0 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.3 C#Cc1ncc(cn1)C=O AB69146 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.3 CCc1ccc(cc1)NN AB10141 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.3 CCc1ccc(nc1)CCl AB60001 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.3 CNc1ccc(nc1)OC AB60608 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.3 CNc1ncc(cn1)C=O AB30585 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.3 COc1ccc(cc1)C#N AB00162 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.3 COc1ccc(cc1)NN AB11940 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.3 COc1ccc(cn1)C#C PB23831 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.3 COc1ccc(cn1)C#N AB03173 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.3 COc1ccc(cn1)CCl AB59942 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.3 COc1ccc(cn1)CCl AB59945 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.3 COc1ccc(cn1)CN PB34107 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.3 COc1ccc(cn1)CO PB17339 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.3 COc1ccc(cn1)NN AB50207 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.3 COc1ccc(nc1)C#C AB68974 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.3 COc1ccc(nc1)C#N PB32629 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.3 COc1ccc(nc1)C=O PB17495 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.3 COc1ccc(nc1)CCl AB59864 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.3 COc1ccc(nc1)CCl PB31547 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.3 COc1ccc(nc1)CN AB59858 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.3 COc1ccc(nc1)CO PB32580 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.3 COc1ccc(nn1)C=O AB61123 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.3 COc1ccc(nn1)CCl AB62549 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.3 COc1ccc(nn1)CN AB61133 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.3 COc1ccc(nn1)NN AB44993 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.3 COc1cnc(cn1)C#N AB60470 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.3 COc1cnc(cn1)C=O AB60467 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.3 COc1cnc(cn1)CCl AB69883 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.3 COc1cnc(cn1)CN AB69881 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.3 COc1cnc(nc1)C=O AB59742 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.3 COc1ncc(cn1)C#C AB69109 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.3 COc1ncc(cn1)C=O AB15446 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.3 COc1ncc(cn1)CCl AB58903 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.3 COc1ncc(cn1)CN AB45827 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.3 CSc1ccc(cc1)CCl AB05549 [0,0,0,0,0,0|1,1,1]=3 36 B10R1.3 CSc1ccc(cc1)CO AB00982 [0,0,0,0,0,0|0,1,2]=3 37 B10R1.3 CSc1ncc(cn1)C=O PB17314 [0,0,0,0,0,0|2,1,0]=3 38 B10R1.3 c1c(cnc(n1)CCl)C=O AB59413 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.3 c1c(cnc(n1)CN)C=O AB63214 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.3 c1c(ncc(n1)C=O)C=O AB70646 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.3 c1cc(ccc1C#N)NN AB06913 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.3 c1cc(ccc1CN)CO AB23442 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.3 c1cc(ncc1C#N)C=O AB67705 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.3 c1cc(ncc1C=O)C#N AB66011 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.3 c1cc(ncc1C=O)CCl AB69673 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.3 c1cc(ncc1CCl)C=O AB59921 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.3 c1cc(nnc1C=O)C=O AB74050 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 C#Cc1ccc(nc1)O AB69001 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.1 CCc1ccc(cn1)N AB63590 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.1 CCc1ccc(cn1)O MB03842 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 CNc1ccc(cn1)O AB69733 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.1 COc1ccc(cn1)Br AB08771 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.1 COc1ccc(cn1)F AB13611 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 COc1ccc(cn1)N PB27370 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.1 COc1ccc(cn1)O CB10969 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.1 COc1ccc(nc1)Br PB22062 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.1 COc1ccc(nc1)F AB66773 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.1 COc1ccc(nc1)I AB11726 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.1 COc1ccc(nc1)N PB14487 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 COc1ccc(nn1)Cl PB28962 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 COc1ccc(nn1)I AB59856 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 COc1ccc(nn1)N PB23243 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 COc1cnc(cn1)Br PB10528 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 COc1cnc(cn1)Cl PB22219 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 COc1cnc(cn1)I AB75719 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.1 COc1cnc(cn1)N PB26534 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.1 COc1cnc(nc1)Br PB21090 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 COc1cnc(nc1)Cl PB32662 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.1 COc1cnc(nc1)N PB30618 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 COc1ncc(cn1)Br AB21286 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 COc1ncc(cn1)Cl AB42003 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.1 COc1ncc(cn1)N AB43671 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 COc1ncc(cn1)O AB58606 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,0,0,0,0,0|2,1,0]=4 85 B9R1.1 CSc1ccc(cn1)O MB25590 [1,0,0,0,0,0|1,1,1]=4 86 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,0,0,0,0,0|2,1,0]=4 87 B9R1.1 Cc1ccc(cn1)C#N PB30561 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.1 Cc1ccc(cn1)C=C PB17233 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.1 Cc1ccc(cn1)C=O PB17503 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.1 Cc1ccc(cn1)NN PB15841 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.1 Cc1ccc(nc1)C=O AB31466 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.1 Cc1ccc(nn1)C=O AB44106 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 Cc1ccc(nn1)OC AB51434 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.1 Cc1cnc(cn1)C=O PB23818 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 Cc1cnc(nc1)C=O PB31489 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 Cc1ncc(cn1)C=O PB13046 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.1 c1c(cnc(n1)C=O)Br AB59082 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.1 c1c(cnc(n1)C=O)Cl PB22417 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 