0 B8R1.2 C#Cc1ccccn1 PB17077 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 C#Cc1cccnc1 PB29186 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C#Cc1cccnn1 PB34819 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.2 C#Cc1ccncn1 AB69106 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C#Cc1cnccn1 PB18058 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.2 C#Cc1cncnc1 PB12263 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.2 C#Cc1ncccn1 AB61370 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 CNc1cccnc1 AB09114 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 CNc1ccncn1 AB60623 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 CNc1cncnc1 AB60774 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 CNc1ncccn1 AB05135 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 COC1=CCOCC1 PB24535 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.2 COc1cccnc1 AB06864 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.2 COc1cccnn1 AB05130 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 COc1ccnnc1 AB44150 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.2 c1c(cncn1)C#N PB29060 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 c1c(cncn1)C=O PB32342 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 c1c(cncn1)CCl PB31962 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 c1c(cncn1)CCl PB34530 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 c1c(cncn1)CN PB26277 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 c1c(cncn1)CO PB18631 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.2 c1c(cncn1)NN PB30357 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.2 c1cc(cnc1)C=O AB00744 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.2 c1cc(cnc1)CCl AB01984 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.2 c1cc(cnc1)CN AB00752 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.2 c1cc(cnc1)NN AB42924 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.2 c1cc(cnc1)NN PB18886 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.2 c1cc(nnc1)C#N PB19049 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.2 c1cc(nnc1)C=O PB20119 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.2 c1cc(nnc1)CCl PB28814 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.2 c1cc(nnc1)CN PB29341 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.2 c1cc(nnc1)CO PB30818 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.2 c1ccnc(c1)C=O AB00680 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.2 c1ccnc(c1)CBr MB02148 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.2 c1ccnc(c1)CCl AB22495 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.2 c1ccnc(c1)CN AB00731 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.2 c1cnc(cn1)C#N AB02102 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.2 c1cnc(cn1)C=O PB19982 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.2 c1cnc(cn1)CCl PB20483 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.2 c1cnc(cn1)CN PB14180 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.2 c1cnc(cn1)CO PB21779 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.2 c1cnc(cn1)NN PB12798 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.2 c1cnc(nc1)C#N PB27459 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.2 c1cnc(nc1)C=O PB34235 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.2 c1cnc(nc1)CCl PB20403 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.2 c1cnc(nc1)CN CB11589 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.2 c1cnc(nc1)CN PB23443 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.2 c1cnc(nc1)CO PB12410 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.2 c1cnc(nc1)NN PB10192 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.2 c1cnccc1ON AB31585 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.2 c1cncnc1C=O AB16150 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.2 c1cncnc1CCl AB58895 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.2 c1cncnc1CN PB10439 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.2 c1cncnc1CO PB12296 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.2 c1cnncc1C#N PB16131 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.2 c1cnncc1C=O PB17346 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.2 c1cnncc1CN PB31361 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.2 c1cnncc1CO PB26178 [0,0,0,0,0,0|4,0,0]=4 58 B7R1.3 Cc1cccnn1 PB33649 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 Cc1ccncn1 PB17038 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 Cc1ccnnc1 PB24546 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 Cc1nccnn1 AB55984 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.3 c1c(cncn1)Br PB28945 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.3 c1c(cncn1)Cl AB16528 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.3 c1c(cncn1)N PB12745 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.3 c1c(cncn1)O PB27730 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.3 c1cc(cnc1)Br AB00739 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.3 c1cc(cnc1)I AB01382 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.3 c1cc(cnc1)[O-] MB00567 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.3 c1cc(nnc1)Br MB08580 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.3 c1cc(nnc1)Cl AB30021 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.3 c1cc(nnc1)Cl PB34726 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.3 c1cc(nnc1)N PB17217 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.3 c1cc(nnc1)O PB32258 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 c1ccnc(c1)Br AB00627 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 c1cnc(cn1)Br MB06072 [1,0,0,0,0,0|1,0,0]=2 76 B7R1.3 c1cnc(cn1)I AB08841 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.3 c1cnc(cn1)N PB30528 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.3 c1cnc(cn1)O AB05056 [1,0,0,0,0,0|0,0,0]=1 79 B7R1.3 c1cnc(nc1)Cl AB00572 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.3 c1cnc(nc1)N MB00175 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.3 c1cnccc1O PB17041 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.3 c1cncnc1Br PB10690 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.3 c1cncnc1Cl AB43600 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.3 c1cncnc1Cl PB13479 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.3 c1cncnc1N PB11581 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.3 c1cncnc1O PB32093 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 c1cnnc(n1)Cl AB72415 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.3 c1cnnc(n1)N AB00769 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.3 c1cnncc1Br AB48350 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.3 c1cnncc1Cl AB50535 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 c1cnncc1I AB70137 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.3 c1cnncc1N PB29051 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.3 c1cnncc1N PB39062 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 C#Cc1ccc(cn1)Br AB13647 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.1 C#Cc1ccc(cn1)Cl AB68972 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.1 C#Cc1ccc(nc1)Br AB68991 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.1 C#Cc1ccc(nc1)Cl AB61374 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.1 C#Cc1ccc(nc1)F AB66584 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.1 C#Cc1ccc(nc1)N AB66565 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.1 C#Cc1ccc(nc1)O AB69001 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.1 C#Cc1cnc(cn1)Br AB63400 [0,1,0,0,0,0|1,0,1]=3 102 B9R1.1 C#Cc1cnc(cn1)Cl AB69152 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.1 C#Cc1cnc(cn1)F AB85723 [0,1,0,0,0,0|1,0,1]=3 104 B9R1.1 C1C(=O)N=CC(=N1)C=O AB60510 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.1 CCc1ccc(cn1)N AB63590 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.1 CCc1ccc(cn1)O MB03842 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.1 CCc1cnc(cn1)Br AB64001 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.1 CCc1cnc(cn1)Cl AB73111 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.1 CCc1cnc(cn1)N AB60527 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.1 CCc1cnc(nc1)Cl PB27514 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.1 CCc1cnc(nc1)N AB51220 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.1 CCc1ncc(cn1)N PB12017 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.1 CNc1ccc(cn1)Br AB44353 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.1 CNc1ccc(cn1)Cl AB07756 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.1 CNc1ccc(cn1)O AB69733 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.1 CNc1ccc(nc1)Br MB01005 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.1 CNc1ccc(nc1)Cl AB60605 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.1 CNc1cnc(cn1)Br MB08140 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.1 CNc1cnc(nc1)Br MB14146 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.1 CNc1ncc(cn1)Br AB31940 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.1 CNc1ncc(cn1)Cl AB58660 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.1 COc1ccc(cn1)Br AB08771 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.1 COc1ccc(cn1)Cl AB23682 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.1 COc1ccc(cn1)F AB13611 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.1 COc1ccc(cn1)N PB27370 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.1 COc1ccc(cn1)O CB10969 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.1 COc1ccc(nc1)Br PB22062 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.1 COc1ccc(nc1)Cl AB25956 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.1 COc1ccc(nc1)F AB66773 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.1 COc1ccc(nc1)I AB11726 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.1 COc1ccc(nc1)N PB14487 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.1 COc1ccc(nn1)Cl PB28962 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.1 COc1ccc(nn1)I AB59856 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.1 COc1ccc(nn1)N PB23243 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.1 COc1cnc(cn1)Br PB10528 [0,1,0,0,0,0|0,0,0]=1 139 B9R1.1 COc1cnc(cn1)Cl PB22219 [0,1,0,0,0,0|0,0,0]=1 140 B9R1.1 COc1cnc(cn1)I AB75719 [0,1,0,0,0,0|0,0,0]=1 141 B9R1.1 COc1cnc(cn1)N PB26534 [0,1,0,0,0,0|0,0,0]=1 142 B9R1.1 COc1cnc(nc1)Br PB21090 