572 B8R1.3 c1c(ncc(n1)I)Br PB27853 [2,0,0,0,0,0|2,0,0]=4 573 B8R1.3 c1c(ncc(n1)I)Cl AB54777 [2,0,0,0,0,0|2,0,0]=4 574 B8R1.3 c1c(ncc(n1)N)N AB53076 [2,0,0,0,0,0|2,0,0]=4 575 B8R1.3 c1c(ncc(n1)O)O AB44015 [2,0,0,0,0,0|2,0,0]=4 576 B8R1.4 Cc1cc(cnc1)Br AB09597 [2,0,0,0,0,0|2,0,0]=4 577 B8R1.4 Cc1cc(cnc1)Cl AB17994 [2,0,0,0,0,0|2,0,0]=4 578 B8R1.4 Cc1cc(cnc1)F AB13643 [2,0,0,0,0,0|2,0,0]=4 579 B8R1.4 Cc1cc(cnc1)N AB17573 [2,0,0,0,0,0|2,0,0]=4 580 B8R1.4 Cc1cc(cnc1)O MB01362 [2,0,0,0,0,0|2,0,0]=4 581 B8R1.4 Cc1cccc(n1)Br AB01812 [2,0,0,0,0,0|2,0,0]=4 582 B8R1.4 Cc1cccc(n1)Cl AB00666 [2,0,0,0,0,0|2,0,0]=4 583 B8R1.4 Cc1cccc(n1)F AB01860 [2,0,0,0,0,0|2,0,0]=4 584 B8R1.4 Cc1cccc(n1)N AB00717 [2,0,0,0,0,0|2,0,0]=4 585 B8R1.4 Cc1cccc(n1)O AB00679 [2,0,0,0,0,0|2,0,0]=4 586 B8R1.4 Cc1cccc(n1)S AB25230 [2,0,0,0,0,0|2,0,0]=4 587 B8R1.4 Cc1cncc(n1)Br AB48617 [2,0,0,0,0,0|1,0,0]=3 588 B8R1.4 Cc1cncc(n1)Cl AB02267 [2,0,0,0,0,0|1,0,0]=3 589 B8R1.4 Cc1cncc(n1)N AB43812 [2,0,0,0,0,0|1,0,0]=3 590 B8R1.4 Cc1cnnc(n1)Cl AB85248 [2,0,0,0,0,0|2,0,0]=4 591 B8R1.4 Cc1nc(cnn1)Cl AB66817 [2,0,0,0,0,0|2,0,0]=4 592 B8R1.4 c1c(nc(cn1)Br)Br AB52791 [2,0,0,0,0,0|2,0,0]=4 593 B8R1.4 c1c(nc(cn1)Br)Cl AB48957 [2,0,0,0,0,0|2,0,0]=4 594 B8R1.4 c1c(nc(cn1)Br)F MB14129 [2,0,0,0,0,0|2,0,0]=4 595 B8R1.4 c1c(nc(cn1)Br)N AB60541 [2,0,0,0,0,0|2,0,0]=4 596 B8R1.4 c1c(nc(cn1)Cl)Cl PB14072 [2,0,0,0,0,0|2,0,0]=4 597 B8R1.4 c1c(nc(cn1)Cl)F MB14158 [2,0,0,0,0,0|2,0,0]=4 598 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [2,0,0,0,0,0|2,0,0]=4 599 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [2,0,0,0,0,0|2,0,0]=4 600 B8R1.5 Cc1c(cccn1)Br PB27472 [2,0,0,0,0,0|2,0,0]=4 601 B8R1.5 Cc1c(cccn1)Cl AB17903 [2,0,0,0,0,0|2,0,0]=4 602 B8R1.5 Cc1c(cccn1)F AB48604 [2,0,0,0,0,0|2,0,0]=4 603 B8R1.5 Cc1c(cccn1)N PB33695 [2,0,0,0,0,0|2,0,0]=4 604 B8R1.5 Cc1c(cccn1)O PB18442 [2,0,0,0,0,0|2,0,0]=4 605 B8R1.5 Cc1c(nccn1)Br PB10597 [2,0,0,0,0,0|1,0,0]=3 606 B8R1.5 Cc1c(nccn1)Cl PB18413 [2,0,0,0,0,0|1,0,0]=3 607 B8R1.5 Cc1c(nccn1)I PB26409 [2,0,0,0,0,0|1,0,0]=3 608 B8R1.5 Cc1c(nccn1)N PB32667 [2,0,0,0,0,0|1,0,0]=3 609 B8R1.5 Cc1c(nccn1)O PB12942 [2,0,0,0,0,0|1,0,0]=3 610 B8R1.5 Cc1cccnc1Br AB05448 [2,0,0,0,0,0|2,0,0]=4 611 B8R1.5 Cc1cccnc1Cl AB05179 [2,0,0,0,0,0|2,0,0]=4 612 B8R1.5 Cc1cccnc1N AB17908 [2,0,0,0,0,0|2,0,0]=4 613 B8R1.5 Cc1cccnc1O AB03538 [2,0,0,0,0,0|2,0,0]=4 614 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [2,0,0,0,0,0|2,0,0]=4 615 B8R1.5 c1cnc(c(n1)N)Br MB08183 [2,0,0,0,0,0|2,0,0]=4 616 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [2,0,0,0,0,0|2,0,0]=4 617 B8R1.5 c1cnc(c(n1)N)N PB10452 [2,0,0,0,0,0|2,0,0]=4 618 B10R1.1 CCNc1ccc(cn1)Br AB51199 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.1 CCOc1cnc(cn1)Br AB51350 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.1 CNCc1ccc(cn1)Br AB49704 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.1 CNCc1ccc(cn1)F AB67668 