c1c(cnc(n1)C=O)F PB26883 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 c1c(cnc(n1)C=O)N AB58984 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 c1c(cnc(n1)Cl)C=O PB31481 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 c1c(cnc(n1)N)C=O PB12291 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.1 c1c[n+](ccc1ON)[O-] AB31589 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.1 c1cc(ccc1CBr)Br AB00113 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.1 c1cc(ccc1CI)O MB06957 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.1 c1cc(ccc1CN)O AB11678 [1,0,0,0,0,0|1,0,1]=3 117 B9R1.1 c1cc(ncc1Br)C=O PB30785 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 c1cc(ncc1C#N)O PB17354 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.1 c1cc(ncc1C=O)Br PB27654 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 c1cc(ncc1C=O)F PB23560 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.1 c1cc(ncc1C=O)N PB19003 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 c1cc(ncc1F)C=O AB42648 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.1 c1cc(ncc1N)C=O AB67740 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 c1cc(ncc1O)C#N PB12442 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.1 c1cc(ncc1O)C=O AB59867 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.1 c1cc(ncc1O)CN MB14856 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.1 c1cc(nnc1C=O)Cl PB13298 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.3 B(c1ccc(cc1)C=C)(O)O AB05462 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.3 B(c1ccc(cc1)C=O)(O)O AB03995 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.3 B(c1ccc(cc1)CC)(O)O AB07463 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.3 B(c1ccc(cc1)OC)(O)O AB01770 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.3 B(c1ccc(cc1)SC)(O)O AB03347 [0,1,0,0,0,0|1,1,1]=4 136 B11R1.3 B(c1ccc(cn1)OC)(O)O AB48963 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.3 B(c1ccc(nc1)C=O)(O)O AB23829 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.3 B(c1ccc(nc1)OC)(O)O AB10717 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.3 C#Cc1ccc(cc1)[N+](=O)[O-] AB01446 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.3 CC(=O)c1ccc(cn1)C#N AB67713 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.3 CC(=O)c1ccc(nc1)C#N AB25372 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.3 CC(C)c1cnc(cn1)C=O AB73119 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.3 CC(C)c1ncc(cn1)C=O AB30578 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.3 CC(c1ccc(nc1)OC)N AB67099 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.3 CC(c1ncc(cn1)C=O)N AB63229 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.3 CCc1ccc(cc1)C(=S)N AB23762 [0,1,0,0,0,0|1,1,0]=3 152 B11R1.3 CCc1ccc(cn1)[N+](=O)[O-] PB20052 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.3 CN(C)c1ccc(cc1)CO AB16431 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.3 CN(C)c1ccc(cn1)C=O AB44362 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.3 CN(C)c1ccc(nc1)C=O AB73189 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.3 CN(C)c1cnc(cn1)C=O AB60505 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.3 CN(C)c1ncc(cn1)C=O AB15449 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.3 CNc1ccc(cn1)[N+](=O)[O-] AB04049 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.3 CNc1ncc(cn1)C(=O)O AB43554 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,1,0,0,0,0|0,0,0]=1 162 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [0,1,0,0,0,0|0,1,0]=2 163 B11R1.3 COc1ccc(cn1)C(=N)N MB05831 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] AB00668 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.3 CSc1ncc(cn1)C(=O)O PB17421 [0,1,0,0,0,0|2,1,0]=4 171 B11R1.3 c1cc(ccc1C=O)C(=N)N AB11535 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.3 c1cc(ncc1C#N)C(=O)O AB49711 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.3 c1cc(ncc1C(=O)O)C#N AB08639 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.3 c1cc(ncc1C(=O)O)NN PB27614 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.3 c1cc(ncc1C(F)F)C=O AB74732 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.3 c1cc(ncc1C=O)C(=O)O AB63121 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.3 c1cc(ncc1C=O)C(F)F AB74731 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.3 c1cc(ncc1[N+](=O)[O-])C=O PB22016 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.83 CCCc1ccc(cc1)NN AB23596 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.83 CCOc1ccc(cn1)C#C AB68996 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.83 CCOc1ccc(cn1)CCl AB59947 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.83 CCOc1ccc(nc1)C=O AB73192 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.83 CNCc1ccc(cn1)OC AB67556 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.83 CNCc1ccc(nc1)OC AB67058 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.83 COc1ccc(cc1)CC#C AB61379 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.83 COc1ccc(cc1)CC=O AB11810 [0,1,0,0,0,0|0,0,0]=1 189 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,1,0,0,0,0|0,0,2]=3 190 B11R1.83 COc1ccc(cc1)CNN PB19937 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.83 COc1ccc(cn1)CC#C AB69167 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.83 COc1ccc(cn1)CCBr AB72327 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.83 COc1ccc(cn1)CCN AB45430 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.83 COc1ccc(cn1)N=C=O AB74207 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.83 COc1ccc(nc1)CC#C AB73241 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.83 COc1ccc(nc1)CC#N AB65289 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.83 COc1ccc(nc1)CCBr AB73197 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.83 COc1ccc(nc1)CCN AB65488 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.83 c1c(cnc(n1)CCN)C=O AB63291 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.83 c1cc(ccc1C=O)N=C=O AB74254 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.83 c1cc(ccc1CCN)CO AB30409 [0,1,0,0,0,0|1,0,2]=4 203 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.279 CCc1ccc(c(c1)O)C#N AB50292 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.279 CCc1ccc(c(c1)O)CN MB23834 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [0,1,0,0,0,0|1,1,1]=4 211 B11R1.279 CCc1ccc(cc1O)C#N MB23779 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.279 CCc1ccc(cc1O)CN MB23838 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.279 CCc1ccc(cc1O)NC MB23855 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.279 CCc1ccc(cc1O)OC MB04144 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.279 CCc1ccc(cc1O)SC MB23989 [0,1,0,0,0,0|1,1,1]=4 217 B11R1.279 CNc1ccc(c(c1)O)C=O MB38816 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.279 CNc1ccc(c(c1)O)NC