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.1 COc1cnc(nc1)Cl PB32662 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.1 COc1cnc(nc1)N PB30618 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.1 COc1ncc(cn1)Br AB21286 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.1 COc1ncc(cn1)Cl AB42003 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.1 COc1ncc(cn1)N AB43671 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.1 COc1ncc(cn1)O AB58606 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.1 CSc1ccc(cn1)Br AB14151 [0,1,0,0,0,0|1,1,0]=3 150 B9R1.1 CSc1ccc(cn1)O MB25590 [0,1,0,0,0,0|1,1,0]=3 151 B9R1.1 CSc1ccc(nc1)Br MB03440 [0,1,0,0,0,0|1,1,0]=3 152 B9R1.1 CSc1cnc(cn1)Br MB07628 [0,1,0,0,0,0|0,1,0]=2 153 B9R1.1 CSc1cnc(cn1)N AB43836 [0,1,0,0,0,0|0,1,0]=2 154 B9R1.1 CSc1ncc(cn1)Br AB04480 [0,1,0,0,0,0|2,1,0]=4 155 B9R1.1 CSc1ncc(cn1)Cl AB06339 [0,1,0,0,0,0|2,1,0]=4 156 B9R1.1 CSc1ncc(cn1)N AB58989 [0,1,0,0,0,0|2,1,0]=4 157 B9R1.1 CSc1ncc(cn1)O AB04983 [0,1,0,0,0,0|2,1,0]=4 158 B9R1.1 Cc1ccc(cn1)C#N PB30561 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.1 Cc1ccc(cn1)C=C PB17233 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.1 Cc1ccc(cn1)CCl AB59938 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.1 Cc1ccc(cn1)CN PB20145 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.1 Cc1ccc(cn1)NN PB15841 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.1 Cc1ccc(cn1)OC AB52739 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.1 Cc1ccc(nn1)OC AB51434 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.1 Cc1cnc(cn1)C#N AB20698 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.1 Cc1cnc(cn1)C=O PB23818 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.1 Cc1cnc(cn1)CCl PB10823 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.1 Cc1cnc(cn1)CN PB33936 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.1 c1c(ncc(n1)Br)C#N PB17693 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.1 c1c(ncc(n1)Cl)C#N PB18987 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.1 c1c(ncc(n1)Cl)CCl AB60493 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.1 c1c(ncc(n1)Cl)NN PB28798 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.1 c1c(ncc(n1)I)C#N AB70240 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.1 c1c(ncc(n1)N)C#N PB22136 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.1 c1cc(ncc1Br)C#N PB21694 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.1 c1cc(ncc1Br)C=O PB30785 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.1 c1cc(ncc1C#N)Br AB05142 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.1 c1cc(ncc1C#N)Cl AB03166 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.1 c1cc(ncc1C#N)F PB16124 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.1 c1cc(ncc1C#N)O PB17354 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.1 c1cc(ncc1C=O)Br PB27654 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.1 c1cc(ncc1C=O)F PB23560 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.1 c1cc(ncc1C=O)N PB19003 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.1 c1cc(ncc1CBr)F PB28287 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.1 c1cc(ncc1CCl)Br AB59933 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.1 c1cc(ncc1CCl)F PB13291 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.1 c1cc(ncc1CCl)N AB59930 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.1 c1cc(ncc1CN)Br AB27793 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.1 c1cc(ncc1CN)Cl PB17175 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.1 c1cc(ncc1CN)F PB19133 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.1 c1cc(ncc1CO)Br PB14409 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.1 c1cc(ncc1CO)Cl PB17199 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.1 c1cc(ncc1CO)F PB14327 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.1 c1cc(ncc1CO)N PB26211 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.1 c1cc(ncc1F)C#N AB48767 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.1 c1cc(ncc1F)C=O AB42648 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.1 c1cc(ncc1F)CN AB60189 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.1 c1cc(ncc1F)CO PB22210 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.1 c1cc(ncc1I)C#N MB08761 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.1 c1cc(ncc1N)C#N PB14307 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.1 c1cc(ncc1N)C=O AB67740 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.1 c1cc(ncc1N)CN AB23447 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.1 c1cc(ncc1N)CO AB31872 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.1 c1cc(ncc1O)C#N PB12442 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.1 c1cc(ncc1O)C=O AB59867 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.1 c1cc(ncc1O)CN MB14856 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.2 C#Cc1cc(ccn1)Br AB68985 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.2 C#Cc1cc(ccn1)Cl AB68983 [0,1,0,0,0,0|2,0,1]=4 229 B9R1.2 C#Cc1cc(cnc1)Br AB61376 [0,1,0,0,0,0|2,0,1]=4 230 B9R1.2 C#Cc1cc(cnc1)Cl AB52703 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.2 C#Cc1cc(cnc1)F AB66583 [0,1,0,0,0,0|2,0,1]=4 232 B9R1.2 C#Cc1cc(cnc1)N AB71894 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.2 C#Cc1cccc(n1)Br AB68980 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.2 C#Cc1cccc(n1)Cl AB68981 [0,1,0,0,0,0|2,0,1]=4 235 B9R1.2 C#Cc1cncc(n1)Cl AB69154 [0,1,0,0,0,0|1,0,1]=3 236 B9R1.2 C=Cc1cccc(n1)Br AB74634 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.2 CCc1cc(ccn1)O MB11624 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.2 CCc1cc(cnc1)O MB12329 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.2 CCc1cc(ncn1)Br MB09510 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.2 CCc1cc(ncn1)Cl AB51253 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.2 CCc1cc(ncn1)N AB54955 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.2 CCc1cc(ncn1)O AB54953 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.2 CCc1nccc(n1)Cl AB51249 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.2 CNc1cc(ccn1)Br MB07801 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.2 CNc1cc(ccn1)O MB29569 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.2 CNc1cc(cnc1)Br MB13417 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.2 CNc1cc(cnc1)O MB32689 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.2 CNc1cc(ncn1)Br MB14299 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.2 CNc1cc[nH]c(=O)n1 AB60627 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.2 CNc1cccc(c1)O MB25493 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.2 CNc1cccc(n1)Br AB50070 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.2 CNc1ccnc(n1)Br MB14143 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.2 CNc1ccnc(n1)Cl AB49666 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.2 CNc1cncc(n1)Cl MB07975 [0,1,0,0,0,0|1,0,0]=2 259 B9R1.2 CNc1nccc(n1)Br MB13471 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.2 CNc1nccc(n1)Cl AB52980 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.2 COC1=CN=NC(=O)C1 AB22384 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.2 COc1cc(ccn1)Br AB44876 [0,1,0,0,0,0|1,0,0]=2 263 B9R1.2 COc1cc(ccn1)Cl AB27571 [0,1,0,0,0,0|1,0,0]=2 264 B9R1.2 COc1cc(ccn1)F AB53299 [0,1,0,0,0,0|1,0,0]=2 265 B9R1.2 COc1cc(ccn1)I MB06098 [0,1,0,0,0,0|1,0,0]=2 266 B9R1.2 COc1cc(ccn1)N PB20942 [0,1,0,0,0,0|1,0,0]=2 267 B9R1.2 COc1cc(ccn1)O MB11972 [0,1,0,0,0,0|1,0,0]=2 268 B9R1.2 COc1cc(cnc1)Br PB24634 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.2 COc1cc(cnc1)Cl AB55073 [0,1,0,0,0,0|1,0,0]=2 270 B9R1.2 COc1cc(cnc1)F AB66777 [0,1,0,0,0,0|1,0,0]=2 271 B9R1.2 COc1cc(cnc1)I AB43793 [0,1,0,0,0,0|1,0,0]=2 272 B9R1.2 COc1cc(cnc1)N PB12653 [0,1,0,0,0,0|1,0,0]=2 273 B9R1.2 COc1cc(cnc1)N PB25488 [0,1,0,0,0,0|1,0,0]=2 274 B9R1.2 COc1cc(cnc1)O AB29711 [0,1,0,0,0,0|1,0,0]=2 275 B9R1.2 COc1cc(cnn1)N AB76247 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.2 COc1cc(ncn1)Br MB14215 [0,1,0,0,0,0|2,0,0]=3 277 B9R1.2 COc1cc(ncn1)Cl AB23017 [0,1,0,0,0,0|2,0,0]=3 278 B9R1.2 COc1cc(ncn1)N PB30606 [0,1,0,0,0,0|2,0,0]=3 279 B9R1.2 COc1cc(nnc1)Cl PB27887 [0,1,0,0,0,0|2,0,0]=3 280 B9R1.2 COc1cccc(n1)Cl AB00671 [0,1,0,0,0,0|1,0,0]=2 281 B9R1.2 COc1cccc(n1)F AB55818 [0,1,0,0,0,0|1,0,0]=2 282 B9R1.2 COc1cccc(n1)I AB31101 [0,1,0,0,0,0|1,0,0]=2 283 B9R1.2 COc1cccc(n1)N AB21183 [0,1,0,0,0,0|1,0,0]=2 284 B9R1.2 COc1cccc(n1)O AB31854 [0,1,0,0,0,0|1,0,0]=2 285 B9R1.2 COc1ccnc(c1)Br AB23696 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.2 COc1ccnc(c1)Cl AB10868 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.2 COc1ccnc(c1)F AB66367 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.2 COc1ccnc(c1)N AB41933 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.2 COc1ccnc(n1)Br MB07472 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.2 COc1cncc(n1)Cl PB29367 [0,1,0,0,0,0|0,0,0]=1 291 B9R1.2 COc1cncc(n1)N AB54770 [0,1,0,0,0,0|0,0,0]=1 292 B9R1.2 COc1cnnc(n1)Cl AB71503 [0,1,0,0,0,0|1,0,0]=2 293 B9R1.2 COc1nccc(n1)Br AB54361 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.2 COc1nccc(n1)Cl AB49109 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.2 COc1nccc(n1)N PB29013 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [0,1,0,0,0,0|2,1,0]=4 297 B9R1.2 CSc1cc(ccn1)Br MB09718 [0,1,0,0,0,0|1,1,0]=3 298 B9R1.2 CSc1cc(ccn1)O MB36936 [0,1,0,0,0,0|1,1,0]=3 299 B9R1.2 CSc1cc(cnc1)Br MB06469 [0,1,0,0,0,0|1,1,0]=3 300 B9R1.2 CSc1cc(cnc1)O MB28894 [0,1,0,0,0,0|1,1,0]=3 301 B9R1.2 CSc1cc(ncn1)Br MB14195 [0,1,0,0,0,0|2,1,0]=4 302 B9R1.2 CSc1cccc(n1)Br MB07302 [0,1,0,0,0,0|1,1,0]=3 303 B9R1.2 CSc1ccnc(n1)Br MB14073 [0,1,0,0,0,0|2,1,0]=4 304 B9R1.2 CSc1cnnc(n1)Cl AB71510 [0,1,0,0,0,0|1,1,0]=3 305 B9R1.2 CSc1nccc(n1)Br AB54070 [0,1,0,0,0,0|2,1,0]=4 306 B9R1.2 CSc1nccc(n1)Cl PB10012 [0,1,0,0,0,0|2,1,0]=4 307 B9R1.2 CSc1nccc(n1)I AB08843 [0,1,0,0,0,0|2,1,0]=4 308 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.2 Cc1cc(cnc1)CCl AB55820 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.2 Cc1cc(cnc1)CN AB23459 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.2 Cc1cc(cnc1)OC AB64998 [0,1,0,0,0,0|1,0,0]=2 313 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,1,0,0,0,0|3,0,0]=4 315 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.2 Cc1cccc(n1)NC AB60602 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.2 Cc1ccnc(c1)C#C AB66576 [0,1,0,0,0,0|2,0,1]=4 319 B9R1.2 