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.1 CNCc1ccc(cn1)N AB67748 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.1 CNCc1ccc(nc1)Br AB67269 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.1 Cc1ccc(cn1)CNC AB63786 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.1 Cc1ccc(nc1)CCN AB31467 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.1 Cc1ccc(nc1)CNC AB67504 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.1 Cc1cnc(cn1)CCN AB69468 [1,1,0,0,0,0|0,0,0]=2 633 B10R1.1 Cc1cnc(nc1)CCN AB59260 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.1 Cc1ncc(cn1)CCN AB59372 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.1 c1c(ncc(n1)Cl)CCBr AB69919 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.1 c1c(ncc(n1)N)CC#N AB65850 [1,1,0,0,0,0|1,0,1]=4 638 B10R1.1 c1cc(ncc1Br)CCN PB20258 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.1 c1cc(ncc1F)CCN AB45484 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.1 c1cc(ncc1N)CCN AB67762 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.1 c1cc(ncc1O)CCN AB67805 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.3 CCc1ccc(nc1)CCl AB60001 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.3 CCc1cnc(nc1)CN AB58975 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.3 CNc1ccc(nc1)OC AB60608 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.3 COc1ccc(cn1)CCl AB59942 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.3 COc1ccc(cn1)CCl AB59945 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.3 COc1ccc(cn1)CN PB34107 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.3 COc1ccc(cn1)CO PB17339 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.3 COc1ccc(nc1)CCl AB59864 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.3 COc1ccc(nc1)CCl PB31547 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.3 COc1ccc(nc1)CN AB59858 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.3 COc1ccc(nc1)CO PB32580 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.3 COc1cnc(cn1)C#N AB60470 [1,1,0,0,0,0|1,0,1]=4 661 B10R1.3 COc1cnc(cn1)C=O AB60467 [1,1,0,0,0,0|1,0,1]=4 662 B10R1.3 COc1cnc(cn1)CCl AB69883 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.3 COc1cnc(cn1)CN AB69881 [1,1,0,0,0,0|1,0,0]=3 664 B10R1.3 c1cc(ncc1CO)CN AB63417 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.3 c1cc(ncc1CO)CO AB14995 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.13 B(c1cnc(cn1)C)(O)O AB54260 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.13 CC(C)c1cnc(cn1)Br AB64004 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.13 CC(C)c1cnc(cn1)Cl AB70173 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.13 CN(C)c1cnc(cn1)Br AB54253 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,1,0,0,0,0|1,0,1]=4 681 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.13 Cc1ccc(cn1)C(F)F AB76728 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [1,1,0,0,0,0|0,0,1]=3 685 