MB27488 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.279 CNc1ccc(c(c1)O)SC MB31040 [0,1,0,0,0,0|2,1,0]=4 220 B11R1.279 CNc1ccc(cc1O)C#N MB32288 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.279 CNc1ccc(cc1O)CN MB30036 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.279 CNc1ccc(cc1O)OC MB36336 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.279 COc1c(cc(cn1)C#C)F AB74584 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.279 COc1c(cc(cn1)C=O)Br AB70947 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.279 COc1c(cc(cn1)C=O)Cl AB20954 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.279 COc1c(cc(cn1)C=O)F AB17649 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.279 COc1c(cc(cn1)CCl)F AB71009 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.279 COc1c(cc(cn1)CN)Cl AB70281 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.279 COc1c(cc(cn1)CN)F AB74581 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.279 COc1cc(c(cn1)C=O)Br AB67009 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.279 COc1cc(c(cn1)C=O)Cl AB66998 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.279 COc1cc(c(cn1)C=O)N AB83675 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.279 COc1cc(c(cn1)C=O)O AB74871 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.279 COc1cc(c(nc1)C=O)N AB83737 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.279 COc1cc(c(nc1)C=O)O AB84580 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.279 COc1ccc(c(c1)Br)C#N MB06936 [0,1,0,0,0,0|1,0,1]=3 238 B11R1.279 COc1ccc(c(c1)F)CBr AB50043 [0,1,0,0,0,0|1,0,1]=3 239 B11R1.279 COc1ccc(c(c1)F)CN AB20685 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.279 COc1ccc(c(c1)F)CO AB20682 [0,1,0,0,0,0|0,0,2]=3 241 B11R1.279 COc1ccc(c(c1)N)C#N AB21542 [0,1,0,0,0,0|1,0,1]=3 242 B11R1.279 COc1ccc(c(c1)N)C=O AB54699 [0,1,0,0,0,0|0,0,0]=1 243 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.279 COc1ccc(c(n1)Br)C=O AB68201 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.279 COc1ccc(c(n1)Cl)C=O AB59889 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.279 COc1ccc(c(n1)Cl)CN AB68189 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.279 COc1ccc(c(n1)F)C=O AB71338 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.279 COc1ccc(c(n1)N)C=O AB76143 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.279 COc1ccc(c(n1)O)C=O AB84537 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.279 COc1ccc(cc1Br)C#N AB03835 [0,1,0,0,0,0|1,0,1]=3 254 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [0,1,0,0,0,0|1,0,1]=3 255 B11R1.279 COc1ccc(cc1F)C#N AB04880 [0,1,0,0,0,0|1,0,1]=3 256 B11R1.279 COc1ccc(cc1O)C#N MB02393 [0,1,0,0,0,0|1,0,1]=3 257 B11R1.279 COc1ccc(cc1O)SC MB37214 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.279 COc1cnc(c(n1)Cl)C=O AB60389 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.279 COc1cnc(cc1Cl)C=O AB67540 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.279 COc1ncc(c(n1)N)C=O AB42558 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.279 CSc1ccc(c(c1)O)C=O MB32919 [0,1,0,0,0,0|0,1,0]=2 262 B11R1.279 CSc1ccc(cc1O)C#N MB28697 [0,1,0,0,0,0|1,1,1]=4 263 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [0,1,0,0,0,0|0,1,0]=2 264 B11R1.279 CSc1ccc(cc1O)CN MB29248 [0,1,0,0,0,0|1,1,1]=4 265 B11R1.279 CSc1ncc(c(n1)Cl)C=O PB19458 [0,1,0,0,0,0|2,1,0]=4 266 B11R1.279 CSc1ncc(c(n1)N)C=O PB31299 [0,1,0,0,0,0|2,1,0]=4 267 B11R1.279 Cc1c(ncc(n1)OC)C=O AB85667 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.279 Cc1cc(cnc1OC)C#N AB65209 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.279 c1c(cnc(c1N)C=O)C=O AB83740 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.279 c1c(cnc(c1O)C=O)C=O AB84585 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.279 c1c(cnc(c1O)C=O)CCl AB84592 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.279 c1c(ncc(c1Cl)C#N)C=O AB67708 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.279 c1c(ncc(c1N)C=O)C=O AB83681 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.279 c1c(ncc(c1O)C=O)C=O AB84440 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.279 c1c(ncc(c1O)C=O)CCl AB84446 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.279 c1cc(c(cc1C#N)F)C=O AB32080 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.279 c1cc(c(cc1C#N)O)C=O MB06108 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.279 c1cc(c(cc1C=O)F)C#N AB28328 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.279 c1cc(c(cc1C=O)O)C#N MB25582 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.279 c1cc(c(nc1CCl)O)C=O AB84549 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.279 c1cc(nc(c1C=O)N)C=O AB83711 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.279 c1cc(nc(c1C=O)O)C=O AB84543 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.21 CCc1[nH]c(cn1)C=O AB08501 [0,0,0,0,1,0|3,0,0]=4 287 B9R1.21 COc1[nH]cc(n1)C=O AB57915 [0,0,0,0,1,0|2,0,0]=3 288 B9R1.21 COc1ncc(s1)C=O AB50989 [0,0,0,0,1,0|2,0,0]=3 289 B9R1.21 CSc1[nH]c(cn1)C=O AB56996 [0,0,0,0,1,0|2,1,0]=4 290 B9R1.21 c1cc(oc1C=O)C#N AB44041 [0,0,0,0,1,0|3,0,0]=4 291 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 COc1cccnn1 AB05130 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.2 COc1ccnnc1 AB44150 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 c1c(cncn1)C=O PB32342 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.2 c1cc(nnc1)C=O PB20119 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 c1ccnc(c1)C=O AB00680 [2,0,0,0,0,0|1,0,0]=3 299 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 c1cnc(nc1)C=O PB34235 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 c1cnccc1C=O AB00754 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 c1cncnc1C=O AB16150 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.2 c1cnncc1C=O PB17346 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.3 Cc1ccc(cn1)Br AB06624 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.3 Cc1ccc(cn1)Cl AB17956 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.3 Cc1ccc(cn1)F PB18589 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.3 Cc1ccc(cn1)N PB32227 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.3 Cc1ccc(cn1)O PB30543 [2,0,0,0,0,0|1,0,1]=4 311 B8R1.3 Cc1ccc(nc1)Br PB17145 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.3 Cc1ccc(nc1)Cl AB07104 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.3 Cc1ccc(nc1)F AB01857 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.3 Cc1ccc(nc1)N AB17938 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.3 Cc1ccc(nc1)O AB13138 [2,0,0,0,0,0|1,0,1]=4 316 B8R1.3 c1cc(ncc1Br)O AB05097 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 c1cc(ncc1I)O AB05112 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.3 c1cc(ncc1N)O AB15078 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.3 c1cc(ncc1O)Br PB15771 