Cc1ccnc(c1)C#N AB03610 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,1,0,0,0,0|3,0,0]=4 322 B9R1.2 Cc1cncc(n1)C=O AB62637 [0,1,0,0,0,0|2,0,0]=3 323 B9R1.2 Cc1cncc(n1)CCl AB60498 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.2 Cc1cncc(n1)CN AB72296 [0,1,0,0,0,0|2,0,0]=3 325 B9R1.2 c1c(cncc1Br)C#N PB14142 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.2 c1c(cncc1Br)C=O PB10234 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.2 c1c(cncc1Br)CCl AB60029 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.2 c1c(cncc1Br)CCl PB25120 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.2 c1c(cncc1Br)CN PB23445 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.2 c1c(cncc1Br)CO PB29242 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.2 c1c(cncc1Cl)C#N AB14095 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.2 c1c(cncc1Cl)C=O PB29540 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.2 c1c(cncc1Cl)CCl AB60038 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.2 c1c(cncc1Cl)CCl PB33259 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.2 c1c(cncc1Cl)CN AB63152 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.2 c1c(cncc1F)C#N AB49149 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.2 c1c(cncc1F)C=O PB12469 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.2 c1c(cncc1F)CCl PB35002 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.2 c1c(cncc1F)CN PB29533 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.2 c1c(cncc1F)CO PB12255 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.2 c1c(cncc1I)C=O AB45533 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.2 c1c(cncc1I)CCl AB45545 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.2 c1c(cncc1I)CO AB45541 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.2 c1c(cncc1N)C#N AB31378 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.2 c1c(cncc1N)C=O AB67741 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.2 c1c(cncc1N)CN AB31384 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.2 c1c(cncc1N)CO AB31625 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.2 c1c(cncc1O)C#N MB09110 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.2 c1c(cncc1O)C=O AB67779 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.2 c1c(cncc1O)CN MB28837 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [0,1,0,0,0,0|2,0,0]=3 352 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.2 c1c(nc(cn1)Cl)C#N PB26471 [0,1,0,0,0,0|2,0,0]=3 354 B9R1.2 c1c(nc(cn1)Cl)C=O PB16295 [0,1,0,0,0,0|2,0,0]=3 355 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [0,1,0,0,0,0|2,0,0]=3 356 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [0,1,0,0,0,0|2,0,0]=3 357 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.2 c1c(nc(cn1)N)C#N PB28163 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.2 c1cc(nc(c1)Br)C#N PB24633 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.2 c1cc(nc(c1)Br)NN AB51209 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.2 c1cc(nc(c1)Cl)C#N AB05877 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.2 c1cc(nc(c1)F)C#N AB50189 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.2 c1cc(nc(c1)N)C#N AB62904 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.2 c1cc(nc(c1)O)C#N AB62925 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.2 c1cnc(cc1Br)C#N PB29307 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.2 c1cnc(cc1Br)C=O PB10584 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,1,0,0,0,0|3,0,0]=4 383 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.2 c1cnc(cc1Cl)C#N PB32398 [0,1,0,0,0,0|3,0,0]=4 385 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [0,1,0,0,0,0|3,0,0]=4 386 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,1,0,0,0,0|3,0,0]=4 387 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,1,0,0,0,0|3,0,0]=4 388 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,1,0,0,0,0|3,0,0]=4 389 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,1,0,0,0,0|3,0,0]=4 390 B9R1.2 c1cnc(cc1F)C#N AB52749 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.2 c1cnc(cc1F)C=O AB68024 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.2 c1cnc(cc1F)CN AB65162 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.2 c1cnc(cc1N)C#N PB10426 [0,1,0,0,0,0|3,0,0]=4 395 B9R1.2 c1cnc(cc1N)C=O AB68102 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.2 c1cnc(cc1O)C#N MB05241 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.2 c1cnc(cc1O)C=O AB68125 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.2 c1cnc(cc1O)CN MB14853 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.6 B(c1cccnc1)(O)O AB17635 [0,1,0,0,0,0|3,0,0]=4 400 B9R1.6 B(c1cccnc1)(O)O PB14187 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.6 B(c1cnccn1)(O)O AB48451 [0,1,0,0,0,0|2,0,0]=3 402 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,1,0,0,0,0|2,0,1]=4 403 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,1,0,0,0,0|2,0,0]=3 404 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,1,0,0,0,0|2,0,0]=3 405 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.6 CC(=O)c1ccncn1 PB17606 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.6 CC(=O)c1ccnnc1 PB26895 [0,1,0,0,0,0|3,0,0]=4 408 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,1,0,0,0,0|1,0,0]=2 409 B9R1.6 CC(=O)c1cncnc1 PB20327 [0,1,0,0,0,0|3,0,0]=4 410 B9R1.6 CC(=O)c1ncccn1 PB34295 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.6 CC(C)c1ccccn1 PB21659 [0,1,0,0,0,0|2,0,0]=3 412 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.6 CC(c1ccccn1)N AB21604 [0,1,0,0,0,0|2,0,0]=3 414 B9R1.6 CC(c1cccnc1)N AB09764 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.6 CC(c1ccncn1)N PB34498 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.6 CC(c1ccnnc1)N PB22705 [0,1,0,0,0,0|3,0,0]=4 417 B9R1.6 CC(c1cnccn1)N PB14922 [0,1,0,0,0,0|1,0,0]=2 418 B9R1.6 CC(c1cncnc1)N PB22435 [0,1,0,0,0,0|3,0,0]=4 419 B9R1.6 CC(c1ncccn1)N AB59468 [0,1,0,0,0,0|3,0,0]=4 420 B9R1.6 CN(C)c1ncccn1 AB64628 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,1,0,0,0,0|2,0,0]=3 422 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [0,1,0,0,0,0|3,0,0]=4 423 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,1,0,0,0,0|2,0,0]=3 424 B9R1.6 C[C@H](c1cncnc1)N PB28768 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [0,1,0,0,0,0|3,0,0]=4 426 B9R1.6 c1cc(cnc1)C(F)F AB64034 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.6 c1ccnc(c1)C(F)F AB64042 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.6 c1cnc(cn1)C(=N)N AB02172 [0,1,0,0,0,0|2,0,0]=3 432 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,1,0,0,0,0|2,0,0]=3 433 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.8 C#CCc1ccccn1 AB73234 [0,1,0,0,0,0|2,0,1]=4 435 B9R1.8 C#CCc1cccnc1 AB61408 [0,1,0,0,0,0|2,0,1]=4 436 B9R1.8 CNCc1ccccn1 AB10674 [0,1,0,0,0,0|2,0,0]=3 437 B9R1.8 CNCc1cccnc1 AB01384 [0,1,0,0,0,0|2,0,0]=3 438 B9R1.8 CNCc1ccnnc1 PB24326 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.8 CNCc1cnccn1 PB18749 [0,1,0,0,0,0|1,0,0]=2 440 B9R1.8 CNCc1cncnc1 PB33284 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.8 CNCc1ncccn1 PB29842 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.8 c1c(cncn1)CCN AB45406 [0,1,0,0,0,0|3,0,0]=4 443 B9R1.8 c1cc(cnc1)CCN AB04606 [0,1,0,0,0,0|2,0,0]=3 444 B9R1.8 c1cc(cnc1)CNN PB16271 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.8 c1cc(cnc1)N=C=O AB08187 [0,1,0,0,0,0|2,0,1]=4 446 B9R1.8 c1cc(nnc1)CCN AB61130 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,1,0,0,0,0|2,0,1]=4 448 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,1,0,0,0,0|2,0,1]=4 449 B9R1.8 c1ccnc(c1)CCN AB00732 [0,1,0,0,0,0|2,0,0]=3 450 B9R1.8 c1ccnc(c1)CNN PB19014 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.8 c1cnc(cn1)CC#N PB16294 [0,1,0,0,0,0|1,0,1]=3 452 B9R1.8 c1cnc(cn1)CC=O AB57650 [0,1,0,0,0,0|1,0,1]=3 453 B9R1.8 c1cnc(cn1)CCN AB22666 [0,1,0,0,0,0|1,0,0]=2 454 B9R1.8 c1cnc(cn1)CNN PB20222 [0,1,0,0,0,0|2,0,0]=3 455 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [0,1,0,0,0,0|2,0,0]=3 456 B9R1.8 c1cnc(nc1)CCN AB55156 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.8 c1cncnc1CCN PB14818 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.8 c1cnncc1CCN AB62610 [0,1,0,0,0,0|3,0,0]=4 459 B9R1.15 C#Cc1cccnc1Br AB69072 [0,1,0,0,0,0|2,0,1]=4 460 B9R1.15 C#Cc1cccnc1Cl AB69069 [0,1,0,0,0,0|2,0,1]=4 461 B9R1.15 C#Cc1cccnc1N AB66567 [0,1,0,0,0,0|2,0,1]=4 462 B9R1.15 C#Cc1cccnc1O AB69073 [0,1,0,0,0,0|2,0,1]=4 463 B9R1.15 C#Cc1cnccc1Br AB69055 [0,1,0,0,0,0|2,0,1]=4 464 B9R1.15 C#Cc1cnccc1Cl AB69058 [0,1,0,0,0,0|2,0,1]=4 465 B9R1.15 C1=NC(C(=O)N=C1)C#N AB60492 [0,1,0,0,0,0|2,0,1]=4 466 B9R1.15 CCc1c(cccn1)Br AB68544 [0,1,0,0,0,0|2,0,0]=3 467 B9R1.15 CCc1c(cccn1)O MB01433 [0,1,0,0,0,0|2,0,0]=3 468 B9R1.15 CCc1c(cncn1)F PB21906 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.15 CCc1cnccc1Br PB37149 [0,1,0,0,0,0|2,0,0]=3 470 B9R1.15 CCc1cnccc1O MB24095 [0,1,0,0,0,0|2,0,0]=3 471 B9R1.15 CCc1cncnc1Cl AB62552 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.15 CNc1c(nccn1)Cl MB13992 [0,1,0,0,0,0|1,0,0]=2 473 B9R1.15 CNc1cccnc1Br AB39252 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.15 CNc1cnccc1O MB29366 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.15 CNc1cncnc1Cl AB65907 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.15 COc1c(cccn1)Br PB20024 [0,1,0,0,0,0|1,0,0]=2 477 B9R1.15 COc1c(cccn1)Cl AB13603 [0,1,0,0,0,0|1,0,0]=2 478 B9R1.15 COc1c(cccn1)F AB13397 [0,1,0,0,0,0|1,0,0]=2 479 B9R1.15 COc1c(cccn1)I AB13400 [0,1,0,0,0,0|1,0,0]=2 480 B9R1.15 COc1c(cccn1)N AB07386 [0,1,0,0,0,0|1,0,0]=2 481 B9R1.15 COc1c(cccn1)O AB06074 [0,1,0,0,0,0|1,0,0]=2 482 B9R1.15 COc1c(nccn1)Cl MB02506 [0,1,0,0,0,0|0,0,0]=1 483 B9R1.15 COc1c(nccn1)N AB22450 [0,1,0,0,0,0|0,0,0]=1 484 B9R1.15 COc1cccnc1Br PB29151 [0,1,0,0,0,0|1,0,0]=2 485 B9R1.15 COc1cccnc1Cl AB14749 [0,1,0,0,0,0|1,0,0]=2 486 B9R1.15 COc1cccnc1I AB05182 [0,1,0,0,0,0|1,0,0]=2 487 B9R1.15 COc1cccnc1N AB40614 [0,1,0,0,0,0|1,0,0]=2 488 B9R1.15 COc1cccnc1O AB43293 [0,1,0,0,0,0|1,0,0]=2 489 B9R1.15 COc1ccncc1Br AB22230 [0,1,0,0,0,0|3,0,0]=4 490 B9R1.15 COc1ccncc1Cl AB51203 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.15 COc1ccncc1F AB66775 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.15 COc1ccncc1I AB09106 [0,1,0,0,0,0|3,0,0]=4 493 B9R1.15 COc1ccncc1N AB40817 [0,1,0,0,0,0|3,0,0]=4 494 B9R1.15 COc1ccncc1O MB09117 [0,1,0,0,0,0|3,0,0]=4 495 B9R1.15 COc1cnccc1Br AB43705 [0,1,0,0,0,0|1,0,0]=2 496 B9R1.15 COc1cnccc1Br MB09674 [0,1,0,0,0,0|1,0,0]=2 