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [1,1,0,0,0,0|1,0,1]=4 687 B10R1.13 Cc1cnc(nc1)C(C)N AB59472 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.25 CCc1ccc(nc1N)C AB03677 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.25 Cc1c(ncc(n1)Br)OC AB85717 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.25 Cc1c(ncc(n1)Cl)CCl AB76483 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.25 Cc1c(ncc(n1)Cl)CN AB85686 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.25 Cc1cc(c(cn1)CCl)Cl AB83327 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.25 Cc1cc(c(cn1)CCl)F AB83045 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 Cc1cc(c(cn1)CN)Br AB68171 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.25 Cc1cc(c(cn1)CN)Cl AB68154 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.25 Cc1cc(c(cn1)CN)F AB83048 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.25 Cc1cc(c(nc1)CCl)Cl AB75094 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.25 Cc1cc(c(nc1)CCl)F AB76356 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.25 Cc1cc(ncc1CCl)C AB75393 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.25 Cc1cc(ncc1CN)C AB62611 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.25 Cc1ccc(c(n1)Br)CN AB68158 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.25 Cc1ccc(c(n1)Cl)CN AB23323 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.25 Cc1ccc(c(n1)N)CCl AB76121 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [1,1,0,0,0,0|1,0,1]=4 713 B10R1.25 Cc1cnc(c(n1)C)CN AB73102 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.25 Cc1cnc(c(n1)Cl)C#N AB60457 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.25 c1c(nc(c(n1)CCl)N)Cl AB85693 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.2 Cc1cncc(c1C)CCl AB75396 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.2 Cc1cncc(c1C)CN AB76787 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.2 Cc1cncc(c1Cl)CCl AB83266 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.2 Cc1cncc(c1Cl)CN AB83269 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.2 Cc1cncc(c1F)CCl AB82938 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.2 Cc1cncc(c1F)CN AB82941 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.8 CCc1cc(nc(n1)C)Cl AB42755 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.8 CCc1cc(nc(n1)C)N AB54967 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.8 CCc1cc(nc(n1)C)O AB13893 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.8 Cc1cc(cc(n1)CCl)Br AB68657 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.8 Cc1cc(cc(n1)CCl)Cl AB74787 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.8 Cc1cc(cc(n1)CCl)F AB78533 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.8 Cc1cc(cc(n1)CCl)I AB78583 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.8 Cc1cc(cc(n1)CCl)O AB78458 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.8 Cc1cc(cc(n1)CN)Br AB40798 