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.3 c1cc(ncc1O)Cl PB32188 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.3 c1cc(ncc1O)F AB08123 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.3 c1cc(ncc1O)I AB50021 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.3 c1cc(ncc1O)N AB15563 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|0,0,0]=2 327 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.1 Cc1ccc(cn1)N=C=O AB43377 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.1 Cc1ccc(nc1)\C=N\O AB72002 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,1,0,0,0,0|0,1,0]=3 361 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] PB18660 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,1,0,0,0,0|1,1,0]=4 383 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,1,0,0,0,0|1,1,0]=4 384 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,1,0,0,0,0|1,1,0]=4 385 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,1,0,0,0,0|1,1,0]=4 386 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,1,0,0,0,0|0,1,0]=3 387 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.25 CNc1ccc(cc1F)O MB31256 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.25 CNc1ccc(cc1I)O MB37121 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.25 CNc1ccc(cc1N)O MB30558 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.25 COc1c(cc(cn1)Br)Cl AB20950 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.25 COc1c(cc(cn1)Br)F AB17621 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.25 COc1c(cc(cn1)Br)I AB21850 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.25 COc1c(cc(cn1)Br)N PB15873 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.25 COc1c(cc(cn1)Cl)Br AB43095 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.25 COc1c(cc(cn1)Cl)F AB41066 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.25 COc1c(cc(cn1)Cl)N AB41036 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.25 COc1c(cc(cn1)F)N AB75363 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.25 COc1c(cc(cn1)N)Cl AB70284 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.25 COc1c(cc(cn1)N)F AB40818 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.25 COc1c(cc(cn1)O)F AB70291 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,1,0,0,0,0|0,0,1]=3 434 B10R1.25 COc1ccc(cc1F)Br AB01075 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.25 COc1ccc(cc1I)O MB26647 [1,1,0,0,0,0|0,0,1]=3 436 B10R1.25 COc1ccc(cc1N)O MB34521 [1,1,0,0,0,0|0,0,1]=3 437 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.25 COc1ccc(cc1O)I MB38179 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.25 COc1ccc(nc1Br)N AB26774 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.25 COc1ccc(nc1Cl)N AB40624 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.25 COc1cnc(cc1Cl)N PB15356 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.25 COc1cnc(cc1O)Cl AB69306 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.25 CSc1ccc(cc1Br)O MB25524 [1,1,0,0,0,0|0,1,1]=4 444 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [1,1,0,0,0,0|0,1,1]=4 445 B10R1.25 CSc1ccc(cc1F)O MB25544 [1,1,0,0,0,0|0,1,1]=4 446 B10R1.25 CSc1ccc(cc1N)O MB34593 [1,1,0,0,0,0|0,1,1]=4 447 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,1,0,0,0,0|1,1,0]=4 448 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,1,0,0,0,0|1,1,0]=4 449 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,1,0,0,0,0|1,1,0]=4 450 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,1,0,0,0,0|1,1,0]=4 451 B10R1.25 Cc1c(ccc(n1)Br)C=O AB66856 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.25 Cc1c(ccc(n1)Cl)C=O AB32133 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.25 Cc1cc(c(cn1)C=O)Br AB66855 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.25 Cc1cc(c(cn1)C=O)Cl AB66849 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.25 Cc1cc(c(cn1)C=O)F AB75172 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.25 Cc1cc(c(cn1)C=O)N AB83689 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.25 Cc1cc(c(nc1)C=O)Cl AB75087 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.25 Cc1cc(c(nc1)C=O)F AB75163 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.25 Cc1cc(c(nc1)C=O)N AB83746 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.25 Cc1cc(ccc1NC)O MB05083 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,1,0,0,0,0|0,0,1]=3 470 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.25 Cc1cc(cnc1OC)N AB20996 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.25 Cc1cc(ncc1C=O)Br AB67814 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.25 Cc1cc(ncc1C=O)C AB74124 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.25 Cc1cc(ncc1C=O)Cl AB32140 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.25 Cc1cc(ncc1C=O)F AB75824 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,1,0,0,0,0|0,1,1]=4 487 B10R1.25 Cc1ccc(c(n1)Br)C=O AB55809 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.25 Cc1ccc(c(n1)Cl)C=O AB32135 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.25 Cc1ccc(c(n1)N)C=O AB27631 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.25 Cc1ncc(c(n1)N)C=O AB53802 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.25 c1c(c(cnc1Br)C=O)Cl AB67260 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.25 c1c(c(cnc1Br)C=O)F AB68032 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.25 c1c(c(cnc1Br)C=O)N AB68108 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.25 c1c(c(cnc1Br)C=O)O AB72645 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.25 c1c(c(cnc1Cl)C=O)Br AB67955 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.25 c1c(c(cnc1Cl)C=O)Cl PB13495 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.25 c1c(c(cnc1Cl)C=O)F AB68027 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.25 c1c(c(cnc1Cl)C=O)N AB52769 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.25 c1c(c(cnc1F)C=O)Cl AB75063 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.25 c1c(c(cnc1N)C=O)Cl AB71947 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.25 c1c(c(cnc1N)C=O)N AB43397 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.25 c1c(c(cnc1N)C=O)O AB84438 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.25 c1c(cnc(c1Br)C=O)Br AB48580 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.25 c1c(cnc(c1Cl)C=O)F AB70954 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.25 c1c(cnc(c1F)C=O)Br PB11091 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.25 c1c(cnc(c1F)C=O)Cl AB70957 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.25 c1c(cnc(c1N)C=O)Br AB83734 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.25 c1c(cnc(c1N)C=O)Cl AB83735 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.25 c1c(cnc(c1N)C=O)N AB83749 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.25 c1c(cnc(c1O)C=O)Br AB70969 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.25 