497 B9R1.15 COc1cnccc1Cl AB66368 [0,1,0,0,0,0|1,0,0]=2 498 B9R1.15 COc1cnccc1F AB66590 [0,1,0,0,0,0|1,0,0]=2 499 B9R1.15 COc1cnccc1N AB55709 [0,1,0,0,0,0|1,0,0]=2 500 B9R1.15 COc1cnccc1O MB25455 [0,1,0,0,0,0|1,0,0]=2 501 B9R1.15 CSc1c(cccn1)O MB01598 [0,1,0,0,0,0|1,1,0]=3 502 B9R1.15 CSc1cccnc1Br MB13966 [0,1,0,0,0,0|1,1,0]=3 503 B9R1.15 CSc1cnccc1O MB31499 [0,1,0,0,0,0|1,1,0]=3 504 B9R1.15 Cc1c(cccn1)C#C AB66573 [0,1,0,0,0,0|2,0,1]=4 505 B9R1.15 Cc1c(cccn1)C#N PB23449 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,1,0,0,0,0|3,0,0]=4 507 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,1,0,0,0,0|3,0,0]=4 508 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,1,0,0,0,0|3,0,0]=4 509 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.15 Cc1c(cccn1)CN AB14093 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.15 Cc1c(cccn1)CO AB01512 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.15 Cc1c(cccn1)OC AB03569 [0,1,0,0,0,0|1,0,0]=2 513 B9R1.15 Cc1c(nccn1)C#N AB48635 [0,1,0,0,0,0|2,0,0]=3 514 B9R1.15 Cc1c(nccn1)C=O PB13166 [0,1,0,0,0,0|2,0,0]=3 515 B9R1.15 Cc1c(nccn1)CCl PB22746 [0,1,0,0,0,0|2,0,0]=3 516 B9R1.15 Cc1c(nccn1)CN PB38635 [0,1,0,0,0,0|2,0,0]=3 517 B9R1.15 Cc1c(nccn1)CO PB22269 [0,1,0,0,0,0|2,0,0]=3 518 B9R1.15 Cc1cccnc1C=O PB14292 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.15 Cc1cccnc1CCl PB32645 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.15 Cc1cccnc1CN AB20671 [0,1,0,0,0,0|3,0,0]=4 521 B9R1.15 Cc1cccnc1CO AB12590 [0,1,0,0,0,0|3,0,0]=4 522 B9R1.15 Cc1cccnc1OC AB31414 [0,1,0,0,0,0|1,0,0]=2 523 B9R1.15 Cc1ccncc1C#C AB66569 [0,1,0,0,0,0|2,0,1]=4 524 B9R1.15 Cc1ccncc1C#N PB24636 [0,1,0,0,0,0|3,0,0]=4 525 B9R1.15 Cc1ccncc1C=O PB23498 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.15 Cc1ccncc1CCl PB22427 [0,1,0,0,0,0|3,0,0]=4 527 B9R1.15 Cc1ccncc1CN PB14440 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.15 Cc1ccncc1CO PB21746 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.15 c1cc(c(nc1)Br)C#N AB05139 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.15 c1cc(c(nc1)C#N)Br PB24769 [0,1,0,0,0,0|3,0,0]=4 536 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.15 c1cc(c(nc1)C#N)F PB17393 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.15 c1cc(c(nc1)C#N)N PB18562 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [0,1,0,0,0,0|3,0,0]=4 541 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [0,1,0,0,0,0|3,0,0]=4 543 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,1,0,0,0,0|3,0,0]=4 552 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,1,0,0,0,0|3,0,0]=4 557 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.15 c1cc(c(nc1)Cl)C#N AB01170 [0,1,0,0,0,0|3,0,0]=4 559 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [0,1,0,0,0,0|3,0,0]=4 560 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,1,0,0,0,0|3,0,0]=4 561 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [0,1,0,0,0,0|3,0,0]=4 563 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,1,0,0,0,0|3,0,0]=4 564 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,1,0,0,0,0|3,0,0]=4 565 B9R1.15 c1cc(c(nc1)N)C#N AB03606 [0,1,0,0,0,0|3,0,0]=4 566 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [0,1,0,0,0,0|3,0,0]=4 567 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,1,0,0,0,0|3,0,0]=4 568 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,1,0,0,0,0|3,0,0]=4 569 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [0,1,0,0,0,0|3,0,0]=4 570 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [0,1,0,0,0,0|3,0,0]=4 571 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [0,1,0,0,0,0|3,0,0]=4 572 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,1,0,0,0,0|3,0,0]=4 573 B9R1.15 c1cnc(c(n1)C#N)Cl PB12144 [0,1,0,0,0,0|2,0,0]=3 574 B9R1.15 c1cnc(c(n1)C#N)N AB10707 [0,1,0,0,0,0|2,0,0]=3 575 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [0,1,0,0,0,0|2,0,0]=3 577 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [0,1,0,0,0,0|2,0,0]=3 579 B9R1.15 c1cnc(c(n1)CN)N AB53146 [0,1,0,0,0,0|2,0,0]=3 580 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [0,1,0,0,0,0|2,0,0]=3 581 B9R1.15 c1cnc(c(n1)NN)Cl PB16012 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.15 c1cncc(c1Br)C#N AB48189 [0,1,0,0,0,0|3,0,0]=4 583 B9R1.15 c1cncc(c1Br)C=O AB25683 [0,1,0,0,0,0|3,0,0]=4 584 B9R1.15 c1cncc(c1Br)C=O AB53933 [0,1,0,0,0,0|3,0,0]=4 585 B9R1.15 c1cncc(c1Br)CCl AB67965 [0,1,0,0,0,0|3,0,0]=4 586 B9R1.15 c1cncc(c1Br)CN AB67954 [0,1,0,0,0,0|3,0,0]=4 587 B9R1.15 c1cncc(c1Cl)C#N AB43637 [0,1,0,0,0,0|3,0,0]=4 588 B9R1.15 c1cncc(c1Cl)C=O AB17590 [0,1,0,0,0,0|3,0,0]=4 589 B9R1.15 c1cncc(c1Cl)CCl AB60091 [0,1,0,0,0,0|3,0,0]=4 590 B9R1.15 c1cncc(c1Cl)CN AB49675 [0,1,0,0,0,0|3,0,0]=4 591 B9R1.15 c1cncc(c1F)C#N AB17580 [0,1,0,0,0,0|3,0,0]=4 592 B9R1.15 c1cncc(c1F)C=O AB32109 [0,1,0,0,0,0|3,0,0]=4 593 B9R1.15 c1cncc(c1F)CCl AB68054 [0,1,0,0,0,0|3,0,0]=4 594 B9R1.15 c1cncc(c1F)CN AB68023 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.15 c1cncc(c1N)C#N AB16952 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.15 c1cncc(c1N)C=O AB12471 [0,1,0,0,0,0|3,0,0]=4 597 B9R1.15 c1cncc(c1N)C=O PB27639 [0,1,0,0,0,0|3,0,0]=4 598 B9R1.15 c1cncc(c1N)CCl AB31893 [0,1,0,0,0,0|3,0,0]=4 599 B9R1.15 c1cncc(c1N)CO PB14435 [0,1,0,0,0,0|3,0,0]=4 600 B9R1.15 c1cncc(c1O)C#N MB01597 [0,1,0,0,0,0|3,0,0]=4 601 B9R1.15 c1cncc(c1O)C=O AB59870 [0,1,0,0,0,0|3,0,0]=4 602 B9R1.15 c1cncc(c1O)CN MB35531 [0,1,0,0,0,0|3,0,0]=4 603 B9R1.15 c1nc(c(nn1)CN)Cl AB85242 [0,1,0,0,0,0|3,0,0]=4 604 B9R1.15 c1nc(c(nn1)Cl)C=O AB72441 [0,1,0,0,0,0|3,0,0]=4 605 B7R0.3 COC(=O)CCC=C AB16906 [0,0,1,0,0,0|2,0,1]=4 606 B7R1.1 C#Cc1nccs1 AB69173 [0,0,0,0,1,0|2,0,1]=4 607 B7R1.1 C1=NC=NC1C=O PB14141 [0,0,0,0,1,0|2,0,1]=4 608 B7R1.1 C1=NC=NC1CBr AB53027 [0,0,0,0,1,0|2,0,1]=4 609 B7R1.1 C1=NC=NC1CCl AB09871 [0,0,0,0,1,0|2,0,1]=4 610 B7R1.1 C1=NC=NC1CCl AB43165 [0,0,0,0,1,0|2,0,1]=4 611 B7R1.1 C1=NC=NC1CN AB09180 [0,0,0,0,1,0|2,0,1]=4 612 B7R1.1 C1=NC=NC1CN MB06927 [0,0,0,0,1,0|2,0,1]=4 613 B7R1.1 C1=NC=NC1CO PB24669 [0,0,0,0,1,0|2,0,1]=4 614 B7R1.1 C1C=C(C=N1)C=O AB15013 [0,0,0,0,1,0|2,0,1]=4 615 B7R1.1 C1C=CN=C1C#N PB21690 [0,0,0,0,1,0|2,0,1]=4 616 B7R1.1 C1C=CN=C1C=O AB00388 [0,0,0,0,1,0|2,0,1]=4 617 B7R1.1 C1C=NC(=N1)C#N PB17552 [0,0,0,0,1,0|2,0,1]=4 618 B7R1.1 C1C=NC(=N1)C#N PB36638 [0,0,0,0,1,0|2,0,1]=4 619 B7R1.1 C1C=NC(=N1)CN PB21839 [0,0,0,0,1,0|2,0,1]=4 620 B7R1.1 C1C=NC(=N1)CO AB23143 [0,0,0,0,1,0|2,0,1]=4 621 B7R1.1 CCC1=CN=CC1 AB31265 [0,0,0,0,1,0|1,0,1]=3 622 B7R1.1 CCC1=NN=CC1 AB65715 [0,0,0,0,1,0|2,0,1]=4 623 B7R1.1 CCn1cncn1 AB31524 [0,0,0,0,1,0|2,0,0]=3 624 B7R1.1 COc1nccs1 AB09330 [0,0,0,0,1,0|1,0,0]=2 625 B7R1.1 CSC1=NC=NC1 CB10764 [0,0,0,0,1,0|0,1,1]=3 626 B7R1.1 c1[nH]nc(n1)C=O AB63486 [0,0,0,0,1,0|3,0,0]=4 627 B7R1.1 c1[nH]nc(n1)CN AB25050 [0,0,0,0,1,0|3,0,0]=4 628 B7R1.1 c1c(con1)C#N MB01145 [0,0,0,0,1,0|3,0,0]=4 629 B7R1.1 c1c(con1)C=O AB11289 [0,0,0,0,1,0|3,0,0]=4 630 B7R1.1 c1c(con1)CN AB28201 [0,0,0,0,1,0|3,0,0]=4 631 B7R1.1 c1c(con1)CN PB34298 [0,0,0,0,1,0|3,0,0]=4 632 B7R1.1 c1c(con1)CO PB14463 [0,0,0,0,1,0|3,0,0]=4 633 B7R1.1 c1c(csn1)C=O AB62620 [0,0,0,0,1,0|3,0,0]=4 634 B7R1.1 c1c(csn1)CCl AB74096 [0,0,0,0,1,0|3,0,0]=4 635 B7R1.1 c1c(csn1)CN AB62615 [0,0,0,0,1,0|3,0,0]=4 636 B7R1.1 c1c(nco1)C#N PB10483 [0,0,0,0,1,0|3,0,0]=4 637 B7R1.1 c1c(nco1)C=O PB23292 [0,0,0,0,1,0|3,0,0]=4 638 B7R1.1 c1c(nco1)CCl AB71585 [0,0,0,0,1,0|3,0,0]=4 639 B7R1.1 c1c(nco1)CN PB29323 [0,0,0,0,1,0|3,0,0]=4 640 B7R1.1 c1c(nco1)CO PB29559 [0,0,0,0,1,0|3,0,0]=4 641 B7R1.1 c1c(ncs1)C=O AB06592 [0,0,0,0,1,0|3,0,0]=4 642 B7R1.1 c1c(ncs1)CCl AB10919 [0,0,0,0,1,0|3,0,0]=4 643 B7R1.1 c1c(ncs1)CN AB27866 [0,0,0,0,1,0|3,0,0]=4 644 B7R1.1 c1c(ncs1)CN PB21996 [0,0,0,0,1,0|3,0,0]=4 645 B7R1.1 c1c(ncs1)CO AB20478 [0,0,0,0,1,0|3,0,0]=4 646 B7R1.1 c1c(ocn1)C#N AB19309 [0,0,0,0,1,0|3,0,0]=4 647 B7R1.1 c1c(ocn1)C=O AB11283 [0,0,0,0,1,0|3,0,0]=4 648 B7R1.1 c1c(ocn1)CCl AB42450 [0,0,0,0,1,0|3,0,0]=4 649 B7R1.1 c1c(ocn1)CN AB30442 [0,0,0,0,1,0|3,0,0]=4 650 B7R1.1 c1c(ocn1)CO PB32681 [0,0,0,0,1,0|3,0,0]=4 651 B7R1.1 c1c(scn1)C=O AB11293 [0,0,0,0,1,0|3,0,0]=4 652 B7R1.1 c1c(scn1)CCl AB64977 [0,0,0,0,1,0|3,0,0]=4 653 B7R1.1 c1c(scn1)CN AB27929 [0,0,0,0,1,0|3,0,0]=4 654 B7R1.1 c1c(scn1)CN PB32316 [0,0,0,0,1,0|3,0,0]=4 655 B7R1.1 c1c(scn1)CO AB20492 [0,0,0,0,1,0|3,0,0]=4 656 B7R1.1 c1cc(oc1)C#N AB00309 [0,0,0,0,1,0|3,0,0]=4 657 B7R1.1 c1cc(oc1)CCl MB06568 [0,0,0,0,1,0|3,0,0]=4 658 B7R1.1 c1cc(sc1)CN PB17027 [0,0,0,0,1,0|3,0,0]=4 659 B7R1.1 c1cc(sc1)CO PB10001 [0,0,0,0,1,0|3,0,0]=4 660 B7R1.1 c1cnoc1CN AB27950 [0,0,0,0,1,0|3,0,0]=4 661 B7R1.1 c1cnoc1CN AB27954 [0,0,0,0,1,0|3,0,0]=4 662 B7R1.1 c1cnoc1CO AB28102 [0,0,0,0,1,0|3,0,0]=4 663 B7R1.1 c1cnsc1C=O AB32448 [0,0,0,0,1,0|3,0,0]=4 664 B7R1.1 c1cnsc1CCl AB70841 [0,0,0,0,1,0|3,0,0]=4 665 B7R1.1 c1cnsc1CN AB70840 [0,0,0,0,1,0|3,0,0]=4 666 B7R1.1 c1coc(n1)C=O AB14413 [0,0,0,0,1,0|3,0,0]=4 667 B7R1.1 c1coc(n1)CCl AB19278 [0,0,0,0,1,0|3,0,0]=4 668 B7R1.1 c1coc(n1)CN AB19275 [0,0,0,0,1,0|3,0,0]=4 669 B7R1.1 c1coc(n1)CN AB28202 [0,0,0,0,1,0|3,0,0]=4 670 B7R1.1 c1coc(n1)CO PB27948 [0,0,0,0,1,0|3,0,0]=4 671 B7R1.1 c1conc1C#N PB32775 [0,0,0,0,1,0|3,0,0]=4 672 B7R1.1 c1conc1C=O PB26237 [0,0,0,0,1,0|3,0,0]=4 673 B7R1.1 c1conc1CCl MB04274 [0,0,0,0,1,0|3,0,0]=4 674 B7R1.1 c1conc1CN PB24935 [0,0,0,0,1,0|3,0,0]=4 675 B7R1.1 c1conc1CO PB15902 [0,0,0,0,1,0|3,0,0]=4 676 B7R1.1 c1csc(n1)C#N PB31375 [0,0,0,0,1,0|3,0,0]=4 677 B7R1.1 c1csc(n1)C=O PB12109 [0,0,0,0,1,0|3,0,0]=4 678 B7R1.1 c1csc(n1)CCl AB42463 [0,0,0,0,1,0|3,0,0]=4 679 B7R1.1 c1csc(n1)CN MB03193 [0,0,0,0,1,0|3,0,0]=4 680 B7R1.1 c1csc(n1)CN PB20005 [0,0,0,0,1,0|3,0,0]=4 681 B7R1.1 c1cscc1C#N PB27442 [0,0,0,0,1,0|3,0,0]=4 682 B7R1.1 c1cscc1C=O PB14065 [0,0,0,0,1,0|3,0,0]=4 683 B7R1.1 c1cscc1CN AB13999 [0,0,0,0,1,0|3,0,0]=4 684 B7R1.1 c1cscc1CN PB12237 [0,0,0,0,1,0|3,0,0]=4 685 B7R1.1 c1cscc1CO PB10036 [0,0,0,0,1,0|3,0,0]=4 686 B7R1.1 c1csnc1CN PB23687 [0,0,0,0,1,0|3,0,0]=4 687 B6R0.1 COC(=O)\C=C\N AB31601 [1,0,1,0,0,0|1,0,1]=4 688 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [1,1,0,0,0,0|2,0,0]=4 689 B8R1.3 Cc1ccc(cn1)Br AB06624 [1,1,0,0,0,0|1,0,0]=3 690 B8R1.3 Cc1ccc(cn1)Cl AB17956 [1,1,0,0,0,0|1,0,0]=3 691 B8R1.3 Cc1ccc(cn1)F PB18589 [1,1,0,0,0,0|1,0,0]=3 692 B8R1.3 Cc1ccc(cn1)N PB32227 [1,1,0,0,0,0|1,0,0]=3 693 B8R1.3 Cc1ccc(cn1)O PB30543 [1,1,0,0,0,0|1,0,0]=3 694 B8R1.3 Cc1ccc(nc1)Br PB17145 [1,1,0,0,0,0|1,0,0]=3 695 B8R1.3 Cc1ccc(nc1)Cl AB07104 [1,1,0,0,0,0|1,0,0]=3 696 B8R1.3 Cc1ccc(nc1)F AB01857 [1,1,0,0,0,0|1,0,0]=3 697 B8R1.3 