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.8 Cc1cc(cc(n1)CN)Cl AB40810 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.8 Cc1cc(cc(n1)CN)F AB80224 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.8 Cc1cc(cc(n1)CN)I AB80278 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.8 Cc1cc(cc(n1)CN)N AB80135 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.8 Cc1cc(cc(n1)CN)O AB80150 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.8 Cc1cc(cc(n1)CO)Br AB40787 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.8 Cc1cc(cc(n1)CO)Cl AB40801 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.8 Cc1cc(nc(c1)CCl)C AB64959 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.8 Cc1cc(nc(c1)CN)C AB62613 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.10 CCOc1cccc(n1)Br AB05279 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.10 CCOc1cccc(n1)N AB05302 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.10 CCOc1cncc(n1)Cl AB52638 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.10 CNCc1cc(cnc1)Br AB41067 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.10 CNCc1cc(cnc1)F AB67670 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.10 CNCc1cc(cnc1)N AB67751 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.10 CNCc1cccc(n1)Br AB48344 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.10 CNCc1cccc(n1)Cl AB67315 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.10 CNCc1cccc(n1)F AB72833 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.10 Cc1cc(cnc1)CNC AB67507 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.10 Cc1cccc(n1)CCN AB17067 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.10 Cc1cccc(n1)CNC AB01381 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.10 Cc1ccnc(n1)CCN AB59280 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.10 c1c(cncc1F)CCN AB55166 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.10 c1c(cncc1N)CCN AB67760 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.30 COc1c(ncc(n1)Br)Br AB54782 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.30 COc1c(ncc(n1)Br)Cl AB72501 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.30 COc1c(ncc(n1)Br)N AB44806 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.30 COc1c(ncc(n1)Cl)N AB64255 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.30 Cc1cc(c(nc1)Br)CCl AB71047 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.30 Cc1cc(c(nc1)Cl)CCl AB71113 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.30 Cc1cc(c(nc1)F)CCl AB71237 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.30 Cc1cc(c(nc1)N)CCl AB70870 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.30 Cc1ccc(c(n1)CN)Br AB68170 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.30 Cc1ccc(c(n1)CN)Cl AB68153 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.30 Cc1ccc(nc1CCl)C AB75390 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.30 Cc1ccc(nc1CN)C AB65466 