c1c(cnc(c1O)C=O)N AB84581 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [1,1,0,0,0,0|0,0,0]=2 531 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [1,1,0,0,0,0|1,0,1]=4 534 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [1,1,0,0,0,0|0,0,0]=2 536 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [1,1,0,0,0,0|1,0,1]=4 537 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.25 c1cc(nc(c1C=O)Br)Br PB20462 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.25 c1cc(nc(c1C=O)Br)Cl AB64562 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.25 c1cc(nc(c1C=O)Cl)Cl PB17413 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.25 c1cc(nc(c1C=O)F)Br AB70853 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.25 c1cc(nc(c1C=O)N)Br AB69709 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.25 c1cc(nc(c1C=O)N)Cl AB69707 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.25 c1cc(nc(c1C=O)N)N AB76145 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.25 c1cc(nc(c1C=O)O)Br AB84532 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.25 c1cc(nc(c1C=O)O)N AB84539 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.176 COc1cc(c(cn1)Br)N PB16472 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.176 COc1cc(c(cn1)Cl)I AB71228 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.176 COc1cc(c(cn1)Cl)N AB68191 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.176 COc1cc(c(cn1)Cl)O AB69300 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.176 COc1cc(c(cn1)F)N AB70895 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.176 COc1cc(c(cn1)F)O AB69312 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.176 COc1cc(c(cn1)N)Cl AB75726 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.176 COc1cc(c(cn1)N)N AB51235 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.176 COc1cc(c(cn1)O)Cl AB70292 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.176 COc1cc(c(nc1)Cl)N AB62900 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.176 COc1cc(c(nc1)Cl)O AB71170 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.176 COc1cc(c(nc1)N)Cl AB70867 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,1,0,0,0,0|0,0,1]=3 585 B10R1.176 COc1ccc(c(c1)F)N AB09440 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.176 COc1ccc(c(c1)I)N AB42374 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,1,0,0,0,0|0,0,1]=3 588 B10R1.176 COc1ccc(c(c1)N)I AB45640 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.176 COc1ccc(c(c1)N)N AB02069 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,1,0,0,0,0|0,0,1]=3 591 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.176 COc1ccc(c(c1)O)F MB25573 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.176 COc1ccc(c(c1)O)I MB12203 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.176 COc1ccc(c(n1)Br)N AB21737 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.176 COc1ccc(c(n1)Cl)N AB49773 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.176 COc1ccc(c(n1)Cl)O AB69288 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.176 COc1ccc(c(n1)N)Br AB43426 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.176 COc1ccc(c(n1)N)Cl AB62898 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.176 COc1ccc(c(n1)N)N AB25773 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.176 COc1ccc(c(n1)O)Cl AB75736 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,1,0,0,0,0|0,1,1]=4 602 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,1,0,0,0,0|0,1,1]=4 603 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,1,0,0,0,0|0,1,1]=4 604 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,1,0,0,0,0|0,1,1]=4 605 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,1,0,0,0,0|0,1,1]=4 606 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [1,1,0,0,0,0|1,1,0]=4 607 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [1,1,0,0,0,0|1,1,0]=4 608 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [1,1,0,0,0,0|1,1,0]=4 609 B10R1.176 Cc1c(cc(cn1)C=O)Cl AB74641 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.176 Cc1c(cc(cn1)C=O)F AB62781 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.176 Cc1c(cc(cn1)OC)N AB73554 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.176 Cc1c(ccc(n1)OC)Br AB13393 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.176 Cc1c(nc(cn1)C=O)C AB77048 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.176 Cc1cc(ccc1O)CN MB05062 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.176 Cc1cc(cnc1C)OC AB85300 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.176 Cc1cc(cnc1N)OC AB73557 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.176 Cc1cc(ncc1Br)C=O AB41159 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.176 Cc1cc(ncc1Br)OC AB17469 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.176 Cc1cc(ncc1Cl)C=O AB41161 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.176 Cc1cc(ncc1F)C=O AB75169 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.176 Cc1cc(ncc1N)OC AB44888 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.176 Cc1ccc(cc1Br)C#N AB29736 [1,1,0,0,0,0|1,0,1]=4 637 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [1,1,0,0,0,0|1,0,1]=4 638 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [1,1,0,0,0,0|0,0,0]=2 639 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,1,0,0,0,0|0,0,1]=3 641 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,1,0,0,0,0|0,1,1]=4 642 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.176 Cc1ccc(nc1Cl)C=O AB75097 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.176 Cc1ccc(nc1F)C=O AB72847 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.176 Cc1ccc(nc1N)OC AB73563 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.176 Cc1cnc(cc1Br)C=O AB70162 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.176 Cc1cnc(cc1Cl)C=O AB67497 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.176 Cc1cnc(cc1F)C=O AB82952 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.176 Cc1cnc(cc1N)OC AB73589 [1,1,0,0,0,0|1,0,1]=4 650 B10R1.176 Cn1ccc(cc1=O)C=O PB35148 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.176 c1c(cnc(c1Br)Cl)C=O AB64592 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.176 c1c(cnc(c1Cl)Br)C=O AB70941 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.176 c1c(cnc(c1Cl)F)C=O AB70931 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.176 c1c(cnc(c1Cl)N)C=O AB76562 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.176 c1c(cnc(c1F)Br)C=O AB70942 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.176 c1c(cnc(c1F)Cl)C=O AB67661 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.176 c1c(cnc(c1F)F)C=O AB70938 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.176 c1c(cnc(c1N)Cl)C=O AB67746 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.176 c1c(ncc(c1Cl)Br)C=O AB67641 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.176 