Cc1ccc(nc1)N AB17938 [1,1,0,0,0,0|1,0,0]=3 698 B8R1.3 Cc1ccc(nc1)O AB13138 [1,1,0,0,0,0|1,0,0]=3 699 B8R1.3 Cc1ccc(nn1)Br PB26503 [1,1,0,0,0,0|2,0,0]=4 700 B8R1.3 Cc1ccc(nn1)Cl PB20885 [1,1,0,0,0,0|2,0,0]=4 701 B8R1.3 Cc1ccc(nn1)I PB11607 [1,1,0,0,0,0|2,0,0]=4 702 B8R1.3 Cc1ccc(nn1)N PB33947 [1,1,0,0,0,0|2,0,0]=4 703 B8R1.3 Cc1cnc(cn1)Br PB27954 [1,1,0,0,0,0|0,0,0]=2 704 B8R1.3 Cc1cnc(cn1)Cl AB02272 [1,1,0,0,0,0|0,0,0]=2 705 B8R1.3 Cc1cnc(cn1)N PB32613 [1,1,0,0,0,0|0,0,0]=2 706 B8R1.3 Cc1cnc(nc1)Cl PB25116 [1,1,0,0,0,0|2,0,0]=4 707 B8R1.3 Cc1cnc(nc1)N AB06143 [1,1,0,0,0,0|2,0,0]=4 708 B8R1.3 Cc1ncc(cn1)Br PB18804 [1,1,0,0,0,0|2,0,0]=4 709 B8R1.3 Cc1ncc(cn1)Cl AB56396 [1,1,0,0,0,0|2,0,0]=4 710 B8R1.3 Cc1ncc(cn1)N PB10666 [1,1,0,0,0,0|2,0,0]=4 711 B8R1.3 Cc1ncc(cn1)O AB54467 [1,1,0,0,0,0|2,0,0]=4 712 B8R1.3 c1c(cnc(n1)Br)O PB31459 [1,1,0,0,0,0|2,0,0]=4 713 B8R1.3 c1c(cnc(n1)Cl)O PB12674 [1,1,0,0,0,0|2,0,0]=4 714 B8R1.3 c1c(cnc(n1)N)O PB32565 [1,1,0,0,0,0|2,0,0]=4 715 B8R1.3 c1c(cnc(n1)O)Br AB05049 [1,1,0,0,0,0|2,0,0]=4 716 B8R1.3 c1c(cnc(n1)O)Cl AB03656 [1,1,0,0,0,0|2,0,0]=4 717 B8R1.3 c1c(ncc(n1)Br)Br PB17488 [1,1,0,0,0,0|1,0,0]=3 718 B8R1.3 c1c(ncc(n1)Br)Cl PB26374 [1,1,0,0,0,0|1,0,0]=3 719 B8R1.3 c1c(ncc(n1)Br)F MB14114 [1,1,0,0,0,0|1,0,0]=3 720 B8R1.3 c1c(ncc(n1)Br)N PB26019 [1,1,0,0,0,0|1,0,0]=3 721 B8R1.3 c1c(ncc(n1)Br)O PB26179 [1,1,0,0,0,0|0,0,0]=2 722 B8R1.3 c1c(ncc(n1)Cl)Cl PB21866 [1,1,0,0,0,0|1,0,0]=3 723 B8R1.3 c1c(ncc(n1)Cl)F AB50800 [1,1,0,0,0,0|1,0,0]=3 724 B8R1.3 c1c(ncc(n1)Cl)N PB14352 [1,1,0,0,0,0|1,0,0]=3 725 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [1,1,0,0,0,0|0,0,0]=2 726 B8R1.3 c1c(ncc(n1)F)F AB85705 [1,1,0,0,0,0|1,0,0]=3 727 B8R1.3 c1c(ncc(n1)I)Br PB27853 [1,1,0,0,0,0|1,0,0]=3 728 B8R1.3 c1c(ncc(n1)I)Cl AB54777 [1,1,0,0,0,0|1,0,0]=3 729 B8R1.3 c1c(ncc(n1)N)N AB53076 [1,1,0,0,0,0|1,0,0]=3 730 B8R1.3 c1c(ncc(n1)O)O AB44015 [1,1,0,0,0,0|0,0,0]=2 731 B8R1.3 c1c(nnc(n1)Cl)Br AB72404 [1,1,0,0,0,0|2,0,0]=4 732 B8R1.3 c1c(nnc(n1)Cl)Cl AB85254 [1,1,0,0,0,0|2,0,0]=4 733 B8R1.3 c1c(nnc(n1)N)Br AB71547 [1,1,0,0,0,0|2,0,0]=4 734 B8R1.3 c1cc(ncc1Br)Br AB00634 [1,1,0,0,0,0|2,0,0]=4 735 B8R1.3 c1cc(ncc1Br)Cl AB08767 [1,1,0,0,0,0|2,0,0]=4 736 B8R1.3 c1cc(ncc1Br)F PB30707 [1,1,0,0,0,0|2,0,0]=4 737 B8R1.3 c1cc(ncc1Br)N PB30536 [1,1,0,0,0,0|2,0,0]=4 738 B8R1.3 c1cc(ncc1Br)O AB05097 [1,1,0,0,0,0|1,0,0]=3 739 B8R1.3 c1cc(ncc1Br)S AB51097 [1,1,0,0,0,0|1,1,0]=4 740 B8R1.3 c1cc(ncc1Cl)Br AB05069 [1,1,0,0,0,0|2,0,0]=4 741 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [1,1,0,0,0,0|2,0,0]=4 742 B8R1.3 c1cc(ncc1Cl)F AB17577 [1,1,0,0,0,0|2,0,0]=4 743 B8R1.3 c1cc(ncc1Cl)I AB32114 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.3 c1cc(ncc1Cl)N AB00712 [1,1,0,0,0,0|2,0,0]=4 745 B8R1.3 c1cc(ncc1F)Br PB17160 [1,1,0,0,0,0|2,0,0]=4 746 B8R1.3 c1cc(ncc1F)I AB42989 [1,1,0,0,0,0|2,0,0]=4 747 B8R1.3 c1cc(ncc1F)N AB10107 [1,1,0,0,0,0|2,0,0]=4 748 B8R1.3 c1cc(ncc1I)Br PB14333 [1,1,0,0,0,0|2,0,0]=4 749 B8R1.3 c1cc(ncc1I)Cl AB10394 [1,1,0,0,0,0|2,0,0]=4 750 B8R1.3 c1cc(ncc1I)N PB25985 [1,1,0,0,0,0|2,0,0]=4 751 B8R1.3 c1cc(ncc1I)O AB05112 [1,1,0,0,0,0|1,0,0]=3 752 B8R1.3 c1cc(ncc1N)Br PB17224 [1,1,0,0,0,0|2,0,0]=4 753 B8R1.3 c1cc(ncc1N)Cl AB00661 [1,1,0,0,0,0|2,0,0]=4 754 B8R1.3 c1cc(ncc1N)F PB33962 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.3 c1cc(ncc1N)O AB15078 [1,1,0,0,0,0|1,0,0]=3 756 B8R1.3 c1cc(ncc1O)Br PB15771 [1,1,0,0,0,0|1,0,0]=3 757 B8R1.3 c1cc(ncc1O)Cl PB32188 [1,1,0,0,0,0|1,0,0]=3 758 B8R1.3 c1cc(ncc1O)F AB08123 [1,1,0,0,0,0|1,0,0]=3 759 B8R1.3 c1cc(ncc1O)I AB50021 [1,1,0,0,0,0|1,0,0]=3 760 B8R1.3 c1cc(ncc1O)N AB15563 [1,1,0,0,0,0|1,0,0]=3 761 B8R1.3 c1cc(nnc1O)Cl PB29050 [1,1,0,0,0,0|2,0,0]=4 762 B8R1.4 Cc1cc(ccn1)Br AB17599 [1,1,0,0,0,0|1,0,0]=3 763 B8R1.4 Cc1cc(ccn1)Br PB26077 [1,1,0,0,0,0|1,0,0]=3 764 B8R1.4 Cc1cc(ccn1)Cl AB01756 [1,1,0,0,0,0|1,0,0]=3 765 B8R1.4 Cc1cc(ccn1)F AB17919 [1,1,0,0,0,0|1,0,0]=3 766 B8R1.4 Cc1cc(ccn1)O PB24839 [1,1,0,0,0,0|1,0,0]=3 767 B8R1.4 Cc1cc(cnc1)Br AB09597 [1,1,0,0,0,0|1,0,0]=3 768 B8R1.4 Cc1cc(cnc1)Cl AB17994 [1,1,0,0,0,0|1,0,0]=3 769 B8R1.4 Cc1cc(cnc1)F AB13643 [1,1,0,0,0,0|1,0,0]=3 770 B8R1.4 Cc1cc(cnc1)N AB17573 [1,1,0,0,0,0|1,0,0]=3 771 B8R1.4 Cc1cc(cnc1)O MB01362 [1,1,0,0,0,0|1,0,0]=3 772 B8R1.4 Cc1cc(cnn1)N MB11385 [1,1,0,0,0,0|2,0,0]=4 773 B8R1.4 Cc1cc(ncn1)C PB24534 [1,1,0,0,0,0|2,0,0]=4 774 B8R1.4 Cc1cc(ncn1)Cl PB29204 [1,1,0,0,0,0|2,0,0]=4 775 B8R1.4 Cc1cc(ncn1)N PB12118 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.4 Cc1cc(nnc1)Cl PB14716 [1,1,0,0,0,0|2,0,0]=4 777 B8R1.4 Cc1cc(nnc1)N AB61142 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.4 Cc1cccc(n1)Br AB01812 [1,1,0,0,0,0|1,0,0]=3 780 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,1,0,0,0,0|1,0,0]=3 781 B8R1.4 Cc1cccc(n1)F AB01860 [1,1,0,0,0,0|1,0,0]=3 782 B8R1.4 Cc1cccc(n1)N AB00717 [1,1,0,0,0,0|1,0,0]=3 783 B8R1.4 Cc1cccc(n1)O AB00679 [1,1,0,0,0,0|1,0,0]=3 784 B8R1.4 Cc1cccc(n1)S AB25230 [1,1,0,0,0,0|1,0,0]=3 785 B8R1.4 Cc1ccnc(c1)Br AB03099 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.4 Cc1ccnc(c1)Cl PB10051 [1,1,0,0,0,0|2,0,0]=4 787 B8R1.4 Cc1ccnc(c1)F AB01854 [1,1,0,0,0,0|2,0,0]=4 788 B8R1.4 Cc1ccnc(c1)N AB00703 [1,1,0,0,0,0|2,0,0]=4 789 B8R1.4 Cc1ccnc(c1)O AB03735 [1,1,0,0,0,0|1,0,0]=3 790 B8R1.4 Cc1ccnc(n1)Cl PB14106 [1,1,0,0,0,0|2,0,0]=4 791 B8R1.4 Cc1ccnc(n1)N MB00179 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.4 Cc1cncc(n1)Br AB48617 [1,1,0,0,0,0|0,0,0]=2 793 B8R1.4 Cc1cncc(n1)Cl AB02267 [1,1,0,0,0,0|0,0,0]=2 794 B8R1.4 Cc1cncc(n1)N AB43812 [1,1,0,0,0,0|0,0,0]=2 795 B8R1.4 Cc1cnnc(n1)Cl AB85248 [1,1,0,0,0,0|1,0,0]=3 796 B8R1.4 Cc1nc(cnn1)Cl AB66817 [1,1,0,0,0,0|1,0,0]=3 797 B8R1.4 Cc1nccc(n1)Cl PB30633 [1,1,0,0,0,0|2,0,0]=4 798 B8R1.4 Cc1nccc(n1)N AB06587 [1,1,0,0,0,0|2,0,0]=4 799 B8R1.4 c1c(cncc1Br)Br AB01172 [1,1,0,0,0,0|2,0,0]=4 800 B8R1.4 c1c(cncc1Br)Cl AB18001 [1,1,0,0,0,0|2,0,0]=4 801 B8R1.4 c1c(cncc1Br)N PB12251 [1,1,0,0,0,0|2,0,0]=4 802 B8R1.4 c1c(cncc1Br)O PB30658 [1,1,0,0,0,0|1,0,0]=3 803 B8R1.4 c1c(cncc1Cl)Cl AB00743 [1,1,0,0,0,0|2,0,0]=4 804 B8R1.4 c1c(cncc1Cl)F AB21896 [1,1,0,0,0,0|2,0,0]=4 805 B8R1.4 c1c(cncc1Cl)N AB15758 [1,1,0,0,0,0|2,0,0]=4 806 B8R1.4 c1c(cncc1F)F AB14383 [1,1,0,0,0,0|2,0,0]=4 807 B8R1.4 c1c(cncc1F)N AB05123 [1,1,0,0,0,0|2,0,0]=4 808 B8R1.4 c1c(cncc1F)O AB13569 [1,1,0,0,0,0|1,0,0]=3 809 B8R1.4 c1c(cncc1I)Br AB13102 [1,1,0,0,0,0|2,0,0]=4 810 B8R1.4 c1c(cncc1I)Cl AB43784 [1,1,0,0,0,0|2,0,0]=4 811 B8R1.4 c1c(cncc1I)F AB45557 [1,1,0,0,0,0|2,0,0]=4 812 B8R1.4 c1c(cncc1I)I PB19957 [1,1,0,0,0,0|2,0,0]=4 813 B8R1.4 c1c(cncc1I)N AB43802 [1,1,0,0,0,0|2,0,0]=4 814 B8R1.4 c1c(cncc1N)N AB07746 [1,1,0,0,0,0|2,0,0]=4 815 B8R1.4 c1c(cncc1O)N AB17983 [1,1,0,0,0,0|1,0,0]=3 816 B8R1.4 c1c(cncc1O)O MB02073 [1,1,0,0,0,0|1,0,0]=3 817 B8R1.4 c1c(cnnc1O)Cl AB61137 [1,1,0,0,0,0|2,0,0]=4 818 B8R1.4 c1c(nc(cn1)Br)Br AB52791 [1,1,0,0,0,0|1,0,0]=3 819 B8R1.4 c1c(nc(cn1)Br)Cl AB48957 [1,1,0,0,0,0|1,0,0]=3 820 B8R1.4 c1c(nc(cn1)Br)F MB14129 [1,1,0,0,0,0|1,0,0]=3 821 B8R1.4 c1c(nc(cn1)Br)N AB60541 [1,1,0,0,0,0|1,0,0]=3 822 B8R1.4 c1c(nc(cn1)Cl)Cl PB14072 [1,1,0,0,0,0|1,0,0]=3 823 B8R1.4 c1c(nc(cn1)Cl)F MB14158 [1,1,0,0,0,0|1,0,0]=3 824 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [1,1,0,0,0,0|1,0,0]=3 825 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [1,1,0,0,0,0|0,0,0]=2 826 B8R1.4 c1c(nc(nn1)Cl)Cl AB65511 [1,1,0,0,0,0|2,0,0]=4 827 B8R1.4 c1c(nc(nn1)Cl)N AB71508 [1,1,0,0,0,0|2,0,0]=4 828 B8R1.4 c1c(ncnc1Cl)O AB05055 [1,1,0,0,0,0|2,0,0]=4 829 B8R1.4 c1c(ncnc1O)N AB02119 [1,1,0,0,0,0|2,0,0]=4 830 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [1,1,0,0,0,0|2,0,0]=4 831 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [1,1,0,0,0,0|2,0,0]=4 832 B8R1.4 c1cc(nc(c1)Br)F AB13626 [1,1,0,0,0,0|2,0,0]=4 833 B8R1.4 c1cc(nc(c1)Br)N PB32140 [1,1,0,0,0,0|2,0,0]=4 834 B8R1.4 c1cc(nc(c1)Br)O AB05100 [1,1,0,0,0,0|1,0,0]=3 835 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [1,1,0,0,0,0|2,0,0]=4 836 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [1,1,0,0,0,0|2,0,0]=4 837 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [1,1,0,0,0,0|2,0,0]=4 838 B8R1.4 c1cc(nc(c1)F)N AB17974 [1,1,0,0,0,0|2,0,0]=4 839 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [1,1,0,0,0,0|2,0,0]=4 840 B8R1.4 c1cc(nc(c1)I)I AB31088 [1,1,0,0,0,0|2,0,0]=4 841 B8R1.4 c1cc(nc(c1)I)N AB42508 [1,1,0,0,0,0|2,0,0]=4 842 B8R1.4 c1cnc(cc1Br)Br PB10210 [1,1,0,0,0,0|2,0,0]=4 843 B8R1.4 c1cnc(cc1Br)Cl AB16617 [1,1,0,0,0,0|2,0,0]=4 844 B8R1.4 c1cnc(cc1Br)F AB17567 [1,1,0,0,0,0|2,0,0]=4 845 B8R1.4 c1cnc(cc1Br)I AB31627 [1,1,0,0,0,0|2,0,0]=4 846 B8R1.4 c1cnc(cc1Br)N PB12936 [1,1,0,0,0,0|2,0,0]=4 847 B8R1.4 c1cnc(cc1Cl)Br PB23373 [1,1,0,0,0,0|2,0,0]=4 848 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [1,1,0,0,0,0|2,0,0]=4 849 B8R1.4 c1cnc(cc1Cl)F AB17564 [1,1,0,0,0,0|2,0,0]=4 850 B8R1.4 c1cnc(cc1Cl)N PB32361 [1,1,0,0,0,0|2,0,0]=4 851 B8R1.4 c1cnc(cc1Cl)O AB13188 [1,1,0,0,0,0|1,0,0]=3 852 B8R1.4 c1cnc(cc1F)Br AB50032 [1,1,0,0,0,0|2,0,0]=4 853 B8R1.4 c1cnc(cc1F)Cl AB17349 [1,1,0,0,0,0|2,0,0]=4 854 B8R1.4 c1cnc(cc1F)F PB26122 [1,1,0,0,0,0|2,0,0]=4 855 B8R1.4 c1cnc(cc1F)N AB50025 [1,1,0,0,0,0|2,0,0]=4 856 B8R1.4 c1cnc(cc1I)Br PB29229 [1,1,0,0,0,0|2,0,0]=4 857 B8R1.4 c1cnc(cc1I)Cl PB17253 [1,1,0,0,0,0|2,0,0]=4 858 B8R1.4 c1cnc(cc1I)F PB12274 [1,1,0,0,0,0|2,0,0]=4 859 B8R1.4 c1cnc(cc1I)N PB10642 [1,1,0,0,0,0|2,0,0]=4 860 B8R1.4 c1cnc(cc1N)Br PB30686 [1,1,0,0,0,0|2,0,0]=4 861 B8R1.4 c1cnc(cc1N)Cl PB24583 [1,1,0,0,0,0|2,0,0]=4 862 B8R1.4 c1cnc(cc1N)F PB21208 [1,1,0,0,0,0|2,0,0]=4 863 B8R1.4 c1cnc(cc1N)O PB15716 [1,1,0,0,0,0|1,0,0]=3 864 B8R1.4 c1cnc(cc1O)Br AB05095 [1,1,0,0,0,0|2,0,0]=4 865 B8R1.4 c1cnc(cc1O)Cl AB09576 [1,1,0,0,0,0|2,0,0]=4 866 B8R1.4 c1cnc(cc1O)F AB17930 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.4 c1cnc(cc1O)I MB26582 [1,1,0,0,0,0|2,0,0]=4 868 B8R1.4 c1cnc(cc1O)N AB17934 [1,1,0,0,0,0|2,0,0]=4 869 B8R1.4 c1cnc(nc1Cl)O AB68453 [1,1,0,0,0,0|2,0,0]=4 870 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [1,1,0,0,0,0|0,0,2]=4 871 B8R1.5 Cc1c(cccn1)Br PB27472 [1,1,0,0,0,0|1,0,0]=3 872 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,1,0,0,0,0|1,0,0]=3 873 B8R1.5 Cc1c(cccn1)F AB48604 [1,1,0,0,0,0|1,0,0]=3 874 B8R1.5 Cc1c(cccn1)N PB33695 [1,1,0,0,0,0|1,0,0]=3 875 B8R1.5 Cc1c(cccn1)O PB18442 [1,1,0,0,0,0|1,0,0]=3 876 B8R1.5 Cc1c(ccnn1)N MB11382 [1,1,0,0,0,0|2,0,0]=4 877 B8R1.5 Cc1c(cncn1)Br PB26552 [1,1,0,0,0,0|2,0,0]=4 878 B8R1.5 Cc1c(cncn1)N PB26435 [1,1,0,0,0,0|2,0,0]=4 879 B8R1.5 Cc1c(nccn1)Br PB10597 [1,1,0,0,0,0|0,0,0]=2 