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [1,1,0,0,0,0|1,0,1]=4 786 B10R1.30 Cc1cnc(c(n1)CCl)C AB76280 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.30 Cc1cnc(c(n1)CN)C AB77043 [1,1,0,0,0,0|1,0,0]=3 788 B10R1.30 c1c(nc(c(n1)N)CCl)Cl AB85695 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.113 B(c1cncc(n1)C)(O)O AB54283 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.113 CN(C)c1cncc(n1)Cl AB65245 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.113 Cc1ccnc(n1)C(C)N AB59470 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.172 COc1cc(cnc1)CCl AB67553 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.172 COc1cc(cnc1)CN PB36726 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.172 COc1cc(cnc1)CO PB11991 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.172 COc1cccc(n1)CCl AB59984 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.172 COc1cccc(n1)CN AB64449 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.172 COc1cccc(n1)CO AB43774 [1,1,0,0,0,0|2,0,0]=4 807 B10R1.172 COc1cncc(n1)C#C AB69157 [1,1,0,0,0,0|0,0,2]=4 808 B10R1.172 COc1cncc(n1)C#N AB60489 [1,1,0,0,0,0|1,0,1]=4 809 B10R1.172 COc1cncc(n1)C=O AB73162 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.172 COc1cncc(n1)CCl AB73154 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.172 COc1cncc(n1)CN AB73157 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.172 c1cc(nc(c1)CO)CN AB31423 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.22 Cc1cc(nc(c1C)C)Br AB82584 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.22 Cc1cc(nc(c1C)C)N AB76138 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.22 Cc1cc(nc(c1C)C)O AB82587 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.118 Cc1c(nc(c(n1)Cl)C)Cl AB44019 [1,1,0,0,0,0|1,0,0]=3 817 B10R1.118 Cc1c(nc(c(n1)N)Br)Br AB48622 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.118 Cc1c(nc(c(n1)N)Br)C AB53115 [1,1,0,0,0,0|1,0,0]=3 819 B10R1.118 Cc1c(nc(c(n1)O)C)O AB44017 [1,1,0,0,0,0|1,0,0]=3 820 B10R1.118 Cc1cc(c(nc1C)N)N AB66679 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.35 CCc1[nH]c(c(n1)CO)Cl AB27195 [0,1,0,0,1,0|1,0,1]=4 822 B10R1.35 CCc1nc(c(o1)C)CO AB63453 [0,1,0,0,1,0|1,0,0]=3 823 B10R1.35 CCc1nc(c(s1)C)CO AB63457 [0,1,0,0,1,0|1,0,0]=3 824 B10R1.94 Cc1ncc(n1C)CCN AB70527 [0,1,0,0,1,0|1,0,0]=3 825 B10R1.194 Cc1ncc(n1C)C(=O)C AB45828 [0,1,0,0,1,0|1,0,1]=4 826 B10R1.194 Cc1ncc(n1C)C(C)N AB58111 [0,1,0,0,1,0|1,0,0]=3 827 B12R1.44 Cc1c(nc(nc1C)CCN)C AB63263 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.44 Cc1c(nc(nc1Cl)CCN)C AB59335 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.44 Cc1cc(nc(c1C)C)CCN AB82600 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.1005 Cc1cc(nc(c1C)C)C(=O)C AB82594 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.232 Cc1c(nc(c(n1)C(=O)N)N)C AB53108 [0,2,0,0,0,0|1,0,1]=4 832 B12R1.232 Cc1c(nc(c(n1)C(=O)O)Cl)C AB63393 [0,2,0,0,0,0|1,0,1]=4 833 B12R1.232 Cc1c(nc(c(n1)C(=O)O)N)C