c1c(ncc(c1Cl)Cl)C=O AB67602 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.176 c1c(ncc(c1Cl)F)C=O AB67655 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.176 c1c(ncc(c1Cl)N)C=O AB67744 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.176 c1c(ncc(c1F)Cl)C=O AB82983 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.176 c1c(ncc(c1F)F)C=O AB73186 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.176 c1c(ncc(c1N)Cl)C=O AB83912 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.176 c1c(ncc(c1O)Cl)C=O AB75002 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [1,1,0,0,0,0|1,0,1]=4 671 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [1,1,0,0,0,0|0,0,0]=2 674 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [1,1,0,0,0,0|0,0,0]=2 675 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [1,1,0,0,0,0|1,0,1]=4 680 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [1,1,0,0,0,0|1,0,1]=4 681 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [1,1,0,0,0,0|1,0,1]=4 682 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [1,1,0,0,0,0|1,0,1]=4 683 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.176 c1cc(c(nc1C=O)Cl)F AB70948 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.176 c1cc(c(nc1C=O)Cl)N AB75366 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.176 c1cc(c(nc1C=O)F)Cl AB70952 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.176 c1cc(c(nc1C=O)F)F AB70940 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.176 c1cc(c(nc1C=O)N)Cl AB83955 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.176 c1cc(c(nc1C=O)O)Cl AB70962 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.31 COc1cc(on1)C(=O)O AB31988 [0,1,0,0,1,0|2,0,0]=4 692 B10R1.31 COc1ncc(s1)C(=O)O AB50992 [0,1,0,0,1,0|2,0,0]=4 693 B12R1.5 CCc1ccc(cc1)C(=O)C=O AB48659 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.5 COC(=N)c1ccc(cc1)C=O AB60994 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.5 COC(=O)c1ccc(cc1)C#C AB04259 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.5 COC(=O)c1ccc(cn1)C=O AB63118 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.5 COC(=O)c1ccc(nc1)C=O AB44523 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.5 COC(=O)c1cnc(cn1)C=O AB65854 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.5 COc1ccc(cc1)C(=N)OC AB04684 [0,2,0,0,0,0|0,0,1]=3 700 B12R1.5 COc1ccc(cc1)C(=O)C#N MB03942 [0,2,0,0,0,0|0,0,0]=2 701 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05250 [0,2,0,0,0,0|0,0,0]=2 702 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05286 [0,2,0,0,0,0|0,0,0]=2 703 B12R1.5 COc1ccc(cn1)C(=O)OC PB33918 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.5 COc1ccc(nc1)C(=O)OC PB10973 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.5 CSc1ccc(cc1)C(=O)C=O AB48690 [0,2,0,0,0,0|0,1,0]=3 706 B12R1.5 C[C@H](CN)c1ccc(cc1)OC AB85099 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB14104 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB44430 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.5 c1cc(ccc1CN)C(=O)C=O AB23361 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.6 CC(C)(C)c1ccc(cn1)C=O AB49282 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.6 CC(C)(c1ccc(cc1)OC)N AB43157 [0,2,0,0,0,0|1,0,1]=4 712 B12R1.6 COc1ccc(cn1)S(=O)(=O)Cl AB28612 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.6 COc1ccc(nc1)S(=O)(=O)Cl AB67571 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.6 CS(=O)(=O)c1ccc(cc1)C=O AB04882 [0,2,0,0,0,0|0,1,0]=3 715 B12R1.6 [B-](c1ccc(cc1)C=O)(F)(F)F AB10874 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.6 [B-](c1ccc(cc1)OC)(F)(F)F AB17659 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.48 B(c1ccc(c(c1)C)OC)(O)O AB11185 [0,2,0,0,0,0|1,0,1]=4 718 B12R1.48 B(c1ccc(c(c1)Cl)OC)(O)O AB17452 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.48 B(c1ccc(c(c1)F)C=O)(O)O AB10730 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O AB07328 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.48 B(c1ccc(c(c1)N)OC)(O)O AB20845 [0,2,0,0,0,0|1,0,1]=4 722 B12R1.48 CC(=O)c1cc(c(cn1)C=O)N AB83682 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.48 CC(=O)c1cc(c(cn1)C=O)O AB84443 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.48 CC(=O)c1cc(c(nc1)C=O)N AB83741 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.48 CC(=O)c1cc(c(nc1)C=O)O AB84588 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.48 CC(=O)c1cc(c(nc1)OC)Cl AB70286 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.48 CC(=O)c1cc(c(nc1)OC)F AB74578 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.48 CC(=O)c1ccc(c(n1)N)C=O AB83712 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.48 CC(=O)c1ccc(c(n1)O)C=O AB84544 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.48 CC(C)c1ccc(c(c1)O)C=O MB22474 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.48 CC(C)c1ccc(c(c1)O)OC MB13567 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.48 CCc1ccc(cc1O)C(=O)N MB23796 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.48 CCc1ccc(cc1O)C(=O)O MB06270 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.48 CN(C)c1ccc(c(c1)O)C=O MB00354 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.48 CN(C)c1ccc(c(c1)O)OC MB33601 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.48 CN(C)c1ccc(c(n1)N)C=O AB76617 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.48 CNc1ccc(cc1O)C(=O)N MB33559 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.48 CNc1ccc(cc1O)C(=O)O MB29392 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.48 COc1c(cc(cn1)C(=O)O)Br AB64029 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl AB20982 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.48 COc1c(cc(cn1)C(=O)O)F AB62787 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.48 COc1c(cc(cn1)C(=O)O)N AB84951 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.48 COc1c(cc(cn1)C(=O)O)O AB74794 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.48 COc1ccc(cc1Br)C(=N)N AB27395 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.48 COc1ccc(cc1Br)C(=O)N AB64470 [0,2,0,0,0,0|0,0,0]=2 746 B12R1.48 COc1ccc(cc1Br)C(=O)O AB01268 [0,2,0,0,0,0|0,0,0]=2 747 B12R1.48 COc1ccc(cc1O)C(=O)N MB32793 [0,2,0,0,0,0|0,0,0]=2 748 B12R1.48 COc1ccc(nc1Br)C(=O)O AB25432 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.48 COc1ccc(nc1Br)[N+](=O)[O-] AB26771 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.48 COc1ccc(nc1Cl)[N+](=O)[O-] AB40620 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.48 COc1cnc(cc1Cl)C(=O)O AB67547 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.48 CSc1ccc(cc1O)C(=O)N MB34551 [0,2,0,0,0,0|0,1,0]=3 753 B12R1.48 CSc1ccc(cc1O)C(=O)O MB30298 [0,2,0,0,0,0|0,1,0]=3 754 B12R1.48 Cc1c(ccc(n1)[N+](=O)[O-])OC AB53573 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.48 Cc1cc(ccc1C=O)[N+](=O)[O-] AB65917 [0,2,0,0,0,0|2,0,0]=4 756 B12R1.48 