880 B8R1.5 Cc1c(nccn1)Cl PB18413 [1,1,0,0,0,0|0,0,0]=2 881 B8R1.5 Cc1c(nccn1)I PB26409 [1,1,0,0,0,0|0,0,0]=2 882 B8R1.5 Cc1c(nccn1)N PB32667 [1,1,0,0,0,0|0,0,0]=2 883 B8R1.5 Cc1c(nccn1)O PB12942 [1,1,0,0,0,0|0,0,0]=2 884 B8R1.5 Cc1cccnc1Br AB05448 [1,1,0,0,0,0|1,0,0]=3 885 B8R1.5 Cc1cccnc1Cl AB05179 [1,1,0,0,0,0|1,0,0]=3 886 B8R1.5 Cc1cccnc1N AB17908 [1,1,0,0,0,0|1,0,0]=3 887 B8R1.5 Cc1cccnc1O AB03538 [1,1,0,0,0,0|1,0,0]=3 888 B8R1.5 Cc1ccncc1Br AB03104 [1,1,0,0,0,0|2,0,0]=4 889 B8R1.5 Cc1ccncc1Cl AB18019 [1,1,0,0,0,0|2,0,0]=4 890 B8R1.5 Cc1ccncc1F AB18002 [1,1,0,0,0,0|2,0,0]=4 891 B8R1.5 Cc1ccncc1N PB14127 [1,1,0,0,0,0|2,0,0]=4 892 B8R1.5 Cc1ccncc1O PB23391 [1,1,0,0,0,0|1,0,0]=3 893 B8R1.5 Cc1ccnnc1Cl PB34304 [1,1,0,0,0,0|2,0,0]=4 894 B8R1.5 Cc1ccnnc1N MB06298 [1,1,0,0,0,0|2,0,0]=4 895 B8R1.5 Cc1cnccc1Br AB20846 [1,1,0,0,0,0|1,0,0]=3 896 B8R1.5 Cc1cnccc1Br PB23248 [1,1,0,0,0,0|1,0,0]=3 897 B8R1.5 Cc1cnccc1Cl AB11511 [1,1,0,0,0,0|1,0,0]=3 898 B8R1.5 Cc1cnccc1F AB18013 [1,1,0,0,0,0|1,0,0]=3 899 B8R1.5 Cc1cnccc1N PB17234 [1,1,0,0,0,0|1,0,0]=3 900 B8R1.5 Cc1cncnc1Cl AB44072 [1,1,0,0,0,0|2,0,0]=4 901 B8R1.5 Cc1cncnc1N AB54983 [1,1,0,0,0,0|2,0,0]=4 902 B8R1.5 Cc1cncnc1O AB09558 [1,1,0,0,0,0|2,0,0]=4 903 B8R1.5 Cc1cnncc1N MB11384 [1,1,0,0,0,0|2,0,0]=4 904 B8R1.5 c1c(c(ncn1)O)Br PB32183 [1,1,0,0,0,0|2,0,0]=4 905 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [1,1,0,0,0,0|2,0,0]=4 906 B8R1.5 c1c(c(ncn1)O)I PB34035 [1,1,0,0,0,0|2,0,0]=4 907 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,1,0,0,0,0|2,0,0]=4 908 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,1,0,0,0,0|2,0,0]=4 909 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,1,0,0,0,0|2,0,0]=4 910 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,1,0,0,0,0|2,0,0]=4 911 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,1,0,0,0,0|2,0,0]=4 912 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,1,0,0,0,0|2,0,0]=4 913 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,1,0,0,0,0|1,0,0]=3 914 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,1,0,0,0,0|2,0,0]=4 915 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,1,0,0,0,0|2,0,0]=4 916 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,1,0,0,0,0|2,0,0]=4 917 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,1,0,0,0,0|2,0,0]=4 918 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,1,0,0,0,0|2,0,0]=4 919 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,1,0,0,0,0|1,0,0]=3 920 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,1,0,0,0,0|2,0,0]=4 921 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,1,0,0,0,0|2,0,0]=4 922 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,1,0,0,0,0|2,0,0]=4 923 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,1,0,0,0,0|2,0,0]=4 924 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,1,0,0,0,0|2,0,0]=4 925 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,1,0,0,0,0|1,0,0]=3 926 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,1,0,0,0,0|2,0,0]=4 927 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,1,0,0,0,0|2,0,0]=4 928 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,1,0,0,0,0|2,0,0]=4 929 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,1,0,0,0,0|2,0,0]=4 930 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,1,0,0,0,0|1,0,0]=3 931 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,1,0,0,0,0|1,0,0]=3 932 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,1,0,0,0,0|1,1,0]=4 933 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,1,0,0,0,0|1,0,0]=3 934 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,1,0,0,0,0|1,0,0]=3 935 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,1,0,0,0,0|1,0,0]=3 936 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,1,0,0,0,0|1,0,0]=3 937 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [1,1,0,0,0,0|1,0,0]=3 938 B8R1.5 c1cnc(c(n1)N)Br MB08183 [1,1,0,0,0,0|1,0,0]=3 939 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [1,1,0,0,0,0|1,0,0]=3 940 B8R1.5 c1cnc(c(n1)N)N PB10452 [1,1,0,0,0,0|1,0,0]=3 941 B8R1.5 c1cncc(c1Br)Br AB05087 [1,1,0,0,0,0|2,0,0]=4 942 B8R1.5 c1cncc(c1Br)Cl AB17643 [1,1,0,0,0,0|2,0,0]=4 943 B8R1.5 c1cncc(c1Br)F PB23387 [1,1,0,0,0,0|2,0,0]=4 944 B8R1.5 c1cncc(c1Br)N AB17638 [1,1,0,0,0,0|2,0,0]=4 945 B8R1.5 c1cncc(c1Br)O AB13187 [1,1,0,0,0,0|1,0,0]=3 946 B8R1.5 c1cncc(c1Cl)Br AB05074 [1,1,0,0,0,0|2,0,0]=4 947 B8R1.5 c1cncc(c1Cl)Cl AB10192 [1,1,0,0,0,0|2,0,0]=4 948 B8R1.5 c1cncc(c1Cl)F AB15511 [1,1,0,0,0,0|2,0,0]=4 949 B8R1.5 c1cncc(c1Cl)I AB05089 [1,1,0,0,0,0|2,0,0]=4 950 B8R1.5 c1cncc(c1Cl)N AB05299 [1,1,0,0,0,0|2,0,0]=4 951 B8R1.5 c1cncc(c1Cl)O AB12281 [1,1,0,0,0,0|1,0,0]=3 952 B8R1.5 c1cncc(c1F)Br AB17892 [1,1,0,0,0,0|2,0,0]=4 953 B8R1.5 c1cncc(c1F)Cl AB21349 [1,1,0,0,0,0|2,0,0]=4 954 B8R1.5 c1cncc(c1F)F AB18023 [1,1,0,0,0,0|2,0,0]=4 955 B8R1.5 c1cncc(c1F)N AB50028 [1,1,0,0,0,0|2,0,0]=4 956 B8R1.5 c1cncc(c1F)O AB64515 [1,1,0,0,0,0|1,0,0]=3 957 B8R1.5 c1cncc(c1I)F PB21191 [1,1,0,0,0,0|2,0,0]=4 958 B8R1.5 c1cncc(c1I)N PB23406 [1,1,0,0,0,0|2,0,0]=4 959 B8R1.5 c1cncc(c1I)O MB06807 [1,1,0,0,0,0|1,0,0]=3 960 B8R1.5 c1cncc(c1N)Br AB28611 [1,1,0,0,0,0|2,0,0]=4 961 B8R1.5 c1cncc(c1N)Cl AB16891 [1,1,0,0,0,0|2,0,0]=4 962 B8R1.5 c1cncc(c1N)F PB33879 [1,1,0,0,0,0|2,0,0]=4 963 B8R1.5 c1cncc(c1N)I AB12095 [1,1,0,0,0,0|2,0,0]=4 964 B8R1.5 c1cncc(c1O)Br AB09574 [1,1,0,0,0,0|2,0,0]=4 965 B8R1.5 c1cncc(c1O)F AB18011 [1,1,0,0,0,0|2,0,0]=4 966 B8R1.5 c1cnnc(c1Br)O AB77052 [1,1,0,0,0,0|2,0,0]=4 967 B8R1.1 CCC1=NC(=NC1)N AB54794 [0,1,0,0,1,0|1,0,1]=4 968 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [0,1,0,0,1,0|1,0,1]=4 969 B8R1.1 CCc1cnc(o1)N AB64704 [0,1,0,0,1,0|2,0,0]=4 970 B8R1.1 CCc1nc(on1)Cl AB71527 [0,1,0,0,1,0|2,0,0]=4 971 B8R1.1 CCn1cc(cn1)Br AB43826 [0,1,0,0,1,0|2,0,0]=4 972 B8R1.1 CCn1cc(cn1)N PB34103 [0,1,0,0,1,0|2,0,0]=4 973 B8R1.1 CNc1nc(cs1)Br MB14222 [0,1,0,0,1,0|2,0,0]=4 974 B8R1.1 CNc1ncc(s1)Br MB14261 [0,1,0,0,1,0|2,0,0]=4 975 B8R1.1 COC1=CC(=O)NC1 AB02829 [0,1,0,0,1,0|0,0,2]=4 976 B8R1.1 COC1=NN=C(C1)N PB13773 [0,1,0,0,1,0|1,0,1]=4 977 B8R1.1 COC1=NN=C(C1)N PB32996 [0,1,0,0,1,0|1,0,1]=4 978 B8R1.1 COc1cnc(s1)N AB09307 [0,1,0,0,1,0|1,0,0]=3 979 B8R1.1 COc1nc(cs1)Br AB42965 [0,1,0,0,1,0|1,0,0]=3 980 B8R1.1 COc1ncc(s1)Br MB06715 [0,1,0,0,1,0|1,0,0]=3 981 B8R1.1 CSc1[nH]nc(n1)N MB00152 [0,1,0,0,1,0|1,1,0]=4 982 B8R1.1 CSc1nc(ns1)Br CB10626 [0,1,0,0,1,0|1,1,0]=4 983 B8R1.1 Cc1cnc(o1)NC AB65971 [0,1,0,0,1,0|2,0,0]=4 984 B8R1.1 Cc1coc(n1)NC AB65967 [0,1,0,0,1,0|2,0,0]=4 985 B8R1.1 Cc1csc(n1)NC AB10516 [0,1,0,0,1,0|2,0,0]=4 986 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,1,0,0,1,0|1,0,1]=4 987 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,1,0,0,1,0|2,0,0]=4 988 B8R1.7 CC(=O)c1cocn1 AB73503 [0,1,0,0,1,0|2,0,0]=4 989 B8R1.7 CC(=O)c1ncco1 AB42105 [0,1,0,0,1,0|2,0,0]=4 990 B8R1.7 CC(c1ccno1)N AB27932 [0,1,0,0,1,0|2,0,0]=4 991 B8R1.7 CC(c1ccoc1)N AB27902 [0,1,0,0,1,0|2,0,0]=4 992 B8R1.7 CC(c1ccoc1)N AB66830 [0,1,0,0,1,0|2,0,0]=4 993 B8R1.7 CC(c1cscn1)N AB27900 [0,1,0,0,1,0|2,0,0]=4 994 B8R1.7 CC(c1nccs1)N AB12719 [0,1,0,0,1,0|2,0,0]=4 995 B8R1.7 C[C@@H](c1nccs1)N AB66719 [0,1,0,0,1,0|2,0,0]=4 996 B8R1.7 C[C@H](c1nccs1)N AB68275 [0,1,0,0,1,0|2,0,0]=4 997 B8R1.8 C1=NC=NC1CCO PB21680 [0,1,0,0,1,0|1,0,1]=4 998 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,1,0,0,1,0|1,0,1]=4 999 B8R1.8 CNCC1=NC=NC1 AB57901 [0,1,0,0,1,0|1,0,1]=4 1000 B8R1.8 CNCc1cccs1 AB13997 [0,1,0,0,1,0|2,0,0]=4 1001 B8R1.8 CNCc1ccno1 AB27949 [0,1,0,0,1,0|2,0,0]=4 1002 B8R1.8 CNCc1ccon1 AB27911 [0,1,0,0,1,0|2,0,0]=4 1003 B8R1.8 CNCc1ccon1 AB27912 [0,1,0,0,1,0|2,0,0]=4 1004 B8R1.8 CNCc1cncs1 AB27956 [0,1,0,0,1,0|2,0,0]=4 1005 B8R1.8 CNCc1cnsc1 AB74097 [0,1,0,0,1,0|2,0,0]=4 1006 B8R1.8 CNCc1cocn1 AB63386 [0,1,0,0,1,0|2,0,0]=4 1007 B8R1.8 CNCc1cscn1 AB27945 [0,1,0,0,1,0|2,0,0]=4 1008 B8R1.8 CNCc1cscn1 AB27947 [0,1,0,0,1,0|2,0,0]=4 1009 B8R1.8 CNCc1nccs1 AB12715 [0,1,0,0,1,0|2,0,0]=4 1010 B8R1.8 COCc1[nH]ccn1 PB20902 [0,1,0,0,1,0|0,0,1]=3 1011 B8R1.8 COCn1ccnn1 AB72401 [0,1,0,0,1,0|2,0,0]=4 1012 B8R1.8 c1c(con1)CCN AB28074 [0,1,0,0,1,0|2,0,0]=4 1013 B8R1.8 c1c(con1)CCO AB22774 [0,1,0,0,1,0|2,0,0]=4 1014 B8R1.8 c1c(ncs1)CCN AB45423 [0,1,0,0,1,0|2,0,0]=4 1015 B8R1.8 c1cc(sc1)CCN PB12982 [0,1,0,0,1,0|2,0,0]=4 1016 B8R1.8 c1cc(sc1)CCO PB32074 [0,1,0,0,1,0|2,0,0]=4 1017 B8R1.8 c1cn(cn1)CCN AB13191 [0,1,0,0,1,0|2,0,0]=4 1018 B8R1.8 c1cnn(c1)CCN AB15836 [0,1,0,0,1,0|2,0,0]=4 1019 B8R1.8 c1csc(n1)CCN AB28436 [0,1,0,0,1,0|2,0,0]=4 1020 B8R1.8 c1csc(n1)CCN AB43209 [0,1,0,0,1,0|2,0,0]=4 1021 B8R1.8 c1cscc1CCN PB24618 [0,1,0,0,1,0|2,0,0]=4 1022 B8R1.8 c1cscc1CCO PB25903 [0,1,0,0,1,0|2,0,0]=4 1023 B8R1.8 c1ncn(n1)CCBr AB15840 [0,1,0,0,1,0|2,0,0]=4 1024 B8R1.8 c1ncn(n1)CCN AB09728 [0,1,0,0,1,0|2,0,0]=4 1025 B8R1.11 CCn1c(ccn1)N PB15601 [0,1,0,0,1,0|2,0,0]=4 1026 B10R1.1 CCNc1ccc(cn1)Br AB51199 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.1 CCOc1ccc(cn1)Br AB05210 [0,2,0,0,0,0|1,0,0]=3 1028 B10R1.1 CCOc1ccc(cn1)N AB09602 [0,2,0,0,0,0|1,0,0]=3 1029 B10R1.1 CCOc1ccc(nn1)Cl MB01118 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.1 CCOc1cnc(cn1)Br AB51350 [0,2,0,0,0,0|0,0,0]=2 1031 B10R1.1 CCOc1cnc(nc1)Br PB31743 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.1 CCOc1cnc(nc1)Cl PB17760 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.1 CCOc1ncc(cn1)Br AB41256 [0,2,0,0,0,0|2,0,0]=4 1034 B10R1.1 CCOc1ncc(cn1)N AB58985 [0,2,0,0,0,0|2,0,0]=4 1035 B10R1.1 CNCc1ccc(cn1)Br AB49704 [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [0,2,0,0,0,0|2,0,0]=4 1037 B10R1.1 CNCc1ccc(cn1)F AB67668 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.1 CNCc1ccc(cn1)N AB67748 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.1 CNCc1ccc(nc1)Br AB67269 [0,2,0,0,0,0|2,0,0]=4 1040 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,2,0,0,0,0|2,0,0]=4 1042 B10R1.1 Cc1ccc(cn1)CNC AB63786 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,2,0,0,0,0|2,0,0]=4 1044 B10R1.1 Cc1ccc(nc1)CNC AB67504 [0,2,0,0,0,0|2,0,0]=4 1045 B10R1.1 Cc1cnc(cn1)CCN AB69468 [0,2,0,0,0,0|1,0,0]=3 1046 B10R1.1 c1c(ncc(n1)Cl)CCBr AB69919 [0,2,0,0,0,0|1,0,0]=3 1047 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [0,2,0,0,0,0|1,0,0]=3 1048 B10R1.1 c1c(ncc(n1)N)CC#N AB65850 [0,2,0,0,0,0|1,0,1]=4 1049 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,2,0,0,0,0|2,0,0]=4 1050 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,2,0,0,0,0|2,0,0]=4 1051 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,2,0,0,0,0|2,0,0]=4 1052 