AB06540 [0,2,0,0,0,0|1,0,1]=4 834 B12R1.367 CCC(=O)c1cnc(c(n1)C)C AB77034 [0,2,0,0,0,0|0,0,0]=2 835 B12R1.19 Cc1ccc(nc1C)CC(=O)O AB74109 [0,2,0,0,0,0|1,0,1]=4 836 B12R1.288 COc1c(cc(cn1)CCN)F AB76978 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.385 Cc1c(cc(cn1)CCCN)Cl AB83316 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.385 Cc1c(cc(cn1)CCCN)F AB83030 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.385 Cc1c(ccc(n1)CCCN)Cl AB83324 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.385 Cc1c(ccc(n1)CCCN)F AB83037 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.385 Cc1cc(cnc1C)CCCN AB82570 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.385 Cc1cc(cnc1Cl)CCCN AB83363 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.385 Cc1cc(cnc1F)CCCN AB83090 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.385 Cc1ccc(nc1C)CCCN AB82573 [0,2,0,0,0,0|1,0,0]=3 845 B12R1.385 Cc1ccc(nc1Cl)CCCN AB83360 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.385 Cc1ccc(nc1F)CCCN AB83084 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.78 COc1cc(c(nc1)CCl)OC AB74696 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.78 COc1cc(c(nc1)CN)OC AB74699 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.78 COc1cnc(c(n1)OC)C=O AB60453 [0,2,0,0,0,0|1,0,1]=4 850 B12R1.452 Cc1c(ncc(n1)OC)C(=O)C AB85670 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.452 Cc1c(ncc(n1)OC)C(=O)O AB85662 [0,2,0,0,0,0|1,0,1]=4 852 B10R2.32 Cn1c2c(cn1)CNC2 AB45323 [0,0,0,1,1,0|2,0,0]=4 853 B12R2.100 C1c2c(nc(c(n2)Cl)Cl)CN1 AB77520 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.44 COc1cc2c(nc1)CNC2 AB74658 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.44 COc1cc2c(nc1)NCC2 AB26242 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.44 COc1ccc2c(n1)CCN2 AB73735 [0,1,0,1,0,0|2,0,0]=4 857 B12R2.44 COc1ccc2c(n1)CNC2 AB74755 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.1 CC1=NC(=NC1)CN AB28116 [1,0,0,0,1,0|1,0,1]=4 859 B8R1.1 CCC1=NC(=NC1)N AB54794 [1,0,0,0,1,0|1,0,1]=4 860 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [1,0,0,0,1,0|1,0,1]=4 861 B8R1.1 CCc1cnc(o1)N AB64704 [1,0,0,0,1,0|2,0,0]=4 862 B8R1.1 CCc1nc(on1)Cl AB71527 [1,0,0,0,1,0|2,0,0]=4 863 B8R1.1 CCn1cc(cn1)Br AB43826 [1,0,0,0,1,0|2,0,0]=4 864 B8R1.1 CCn1cc(cn1)N PB34103 [1,0,0,0,1,0|2,0,0]=4 865 B8R1.1 Cc1[nH]c(cn1)CCl AB57911 [1,0,0,0,1,0|1,0,1]=4 866 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [1,0,0,0,1,0|1,0,1]=4 867 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [1,0,0,0,1,0|1,0,1]=4 868 B8R1.1 Cc1cc(no1)CN AB06189 [1,0,0,0,1,0|2,0,0]=4 869 B8R1.1 Cc1cc(oc1)CN PB24200 [1,0,0,0,1,0|2,0,0]=4 870 B8R1.1 Cc1cc(on1)CCl AB42093 [1,0,0,0,1,0|2,0,0]=4 871 B8R1.1 Cc1cc(on1)CN AB28053 [1,0,0,0,1,0|2,0,0]=4 872 B8R1.1 Cc1cc(sc1)CCl AB72607 [1,0,0,0,1,0|2,0,0]=4 873 B8R1.1 Cc1cc(sc1)CN AB25763 [1,0,0,0,1,0|2,0,0]=4 874 B8R1.1 Cc1cnc(o1)CO AB63479 [1,0,0,0,1,0|2,0,0]=4 875 