Cc1cc(cnc1OC)C(=O)O AB70810 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.48 Cc1cc(cnc1OC)[N+](=O)[O-] AB20995 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.48 Cc1cc(ncc1C=O)N(C)C AB44363 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.48 c1cc(c(cc1C(=O)N)O)C#N MB26792 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.48 c1cc(c(cc1C(=O)N)O)CN MB34020 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.48 c1cc(c(cc1C(=O)O)O)C#N MB27102 [0,2,0,0,0,0|2,0,0]=4 762 B12R1.48 c1cc(c(cc1C(=O)O)O)CN MB25917 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.48 c1cc(c(cc1[N+](=O)[O-])F)C=O AB07857 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.48 c1cc(c(cc1[N+](=O)[O-])N)C=O AB50505 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.113 B(c1ccc(cc1)COC)(O)O AB16006 [0,2,0,0,0,0|1,0,1]=4 766 B12R1.113 B(c1ccc(cc1)OCC)(O)O AB06924 [0,2,0,0,0,0|1,0,1]=4 767 B12R1.113 CC(=O)c1ccc(cc1)CC#C AB73223 [0,2,0,0,0,0|1,0,1]=4 768 B12R1.113 CCOc1ccc(cn1)[N+](=O)[O-] AB09600 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.113 CN(C)c1ccc(cc1)CC=O AB48491 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.113 c1cc(ccc1CC=O)[N+](=O)[O-] AB27687 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O AB08109 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O AB03988 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.256 CC(=O)c1ccc(nc1)C(=O)O AB60293 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.256 CC(=O)c1ccc(nc1)N(C)C AB67490 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.256 CN(C)c1ccc(cc1)C(=N)N AB18271 [0,2,0,0,0,0|2,0,0]=4 776 B12R1.256 CN(C)c1ccc(cn1)C(=O)O AB30638 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.452 B(=O)c1ccc(c(c1)Cl)C(=O)Cl AB30721 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.452 B(c1ccc(cc1C)C=O)(O)O AB53513 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.452 B(c1ccc(cc1C)OC)(O)O AB12612 [0,2,0,0,0,0|1,0,1]=4 780 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O AB14285 [0,2,0,0,0,0|1,0,1]=4 781 B12R1.452 B(c1ccc(cc1F)C=O)(O)O AB31110 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.452 B(c1ccc(cc1F)OC)(O)O AB17344 [0,2,0,0,0,0|1,0,1]=4 783 B12R1.452 CC(=O)c1c(cc(cn1)C=O)O AB84321 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.452 CC(=O)c1c(cc(cn1)OC)N AB77142 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.452 CC(=O)c1c(cc(cn1)OC)O AB74834 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.452 CC(=O)c1ccc(cc1F)OC PB30564 [0,2,0,0,0,0|0,0,0]=2 787 B12R1.452 CC(=O)c1ccc(nc1Cl)OC AB67053 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.452 CC(=O)c1ccc(nc1F)OC AB72632 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.452 CC(=O)c1ccc(nc1N)C=O AB83844 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.452 CC(=O)c1ccc(nc1N)OC AB75424 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.452 CC(=O)c1ccc(nc1O)C=O AB84282 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.452 CC(=O)c1ccc(nc1O)OC AB84275 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.452 CC(=O)c1cnc(cc1N)C=O AB83817 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.452 CC(=O)c1cnc(cc1N)OC AB83815 [0,2,0,0,0,0|1,0,0]=3 795 B12R1.452 CC(=O)c1cnc(cc1O)C=O AB84203 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.452 CC(=O)c1cnc(cc1O)OC AB72642 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.452 CC(=O)c1cnc(nc1Cl)OC AB76967 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.452 CC(C)c1ccc(cc1F)OC PB12327 [0,2,0,0,0,0|1,0,1]=4 799 B12R1.452 CC(C)c1ccc(cc1O)C=O MB22475 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.452 CC(C)c1ccc(cc1O)OC MB37919 [0,2,0,0,0,0|1,0,1]=4 801 B12R1.452 CCc1ccc(c(c1)O)C(=O)N MB23792 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.452 CCc1ccc(c(c1)O)C(=O)O MB23797 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.452 CCc1ccc(c(n1)O)C(=O)O AB53119 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.452 CN(C)c1ccc(cc1O)C=O MB35354 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.452 CN(C)c1ccc(cc1O)OC MB27728 [0,2,0,0,0,0|2,0,0]=4 806 B12R1.452 CNc1ccc(c(c1)O)C(=O)N MB37392 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.452 CNc1ccc(c(c1)O)C(=O)O MB10618 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.452 COc1cc(c(cn1)C(=O)O)Br AB67019 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.452 COc1cc(c(cn1)C(=O)O)Cl AB67014 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.452 COc1cc(c(cn1)C(=O)O)F AB67025 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.452 COc1cc(c(cn1)C(=O)O)N PB26882 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.452 COc1cc(c(cn1)C(=O)O)O AB67046 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.452 COc1cc(c(cn1)[N+](=O)[O-])N AB65147 [0,2,0,0,0,0|2,0,0]=4 814 B12R1.452 COc1cc(c(nc1)C(=O)O)N AB77164 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] MB00782 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.452 COc1ccc(c(c1)N)C(=O)O AB06724 [0,2,0,0,0,0|0,0,0]=2 817 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] MB00826 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.452 COc1ccc(c(n1)Br)[N+](=O)[O-] AB42305 [0,2,0,0,0,0|2,0,0]=4 819 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O AB44161 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.452 COc1ccc(c(n1)N)C(=O)O AB69714 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.452 COc1ccc(c(n1)N)[N+](=O)[O-] AB13809 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.452 CSc1ccc(c(c1)O)C(=O)N MB38873 [0,2,0,0,0,0|0,1,0]=3 823 B12R1.452 CSc1ccc(c(c1)O)C(=O)O MB07648 [0,2,0,0,0,0|0,1,0]=3 824 B12R1.452 Cc1c(ncc(n1)OC)C(=O)C AB85670 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.452 Cc1c(ncc(n1)OC)C(=O)O AB85662 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.452 Cc1cc(ccc1N(C)C)C=O CB10492 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.452 Cc1cc(ncc1[N+](=O)[O-])OC CB10664 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.452 c1cc(c(cc1C#N)O)C(=O)N MB30427 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.452 c1cc(c(cc1C#N)O)C(=O)O MB26600 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.452 c1cc(c(cc1C=O)F)[N+](=O)[O-] AB07853 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.452 c1cc(c(cc1C=O)O)C(=O)N MB37703 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.452 c1cc(c(cc1C=O)O)C(=O)O MB30837 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.452 c1cc(c(cc1C=O)O)[N+](=O)[O-] AB00841 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.452 c1cc(c(cc1CN)O)C(=O)N MB36467 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.452 c1cc(c(cc1NN)Br)C(=O)N MB19783 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,2,0,0,0,0|0,0,0]=2 837 B12R1.4 CC(C)Oc1ccc(cc1)NN AB27890 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,2,0,0,0,0|1,0,1]=4 839 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.4 