B8R1.1 Cc1cnc(o1)NC AB65971 [1,0,0,0,1,0|2,0,0]=4 876 B8R1.1 Cc1cnc(s1)CCl AB43206 [1,0,0,0,1,0|2,0,0]=4 877 B8R1.1 Cc1cnc(s1)CN AB43201 [1,0,0,0,1,0|2,0,0]=4 878 B8R1.1 Cc1coc(n1)CCl AB70149 [1,0,0,0,1,0|2,0,0]=4 879 B8R1.1 Cc1coc(n1)CN AB70147 [1,0,0,0,1,0|2,0,0]=4 880 B8R1.1 Cc1coc(n1)NC AB65967 [1,0,0,0,1,0|2,0,0]=4 881 B8R1.1 Cc1csc(n1)CCl AB43168 [1,0,0,0,1,0|2,0,0]=4 882 B8R1.1 Cc1csc(n1)CN AB59755 [1,0,0,0,1,0|2,0,0]=4 883 B8R1.1 Cc1csc(n1)CO AB44110 [1,0,0,0,1,0|2,0,0]=4 884 B8R1.1 Cc1csc(n1)NC AB10516 [1,0,0,0,1,0|2,0,0]=4 885 B8R1.1 Cc1nc(co1)CCl AB45871 [1,0,0,0,1,0|2,0,0]=4 886 B8R1.1 Cc1nc(co1)CN AB54740 [1,0,0,0,1,0|2,0,0]=4 887 B8R1.1 Cc1nc(co1)CO AB48508 [1,0,0,0,1,0|2,0,0]=4 888 B8R1.1 Cc1nc(cs1)CCl AB02129 [1,0,0,0,1,0|2,0,0]=4 889 B8R1.1 Cc1nc(cs1)CN AB23320 [1,0,0,0,1,0|2,0,0]=4 890 B8R1.1 Cc1nc(no1)CCl AB09935 [1,0,0,0,1,0|2,0,0]=4 891 B8R1.1 Cc1nc(no1)CO AB43139 [1,0,0,0,1,0|2,0,0]=4 892 B8R1.1 Cc1nc(on1)CCl AB45279 [1,0,0,0,1,0|2,0,0]=4 893 B8R1.1 Cc1nc(on1)CN AB57218 [1,0,0,0,1,0|2,0,0]=4 894 B8R1.1 Cc1nc(on1)CO AB44080 [1,0,0,0,1,0|2,0,0]=4 895 B8R1.1 Cc1ncc(o1)CCl AB70153 [1,0,0,0,1,0|2,0,0]=4 896 B8R1.1 Cc1ncc(o1)CN AB64071 [1,0,0,0,1,0|2,0,0]=4 897 B8R1.1 Cn1cc(cn1)CCl AB53748 [1,0,0,0,1,0|2,0,0]=4 898 B8R1.1 Cn1cc(cn1)CN PB29175 [1,0,0,0,1,0|2,0,0]=4 899 B8R1.1 Cn1cc(cn1)CO PB19942 [1,0,0,0,1,0|2,0,0]=4 900 B8R1.1 Cn1cc(nc1)CCl AB60095 [1,0,0,0,1,0|2,0,0]=4 901 B8R1.1 Cn1cc(nc1)CN PB10356 [1,0,0,0,1,0|2,0,0]=4 902 B8R1.1 Cn1cc(nc1)CO PB13038 [1,0,0,0,1,0|2,0,0]=4 903 B8R1.1 Cn1cnc(n1)CCl AB28284 [1,0,0,0,1,0|2,0,0]=4 904 B8R1.1 Cn1cnc(n1)CN PB35871 [1,0,0,0,1,0|2,0,0]=4 905 B8R1.1 Cn1cnc(n1)CO PB34812 [1,0,0,0,1,0|2,0,0]=4 906 B8R1.11 Cn1cncc1CCl AB49658 [1,0,0,0,1,0|2,0,0]=4 907 B8R1.11 Cn1cncc1CN PB24886 [1,0,0,0,1,0|2,0,0]=4 908 B8R1.11 Cn1cncc1CO PB17276 [1,0,0,0,1,0|2,0,0]=4 909 B8R1.18 CC1=NC(=NC1Cl)C AB58139 [1,0,0,0,1,0|1,0,1]=4 910 B8R1.18 CC1C(=NC(=N1)Cl)C AB54802 [1,0,0,0,1,0|1,0,1]=4 911 B8R1.18 CC1C(=NC(=N1)N)C AB54790 [1,0,0,0,1,0|1,0,1]=4 912 B8R1.18 Cc1c(cn(n1)C)Br PB23204 [1,0,0,0,1,0|2,0,0]=4 913 B8R1.18 Cc1c(cn(n1)C)N AB10629 [1,0,0,0,1,0|2,0,0]=4 914 B8R1.18 Cc1c(cn(n1)C)N PB34221 [1,0,0,0,1,0|2,0,0]=4 915 B8R1.18 Cc1c(nn(n1)C)Br MB14575 [1,0,0,0,1,0|2,0,0]=4 916 B8R1.18 Cc1c(oc(n1)N)C AB25421 [1,0,0,0,1,0|2,0,0]=4 917 B8R1.18 Cc1cc(n(n1)C)Br PB11837 [1,0,0,0,1,0|2,0,0]=4 918 B8R1.18 Cc1cc(n(n1)C)N AB02131 [1,0,0,0,1,0|2,0,0]=4 919 B8R1.18 Cc1cn(c(n1)Br)C AB26588 [1,0,0,0,1,0|2,0,0]=4 920 B8R1.18 Cc1nc(cn1C)Br AB26584 [1,0,0,0,1,0|2,0,0]=4 921 B8R1.50 Cc1c(c(on1)C)Br PB14113 [1,0,0,0,1,0|2,0,0]=4 922 B8R1.50 Cc1c(c(on1)C)I AB04361 [1,0,0,0,1,0|2,0,0]=4 923 B8R1.50 Cc1c(cnn1C)Br AB51571 [1,0,0,0,1,0|2,0,0]=4 924 B8R1.50 Cc1cnc(n1C)Br AB26586 [1,0,0,0,1,0|2,0,0]=4 925 B8R1.50 Cc1cnn(c1Br)C AB84867 [1,0,0,0,1,0|2,0,0]=4 926 B8R1.50 Cc1ncc(n1C)Br AB26592 [1,0,0,0,1,0|2,0,0]=4 927 B8R1.50 Cc1nnc(n1C)C AB07353 [1,0,0,0,1,0|2,0,0]=4