COc1cnc(cn1)CC(=O)O AB69887 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,2,0,0,0,0|1,0,1]=4 843 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,2,0,0,0,0|1,0,1]=4 844 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.71 CNCCc1ccc(cc1)OC AB07595 [0,2,0,0,0,0|1,0,1]=4 846 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [0,2,0,0,0,0|0,0,0]=2 847 B12R1.71 COc1ccc(cc1)CCCN AB07604 [0,2,0,0,0,0|1,0,1]=4 848 B12R1.71 COc1ccc(cc1)CCCO AB00287 [0,2,0,0,0,0|0,0,2]=4 849 B12R1.71 c1cc(ccc1C=O)OCCCl AB01954 [0,2,0,0,0,0|0,0,0]=2 850 B12R1.114 CCOc1c(cc(cn1)C=O)F AB40831 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.116 CCOc1ccc(cn1)N=C=O AB74224 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.288 CNCc1ccc(c(c1)Cl)OC AB55520 [0,2,0,0,0,0|1,0,1]=4 853 B12R1.78 COc1c(cnc(n1)OC)C=O AB03704 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.78 COc1cc(ccc1SC)C=O AB21299 [0,2,0,0,0,0|0,1,0]=3 855 B12R1.78 COc1cc(ncc1C=O)OC AB74664 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.78 COc1ccc(c(n1)OC)C=O AB43523 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.78 COc1cnc(c(n1)OC)C=O AB60453 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.301 COc1c(cc(cc1Br)C=O)O MB07646 [0,2,0,0,0,0|0,0,0]=2 859 B12R1.301 COc1cc(c(c(c1)F)C#N)F AB13332 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.301 COc1cc(c(c(c1)F)C=O)F AB18165 [0,2,0,0,0,0|0,0,0]=2 861 B12R1.301 c1c(cc(c(c1Cl)C=O)Cl)C#N PB25560 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.450 COc1cc(c(cc1Br)OC)O AB23806 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.653 COc1ccc(c(c1O)N)C=O AB53243 [0,2,0,0,0,0|0,0,0]=2 864 B10R1.2 COc1cccc(c1Br)O MB06929 [0,0,1,1,0,0|1,0,1]=4 865 B10R1.2 COc1cccc(c1Cl)N PB11874 [0,0,1,1,0,0|2,0,0]=4 866 B10R1.2 COc1cccc(c1Cl)O MB06074 [0,0,1,1,0,0|1,0,1]=4 867 B10R1.2 COc1cccc(c1F)O MB09318 [0,0,1,1,0,0|1,0,1]=4 868 B10R1.2 COc1cccc(c1I)O MB14766 [0,0,1,1,0,0|1,0,1]=4 869 B10R1.2 COc1cccc(c1N)O MB12204 [0,0,1,1,0,0|1,0,1]=4 870 B10R1.2 COc1cccc(c1O)Br PB18847 [0,0,1,1,0,0|2,0,0]=4 871 B10R1.2 COc1cccc(c1O)Cl MB25402 [0,0,1,1,0,0|2,0,0]=4 872 B10R1.2 COc1cccc(c1O)I MB09225 [0,0,1,1,0,0|2,0,0]=4 873 B10R1.2 COc1cccc(c1O)N MB25613 [0,0,1,1,0,0|2,0,0]=4 874 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,0,1,1,0,0|0,0,2]=4 875 B10R1.2 Cc1cccc(c1N)OC AB02877 [0,0,1,1,0,0|2,0,0]=4 876 B12R2.9 c1cc(ncc1C=O)C2CC2 AB71851 [0,1,0,1,0,0|2,0,0]=4 877 B12R2.44 C#Cc1ccc2c(c1)OCO2 AB42394 [0,1,0,1,0,0|1,0,1]=4 878 B12R2.44 COC1=CC2C=CN=C2C=C1 AB00488 [0,1,0,1,0,0|1,0,1]=4 879 B12R2.44 COc1ccc2c(c1)CNC2 AB30381 [0,1,0,1,0,0|1,0,1]=4 880 B12R2.44 COc1ccc2c(c1)N=CC2 AB01327 [0,1,0,1,0,0|1,0,0]=3 881 B12R2.44 COc1ccc2c(c1)N=NC2 PB23628 [0,1,0,1,0,0|1,0,1]=4 882 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [0,1,0,1,0,0|1,0,1]=4 883 B12R2.44 COc1ccc2c(c1)scn2 AB10586 [0,1,0,1,0,0|0,1,0]=3 884 B12R2.44 COc1ccc2c(n1)N=CC2 PB18740 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.44 c1c(cnc2=NCC=c21)C=O PB31050 [0,1,0,1,0,0|2,0,0]=4 886 B12R2.44 c1c(cnc2c1CCN2)C=O AB26247 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.44 c1c(cnc2c1OCO2)C=O AB66663 [0,1,0,1,0,0|1,0,0]=3 888 B12R2.44 c1c2=CCN=c2cnc1C=O AB59848 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.44 c1c2c(cnc1C=O)N=NC2 AB66621 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [0,1,0,1,0,0|1,0,1]=4 891 B12R2.44 c1cc2c(cc1C=O)CCO2 AB02770 [0,1,0,1,0,0|0,0,0]=2 892 B12R2.44 c1cc2c(cc1C=O)cno2 AB70274 [0,1,0,1,0,0|0,0,1]=3 893 B12R2.44 c1cc2c(cc1CCl)CCO2 MB07132 [0,1,0,1,0,0|1,0,1]=4 894 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,1,0,1,0,0|0,0,1]=3 895 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [0,1,0,1,0,0|0,1,1]=4 896 B8R1.1 CC1=CN=C(C1)C=O AB43814 [1,0,0,0,1,0|1,0,1]=4 897 B8R1.1 CC1=NC(=CC1)C=O AB43978 [1,0,0,0,1,0|1,0,1]=4 898 B8R1.1 COC1=CC(=O)NC1 AB02829 [1,0,0,0,1,0|1,0,1]=4 899 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [1,0,0,0,1,0|2,0,0]=4 900 B8R1.1 Cc1cc(on1)C=O CB11269 [1,0,0,0,1,0|2,0,0]=4 901 B8R1.1 Cc1ccc(s1)C=O AB00417 [1,0,0,0,1,0|1,0,0]=3 902 B8R1.1 Cc1cnc(s1)C=O AB43202 [1,0,0,0,1,0|2,0,0]=4 903 B8R1.1 Cc1coc(n1)C=O PB28183 [1,0,0,0,1,0|2,0,0]=4 904 B8R1.1 Cc1csc(n1)C=O PB14084 [1,0,0,0,1,0|2,0,0]=4 905 B8R1.1 Cc1nc(co1)C=O AB13940 [1,0,0,0,1,0|2,0,0]=4 906 B8R1.1 Cc1nc(cs1)C=O AB25415 [1,0,0,0,1,0|2,0,0]=4 907 B8R1.1 Cc1ncc(o1)C=O AB27658 [1,0,0,0,1,0|2,0,0]=4 908 B8R1.1 Cc1ncc(s1)C=O CB11336 [1,0,0,0,1,0|2,0,0]=4 909 B8R1.1 Cn1cc(cn1)C=O PB23185 [1,0,0,0,1,0|2,0,0]=4 910 B8R1.1 Cn1cc(nc1)C=O PB24797 [1,0,0,0,1,0|2,0,0]=4 911 B8R1.1 Cn1ccc(n1)C=O AB14508 [1,0,0,0,1,0|2,0,0]=4 912 B8R1.1 c1c(csc1Br)C=O PB31345 [1,0,0,0,1,0|2,0,0]=4 913 B8R1.1 c1c(csc1C=O)Br PB24526 [1,0,0,0,1,0|2,0,0]=4 914 B8R1.1 c1c(csc1C=O)Cl PB20572 [1,0,0,0,1,0|2,0,0]=4 915 B8R1.1 c1c(csc1Cl)C=O PB18241 [1,0,0,0,1,0|2,0,0]=4 916 B8R1.1 c1cc(sc1C=O)Br PB32069 [1,0,0,0,1,0|2,0,0]=4 917 B8R1.1 c1cc(sc1C=O)Cl PB17085 [1,0,0,0,1,0|2,0,0]=4 918 B10R1.172 C#Cc1cc(cnc1)C=O AB63411 [0,0,0,0,1,1|1,0,1]=4 919 B10R1.172 C#Cc1cccc(c1)C=O AB23573 [0,0,0,0,1,1|1,0,1]=4 920 B10R1.172 C#Cc1ccnc(c1)C=O AB69038 [0,0,0,0,1,1|1,0,1]=4 921 B10R1.172 CNc1ccnc(c1)OC AB60615 [0,0,0,0,1,1|2,0,0]=4 922 B10R1.172 COc1cc(ccn1)C#C AB68333 [0,0,0,0,1,1|1,0,1]=4 923 B10R1.172 COc1cc(ccn1)C#N PB24932 [0,0,0,0,1,1|1,0,1]=4 924 B10R1.172 COc1cc(ccn1)C=O PB32415 [0,0,0,0,1,1|0,0,0]=2 925 B10R1.172 COc1cc(ccn1)CCl AB59894 [0,0,0,0,1,1|1,0,1]=4 926 B10R1.172 COc1cc(ccn1)CN PB12590 [0,0,0,0,1,1|1,0,1]=4 927 B10R1.172 COc1cc(ccn1)CO PB12206 [0,0,0,0,1,1|0,0,2]=4 928 B10R1.172 COc1cc(cnc1)C#C AB63414 [0,0,0,0,1,1|1,0,1]=4 929 B10R1.172 COc1cc(cnc1)C=O PB23495 [0,0,0,0,1,1|0,0,0]=2 930 B10R1.172 COc1cc(cnc1)CCl AB67553 [0,0,0,0,1,1|1,0,1]=4 931 B10R1.172 COc1cc(cnc1)CN PB36726 [0,0,0,0,1,1|1,0,1]=4 932 B10R1.172 COc1cc(cnc1)CO PB11991 [0,0,0,0,1,1|0,0,2]=4 933 B10R1.172 COc1cccc(c1)C#C AB04227 [0,0,0,0,1,1|1,0,1]=4 934 B10R1.172 COc1cccc(c1)C#N AB00159 [0,0,0,0,1,1|1,0,1]=4 935 B10R1.172 COc1cccc(c1)C=O AB00318 [0,0,0,0,1,1|0,0,0]=2 936 B10R1.172 COc1cccc(n1)C=O AB22243 [0,0,0,0,1,1|1,0,0]=3 937 B10R1.172 COc1ccnc(c1)C=O AB43663 [0,0,0,0,1,1|0,0,0]=2 938 B10R1.172 COc1ccnc(c1)CCl AB42302 [0,0,0,0,1,1|1,0,1]=4 939 B10R1.172 COc1ccnc(c1)CCl MB05825 [0,0,0,0,1,1|1,0,1]=4 940 B10R1.172 COc1ccnc(c1)CN AB63680 [0,0,0,0,1,1|1,0,1]=4 941 B10R1.172 COc1ccnc(c1)CO AB42298 [0,0,0,0,1,1|0,0,2]=4 942 B10R1.172 COc1cncc(n1)C=O AB73162 [0,0,0,0,1,1|1,0,0]=3 943 B10R1.172 COc1nccc(n1)C=O AB44816 [0,0,0,0,1,1|1,0,0]=3 944 B10R1.172 CSc1nccc(n1)C=O PB17294 [0,0,0,0,1,1|1,1,0]=4 945 B10R1.172 c1c(cncc1C#N)C=O AB31380 [0,0,0,0,1,1|2,0,0]=4 946 B10R1.172 c1c(cncc1C=O)CCl AB69676 [0,0,0,0,1,1|2,0,0]=4 947 B10R1.172 c1c(cncc1C=O)CN AB31382 [0,0,0,0,1,1|2,0,0]=4 948 B10R1.172 c1cnc(cc1C=O)C#N AB24814 [0,0,0,0,1,1|2,0,0]=4 949 B10R1.172 c1cnc(cc1C=O)CN AB31349 [0,0,0,0,1,1|2,0,0]=4