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,2,0,0,0,0|2,0,0]=4 1053 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,2,0,0,0,0|2,0,0]=4 1054 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,2,0,0,0,0|2,0,0]=4 1055 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,2,0,0,0,0|2,0,0]=4 1056 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,2,0,0,0,0|2,0,0]=4 1058 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,2,0,0,0,0|2,0,0]=4 1059 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,2,0,0,0,0|2,0,0]=4 1060 B10R1.3 CCc1ccc(nc1)CCl AB60001 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.3 CNc1ccc(nc1)OC AB60608 [0,2,0,0,0,0|1,0,0]=3 1062 B10R1.3 COc1ccc(cc1)C#N AB00162 [0,2,0,0,0,0|2,0,0]=4 1063 B10R1.3 COc1ccc(cc1)NN AB11940 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.3 COc1ccc(cn1)C#C PB23831 [0,2,0,0,0,0|1,0,0]=3 1065 B10R1.3 COc1ccc(cn1)C#N AB03173 [0,2,0,0,0,0|1,0,0]=3 1066 B10R1.3 COc1ccc(cn1)CCl AB59942 [0,2,0,0,0,0|1,0,0]=3 1067 B10R1.3 COc1ccc(cn1)CCl AB59945 [0,2,0,0,0,0|1,0,0]=3 1068 B10R1.3 COc1ccc(cn1)CN PB34107 [0,2,0,0,0,0|1,0,0]=3 1069 B10R1.3 COc1ccc(cn1)CO PB17339 [0,2,0,0,0,0|1,0,0]=3 1070 B10R1.3 COc1ccc(cn1)NN AB50207 [0,2,0,0,0,0|1,0,0]=3 1071 B10R1.3 COc1ccc(nc1)C#C AB68974 [0,2,0,0,0,0|1,0,0]=3 1072 B10R1.3 COc1ccc(nc1)C#N PB32629 [0,2,0,0,0,0|1,0,0]=3 1073 B10R1.3 COc1ccc(nc1)C=O PB17495 [0,2,0,0,0,0|1,0,0]=3 1074 B10R1.3 COc1ccc(nc1)CCl AB59864 [0,2,0,0,0,0|1,0,0]=3 1075 B10R1.3 COc1ccc(nc1)CCl PB31547 [0,2,0,0,0,0|1,0,0]=3 1076 B10R1.3 COc1ccc(nc1)CN AB59858 [0,2,0,0,0,0|1,0,0]=3 1077 B10R1.3 COc1ccc(nc1)CO PB32580 [0,2,0,0,0,0|1,0,0]=3 1078 B10R1.3 COc1ccc(nn1)C=O AB61123 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.3 COc1ccc(nn1)CCl AB62549 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.3 COc1ccc(nn1)CN AB61133 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.3 COc1ccc(nn1)NN AB44993 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.3 COc1cnc(cn1)C#N AB60470 [0,2,0,0,0,0|0,0,0]=2 1083 B10R1.3 COc1cnc(cn1)C=O AB60467 [0,2,0,0,0,0|0,0,0]=2 1084 B10R1.3 COc1cnc(cn1)CCl AB69883 [0,2,0,0,0,0|0,0,0]=2 1085 B10R1.3 COc1cnc(cn1)CN AB69881 [0,2,0,0,0,0|0,0,0]=2 1086 B10R1.3 COc1cnc(nc1)C=O AB59742 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.3 COc1ncc(cn1)C#C AB69109 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.3 COc1ncc(cn1)C=O AB15446 [0,2,0,0,0,0|2,0,0]=4 1089 B10R1.3 COc1ncc(cn1)CCl AB58903 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.3 COc1ncc(cn1)CN AB45827 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.3 c1c(ncc(n1)C=O)C=O AB70646 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.13 B(c1cnc(cn1)Br)(O)O AB48974 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.13 B(c1cnc(cn1)C)(O)O AB54260 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.13 B(c1cnc(cn1)Cl)(O)O AB50642 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.13 B(c1cnc(cn1)F)(O)O AB50657 [0,2,0,0,0,0|2,0,0]=4 1096 B10R1.13 B(c1cnc(cn1)N)(O)O AB45597 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.13 B(c1cnc(cn1)O)(O)O AB54215 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,2,0,0,0,0|2,0,0]=4 1101 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,2,0,0,0,0|2,0,0]=4 1105 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,2,0,0,0,0|2,0,0]=4 1108 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [0,2,0,0,0,0|1,0,0]=3 1109 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [0,2,0,0,0,0|2,0,0]=4 1110 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [0,2,0,0,0,0|2,0,0]=4 1111 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [0,2,0,0,0,0|2,0,0]=4 1112 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [0,2,0,0,0,0|2,0,0]=4 1113 B10R1.13 CC(C)c1cnc(cn1)Br AB64004 [0,2,0,0,0,0|1,0,0]=3 1114 B10R1.13 CC(C)c1cnc(cn1)Cl AB70173 [0,2,0,0,0,0|1,0,0]=3 1115 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [0,2,0,0,0,0|2,0,0]=4 1116 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [0,2,0,0,0,0|2,0,0]=4 1117 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [0,2,0,0,0,0|2,0,0]=4 1118 B10R1.13 CN(C)c1ccc(cn1)Br AB03372 [0,2,0,0,0,0|2,0,0]=4 1119 B10R1.13 CN(C)c1ccc(cn1)Cl AB67483 [0,2,0,0,0,0|2,0,0]=4 1120 B10R1.13 CN(C)c1ccc(cn1)N PB31328 [0,2,0,0,0,0|2,0,0]=4 1121 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.13 CN(C)c1ccc(nc1)Br MB00661 [0,2,0,0,0,0|2,0,0]=4 1123 B10R1.13 CN(C)c1cnc(cn1)Br AB54253 [0,2,0,0,0,0|1,0,0]=3 1124 B10R1.13 CN(C)c1ncc(nn1)Br AB72407 [0,2,0,0,0,0|2,0,0]=4 1125 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [0,2,0,0,0,0|2,0,0]=4 1126 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [0,2,0,0,0,0|2,0,0]=4 1129 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,2,0,0,0,0|2,0,0]=4 1130 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,2,0,0,0,0|1,0,0]=3 1131 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [0,2,0,0,0,0|2,0,0]=4 1132 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [0,2,0,0,0,0|2,0,0]=4 1133 B10R1.13 c1c(ncc(n1)Br)C(=O)N MB14265 [0,2,0,0,0,0|2,0,0]=4 1134 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,2,0,0,0,0|2,0,0]=4 1138 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [0,2,0,0,0,0|2,0,0]=4 1139 B10R1.25 CCc1ccc(nc1N)C AB03677 [0,2,0,0,0,0|2,0,0]=4 1140 B10R1.25 CNc1c(cc(cn1)Br)N AB40964 [0,2,0,0,0,0|2,0,0]=4 1141 B10R1.25 CNc1c(cc(cn1)Cl)N AB41038 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.25 COc1c(cc(cn1)Br)Cl AB20950 [0,2,0,0,0,0|1,0,0]=3 1143 B10R1.25 COc1c(cc(cn1)Br)F AB17621 [0,2,0,0,0,0|1,0,0]=3 1144 B10R1.25 COc1c(cc(cn1)Br)I AB21850 [0,2,0,0,0,0|1,0,0]=3 1145 B10R1.25 COc1c(cc(cn1)Br)N PB15873 [0,2,0,0,0,0|1,0,0]=3 1146 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [0,2,0,0,0,0|1,0,0]=3 1147 B10R1.25 COc1c(cc(cn1)Cl)Br AB43095 [0,2,0,0,0,0|1,0,0]=3 1148 B10R1.25 COc1c(cc(cn1)Cl)F AB41066 [0,2,0,0,0,0|1,0,0]=3 1149 B10R1.25 COc1c(cc(cn1)Cl)N AB41036 [0,2,0,0,0,0|1,0,0]=3 1150 B10R1.25 COc1c(cc(cn1)F)N AB75363 [0,2,0,0,0,0|1,0,0]=3 1151 B10R1.25 COc1c(cc(cn1)N)Cl AB70284 [0,2,0,0,0,0|1,0,0]=3 1152 B10R1.25 COc1c(cc(cn1)N)F AB40818 [0,2,0,0,0,0|1,0,0]=3 1153 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [0,2,0,0,0,0|1,0,0]=3 1154 B10R1.25 COc1c(cc(cn1)O)F AB70291 [0,2,0,0,0,0|1,0,0]=3 1155 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.25 COc1ccc(cc1Cl)O MB13556 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.25 COc1ccc(cc1F)Br AB01075 [0,2,0,0,0,0|2,0,0]=4 1158 B10R1.25 COc1ccc(cc1I)O MB26647 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.25 COc1ccc(cc1N)O MB34521 [0,2,0,0,0,0|2,0,0]=4 1160 B10R1.25 COc1ccc(cc1O)Cl MB09234 [0,2,0,0,0,0|2,0,0]=4 1161 B10R1.25 COc1ccc(cc1O)I MB38179 [0,2,0,0,0,0|2,0,0]=4 1162 B10R1.25 COc1ccc(nc1Br)N AB26774 [0,2,0,0,0,0|1,0,0]=3 1163 B10R1.25 COc1ccc(nc1Cl)N AB40624 [0,2,0,0,0,0|1,0,0]=3 1164 B10R1.25 COc1cnc(cc1Cl)N PB15356 [0,2,0,0,0,0|1,0,0]=3 1165 B10R1.25 COc1cnc(cc1O)Cl AB69306 [0,2,0,0,0,0|1,0,0]=3 1166 B10R1.25 COc1cnc(nc1Cl)Cl AB12653 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.25 CSc1c(cc(cn1)Br)N AB40978 [0,2,0,0,0,0|1,1,0]=4 1168 B10R1.25 CSc1c(cc(cn1)Cl)N AB41053 [0,2,0,0,0,0|1,1,0]=4 1169 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [0,2,0,0,0,0|1,0,0]=3 1170 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [0,2,0,0,0,0|1,0,0]=3 1171 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [0,2,0,0,0,0|1,0,0]=3 1172 B10R1.25 Cc1c(ncc(n1)Br)C#N AB72506 [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.25 Cc1c(ncc(n1)Br)C=O AB85714 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.25 Cc1c(ncc(n1)Br)OC AB85717 [0,2,0,0,0,0|0,0,0]=2 1175 B10R1.25 Cc1c(ncc(n1)Cl)C#N AB72505 [0,2,0,0,0,0|2,0,0]=4 1176 B10R1.25 Cc1c(ncc(n1)Cl)C=O AB85687 [0,2,0,0,0,0|2,0,0]=4 1177 B10R1.25 Cc1c(ncc(n1)Cl)CCl AB76483 [0,2,0,0,0,0|2,0,0]=4 1178 B10R1.25 Cc1c(ncc(n1)Cl)CN AB85686 [0,2,0,0,0,0|2,0,0]=4 1179 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [0,2,0,0,0,0|1,0,0]=3 1180 B10R1.25 Cc1cc(ccc1OC)O MB07842 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [0,2,0,0,0,0|1,0,0]=3 1182 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [0,2,0,0,0,0|1,0,0]=3 1183 B10R1.25 Cc1cc(cnc1OC)N AB20996 [0,2,0,0,0,0|1,0,0]=3 1184 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [0,2,0,0,0,0|1,0,0]=3 1185 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [0,2,0,0,0,0|2,0,0]=4 1186 B10R1.25 Cc1cnc(c(n1)C)CN AB73102 [0,2,0,0,0,0|2,0,0]=4 1187 B10R1.25 Cc1cnc(c(n1)Cl)C#N AB60457 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.25 c1c(nc(c(n1)C#N)Cl)Cl PB31130 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.25 c1c(nc(c(n1)C#N)Cl)N AB60469 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.25 c1c(nc(c(n1)C#N)N)Cl AB60474 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl PB10747 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.25 c1c(nc(c(n1)C=O)N)Br AB72512 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.25 c1c(nc(c(n1)C=O)N)Cl AB72515 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.25 c1c(nc(c(n1)CCl)N)Cl AB85693 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.176 COc1[nH]c(=O)c(cn1)F AB13904 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.176 COc1cc(c(cn1)Br)N PB16472 [0,2,0,0,0,0|1,0,0]=3 1197 B10R1.176 COc1cc(c(cn1)Cl)I AB71228 [0,2,0,0,0,0|1,0,0]=3 1198 B10R1.176 COc1cc(c(cn1)Cl)N AB68191 [0,2,0,0,0,0|1,0,0]=3 1199 B10R1.176 COc1cc(c(cn1)Cl)O AB69300 [0,2,0,0,0,0|1,0,0]=3 1200 B10R1.176 COc1cc(c(cn1)F)N AB70895 [0,2,0,0,0,0|1,0,0]=3 1201 B10R1.176 COc1cc(c(cn1)F)O AB69312 [0,2,0,0,0,0|1,0,0]=3 1202 B10R1.176 COc1cc(c(cn1)N)Cl AB75726 [0,2,0,0,0,0|1,0,0]=3 1203 B10R1.176 COc1cc(c(cn1)N)N AB51235 [0,2,0,0,0,0|1,0,0]=3 1204 B10R1.176 COc1cc(c(cn1)O)Cl AB70292 [0,2,0,0,0,0|1,0,0]=3 1205 B10R1.176 COc1cc(c(nc1)Cl)N AB62900 [0,2,0,0,0,0|1,0,0]=3 1206 B10R1.176 COc1cc(c(nc1)Cl)O AB71170 [0,2,0,0,0,0|1,0,0]=3 1207 B10R1.176 COc1cc(c(nc1)N)Cl AB70867 [0,2,0,0,0,0|1,0,0]=3 1208 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [0,2,0,0,0,0|1,0,0]=3 1209 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [0,2,0,0,0,0|2,0,0]=4 1210 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [0,2,0,0,0,0|2,0,0]=4 1211 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [0,2,0,0,0,0|2,0,0]=4 1212 B10R1.176 COc1ccc(c(c1)F)N AB09440 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.176 COc1ccc(c(c1)I)N AB42374 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.176 COc1ccc(c(c1)I)O MB07821 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.176 COc1ccc(c(c1)N)I AB45640 [0,2,0,0,0,0|2,0,0]=4 1216 B10R1.176 COc1ccc(c(c1)N)N AB02069 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.176 COc1ccc(c(c1)N)O AB25358 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.176 COc1ccc(c(c1)O)F MB25573 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.176 COc1ccc(c(c1)O)I MB12203 [0,2,0,0,0,0|2,0,0]=4 1221 B10R1.176 COc1ccc(c(n1)Br)N AB21737 [0,2,0,0,0,0|1,0,0]=3 1222 B10R1.176 COc1ccc(c(n1)Cl)N AB49773 [0,2,0,0,0,0|1,0,0]=3 1223 B10R1.176 COc1ccc(c(n1)Cl)O AB69288 [0,2,0,0,0,0|1,0,0]=3 1224 B10R1.176 COc1ccc(c(n1)N)Br AB43426 [0,2,0,0,0,0|1,0,0]=3 1225 B10R1.176 COc1ccc(c(n1)N)Cl AB62898 [0,2,0,0,0,0|1,0,0]=3 1226 B10R1.176 COc1ccc(c(n1)N)N AB25773 [0,2,0,0,0,0|1,0,0]=3 1227 B10R1.176 COc1ccc(c(n1)O)Cl AB75736 [0,2,0,0,0,0|1,0,0]=3 1228 B10R1.176 COc1ncc(c(n1)Cl)F AB52953 [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.176 CSc1nc(c(nn1)Cl)N AB72435 [0,2,0,0,0,0|1,1,0]=4 1230 B10R1.176 Cc1c(cc(cn1)OC)N AB73554 [0,2,0,0,0,0|1,0,0]=3 1231 B10R1.176 Cc1c(ccc(n1)OC)Br AB13393 [0,2,0,0,0,0|1,0,0]=3 1232 B10R1.176 Cc1c(nc(cn1)C=O)C AB77048 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.176 Cc1c(nc(cn1)CCl)C AB76287 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.176 Cc1c(nc(cn1)CN)C AB77049 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.176 Cc1c(ncc(n1)C#N)Br AB72509 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.176 Cc1c(ncc(n1)C#N)Cl AB72508 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.176 Cc1c(ncc(n1)CCl)Cl AB72511 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.176 Cc1c(ncc(n1)CN)Cl AB72510 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.176 Cc1c(ncc(n1)OC)Br AB85658 [0,2,0,0,0,0|0,0,0]=2 1240 B10R1.176 Cc1c(ncc(n1)OC)Cl AB85661 [0,2,0,0,0,0|0,0,0]=2 1241 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [0,2,0,0,0,0|1,0,0]=3 1242 B10R1.176 Cc1cc(cnc1C)OC AB85300 [0,2,0,0,0,0|1,0,0]=3 1243 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [0,2,0,0,0,0|1,0,0]=3 1244 B10R1.176 Cc1cc(cnc1N)OC AB73557 [0,2,0,0,0,0|1,0,0]=3 1245 B10R1.176 Cc1cc(ncc1Br)NC AB41168 [0,2,0,0,0,0|2,0,0]=4 1246 B10R1.176 Cc1cc(ncc1Br)OC AB17469 [0,2,0,0,0,0|1,0,0]=3 1247 B10R1.176 Cc1cc(ncc1Cl)NC AB41164 [0,2,0,0,0,0|2,0,0]=4 1248 B10R1.176 Cc1cc(ncc1N)OC AB44888 [0,2,0,0,0,0|1,0,0]=3 1249 B10R1.176 Cc1ccc(cc1O)OC MB11905 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.176 Cc1ccc(nc1N)OC AB73563 [0,2,0,0,0,0|1,0,0]=3 1251 B10R1.176 Cc1cnc(cc1N)OC AB73589 [0,2,0,0,0,0|1,0,0]=3 1252 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [0,2,0,0,0,0|1,0,0]=3 1253 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [0,2,0,0,0,0|1,0,0]=3 1254 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [0,2,0,0,0,0|1,0,0]=3 1255 B10R1.2 COc1c(c(ccn1)I)F AB71332 [0,2,0,0,0,0|1,0,0]=3 1256 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [0,2,0,0,0,0|1,0,0]=3 1257 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [0,2,0,0,0,0|1,0,0]=3 1258 B10R1.2 COc1c(c(ccn1)N)F AB70892 [0,2,0,0,0,0|1,0,0]=3 1259 B10R1.2 COc1c(c(ccn1)N)N AB56399 [0,2,0,0,0,0|1,0,0]=3 1260 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [0,2,0,0,0,0|1,0,0]=3 1261 B10R1.2 COc1cccc(c1Br)O MB06929 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.2 COc1cccc(c1Cl)N PB11874 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.2 COc1cccc(c1Cl)O MB06074 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.2 COc1cccc(c1F)O MB09318 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.2 COc1cccc(c1I)O MB14766 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.2 COc1cccc(c1N)O MB12204 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.2 COc1cccc(c1O)Br PB18847 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.2 COc1cccc(c1O)Cl MB25402 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.2 COc1cccc(c1O)I MB09225 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.2 COc1cccc(c1O)N MB25613 [0,2,0,0,0,0|2,0,0]=4 1271 B10R1.2 COc1cn[nH]c(=O)c1Cl PB12336 [0,2,0,0,0,0|2,0,0]=4 1272 B10R1.2 COc1cncc(c1Cl)N AB64859 [0,2,0,0,0,0|1,0,0]=3 1273 B10R1.2 COc1cncc(c1Cl)O AB75741 [0,2,0,0,0,0|1,0,0]=3 1274 B10R1.2 COc1cncc(c1N)Cl AB75723 [0,2,0,0,0,0|1,0,0]=3 1275 B10R1.2 COc1cncc(c1O)Cl AB75737 [0,2,0,0,0,0|1,0,0]=3 1276 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.2 Cc1c(cncc1OC)N CB11797 [0,2,0,0,0,0|1,0,0]=3 1278 B10R1.2 Cc1cccc(c1N)OC AB02877 [0,2,0,0,0,0|2,0,0]=4 1279 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [0,2,0,0,0,0|1,0,0]=3 1280 B10R1.8 COc1cc(cc(c1)Br)Cl AB62692 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.8 COc1cc(cc(c1)Br)N AB65032 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.8 COc1cc(cc(c1)Br)O AB65533 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.8 COc1cc(cc(c1)Cl)O MB00121 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.8 COc1cc(cc(c1)F)O MB10146 [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.8 COc1cc(cc(c1)I)O MB11865 [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.8 COc1cc(cc(c1)O)N MB25612 [0,2,0,0,0,0|2,0,0]=4 1287 B10R1.8 COc1cc(cc(n1)Br)Cl AB69575 [0,2,0,0,0,0|1,0,0]=3 1288 B10R1.8 COc1cc(cc(n1)Br)N AB62723 [0,2,0,0,0,0|1,0,0]=3 1289 B10R1.8 COc1cc(cc(n1)Cl)Br AB69577 [0,2,0,0,0,0|1,0,0]=3 1290 B10R1.8 COc1cc(cc(n1)Cl)N AB68188 [0,2,0,0,0,0|1,0,0]=3 1291 B10R1.8 COc1cc(nc(n1)Cl)Cl MB01592 [0,2,0,0,0,0|2,0,0]=4 1292 B10R1.8 COc1nc(cc(n1)Cl)Cl MB02869 [0,2,0,0,0,0|2,0,0]=4 1293 B10R1.8 COc1nc(cc(n1)Cl)N MB09202 [0,2,0,0,0,0|2,0,0]=4 1294 B10R1.8 Cc1cc(cc(c1)Br)OC AB43364 [0,2,0,0,0,0|2,0,0]=4 1295 B10R1.8 Cc1cc(cc(c1)Cl)OC MB05593 [0,2,0,0,0,0|2,0,0]=4 1296 B10R1.8 Cc1cc(nc(n1)OC)Cl AB71553 [0,2,0,0,0,0|2,0,0]=4 1297 B10R1.10 CCCc1cccc(n1)N AB03673 [0,2,0,0,0,0|2,0,0]=4 1298 B10R1.10 CCOc1cc(ccn1)Br AB05209 [0,2,0,0,0,0|1,0,0]=3 1299 B10R1.10 CCOc1cc(ccn1)N AB05301 [0,2,0,0,0,0|1,0,0]=3 1300 B10R1.10 CCOc1cc(cnc1)Br AB05134 [0,2,0,0,0,0|1,0,0]=3 1301 B10R1.10 CCOc1cc(ncn1)Br MB14207 [0,2,0,0,0,0|2,0,0]=4 1302 B10R1.10 CCOc1cc(ncn1)Cl AB16426 [0,2,0,0,0,0|2,0,0]=4 1303 B10R1.10 CCOc1cccc(n1)Br AB05279 [0,2,0,0,0,0|1,0,0]=3 1304 B10R1.10 CCOc1cccc(n1)N AB05302 [0,2,0,0,0,0|1,0,0]=3 1305 B10R1.10 CCOc1ccnc(n1)Br MB14088 [0,2,0,0,0,0|2,0,0]=4 1306 B10R1.10 CCOc1cncc(n1)Cl AB52638 [0,2,0,0,0,0|0,0,0]=2 1307 B10R1.10 CCOc1nccc(n1)Br AB54363 [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.10 CNCc1cc(ccn1)Br AB40680 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [0,2,0,0,0,0|2,0,0]=4 1310 B10R1.10 CNCc1cc(ccn1)F AB68057 [0,2,0,0,0,0|2,0,0]=4 1311 B10R1.10 CNCc1cc(ccn1)N AB40666 [0,2,0,0,0,0|2,0,0]=4 1312 B10R1.10 CNCc1cc(cnc1)Br AB41067 [0,2,0,0,0,0|2,0,0]=4 1313 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.10 CNCc1cc(cnc1)F AB67670 [0,2,0,0,0,0|2,0,0]=4 1315 B10R1.10 CNCc1cc(cnc1)N AB67751 [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.10 CNCc1cccc(n1)Br AB48344 [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.10 CNCc1cccc(n1)Cl AB67315 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.10 CNCc1cccc(n1)F AB72833 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,2,0,0,0,0|2,0,0]=4 1320 B10R1.10 Cc1cc(cnc1)CNC AB67507 [0,2,0,0,0,0|2,0,0]=4 1321 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.10 Cc1cccc(n1)CNC AB01381 [0,2,0,0,0,0|2,0,0]=4 1323 B10R1.10 Cc1ccnc(c1)CNC AB52584 [0,2,0,0,0,0|2,0,0]=4 1324 B10R1.10 c1c(cncc1Br)CCN AB41071 [0,2,0,0,0,0|2,0,0]=4 1325 B10R1.10 c1c(cncc1Cl)CCN AB67621 [0,2,0,0,0,0|2,0,0]=4 1326 B10R1.10 c1c(cncc1F)CCN AB55166 [0,2,0,0,0,0|2,0,0]=4 1327 B10R1.10 c1c(cncc1N)CCN AB67760 [0,2,0,0,0,0|2,0,0]=4 1328 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [0,2,0,0,0,0|1,0,0]=3 1329 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [0,2,0,0,0,0|2,0,0]=4 1330 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [0,2,0,0,0,0|2,0,0]=4 1331 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [0,2,0,0,0,0|2,0,0]=4 1332 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [0,2,0,0,0,0|2,0,0]=4 1333 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [0,2,0,0,0,0|2,0,0]=4 1334 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [0,2,0,0,0,0|2,0,0]=4 1335 B10R1.10 c1cnc(cc1Br)CCN AB55853 [0,2,0,0,0,0|2,0,0]=4 1336 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [0,2,0,0,0,0|2,0,0]=4 1337 B10R1.10 c1cnc(cc1F)CCN AB55195 [0,2,0,0,0,0|2,0,0]=4 1338 B10R1.30 CNc1cc(cnc1Cl)Br AB40833 [0,2,0,0,0,0|2,0,0]=4 1339 B10R1.30 CNc1cc(cnc1Cl)Cl AB41028 [0,2,0,0,0,0|2,0,0]=4 1340 B10R1.30 COc1c(ccc(n1)Br)F AB74998 [0,2,0,0,0,0|1,0,0]=3 1341 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [0,2,0,0,0,0|1,0,0]=3 1342 B10R1.30 COc1c(ccc(n1)I)Br AB73529 [0,2,0,0,0,0|1,0,0]=3 1343 B10R1.30 COc1c(ccc(n1)N)F AB76983 [0,2,0,0,0,0|1,0,0]=3 1344 B10R1.30 COc1c(cnc(n1)Cl)Br PB12272 [0,2,0,0,0,0|2,0,0]=4 1345 B10R1.30 COc1c(ncc(n1)Br)Br AB54782 [0,2,0,0,0,0|0,0,0]=2 1346 B10R1.30 COc1c(ncc(n1)Br)Cl AB72501 [0,2,0,0,0,0|0,0,0]=2 1347 B10R1.30 COc1c(ncc(n1)Br)N AB44806 [0,2,0,0,0,0|0,0,0]=2 1348 B10R1.30 COc1c(ncc(n1)Cl)N AB64255 [0,2,0,0,0,0|0,0,0]=2 1349 B10R1.30 COc1c(nnc(n1)Cl)Cl AB72424 [0,2,0,0,0,0|1,0,0]=3 1350 B10R1.30 COc1cc(ccc1Br)O MB00359 [0,2,0,0,0,0|2,0,0]=4 1351 B10R1.30 COc1cc(ccc1Cl)O MB25434 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.30 COc1cc(ccc1F)O MB08744 [0,2,0,0,0,0|2,0,0]=4 1353 B10R1.30 COc1cc(ccc1I)Br CB11560 [0,2,0,0,0,0|2,0,0]=4 1354 B10R1.30 COc1cc(ccc1I)O MB29625 [0,2,0,0,0,0|2,0,0]=4 1355 B10R1.30 COc1cc(ccc1N)F MB00562 [0,2,0,0,0,0|2,0,0]=4 1356 B10R1.30 COc1cc(ccc1N)O MB01122 [0,2,0,0,0,0|2,0,0]=4 1357 B10R1.30 COc1cc(ccc1O)Br PB30583 [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.30 COc1cc(ccc1O)I MB05217 [0,2,0,0,0,0|2,0,0]=4 1359 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [0,2,0,0,0,0|1,0,0]=3 1360 B10R1.30 COc1cc(cnc1Cl)F AB74801 [0,2,0,0,0,0|1,0,0]=3 1361 B10R1.30 COc1cc(nnc1Cl)Cl AB06292 [0,2,0,0,0,0|2,0,0]=4 1362 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,2,0,0,0,0|2,0,0]=4 1363 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,2,0,0,0,0|2,0,0]=4 1364 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [0,2,0,0,0,0|2,0,0]=4 1365 B10R1.30 Cc1cnc(c(n1)CCl)C AB76280 [0,2,0,0,0,0|2,0,0]=4 1366 B10R1.30 Cc1cnc(c(n1)CN)C AB77043 [0,2,0,0,0,0|2,0,0]=4 1367 B10R1.30 c1c(nc(c(n1)Br)C#N)Br PB27296 [0,2,0,0,0,0|2,0,0]=4 1368 B10R1.30 c1c(nc(c(n1)Cl)C=O)Cl AB85727 [0,2,0,0,0,0|2,0,0]=4 1369 B10R1.30 c1c(nc(c(n1)N)C#N)Cl AB60487 [0,2,0,0,0,0|2,0,0]=4 1370 B10R1.30 c1c(nc(c(n1)N)C=O)Br AB69711 [0,2,0,0,0,0|2,0,0]=4 1371 B10R1.30 c1c(nc(c(n1)N)C=O)Cl AB60422 [0,2,0,0,0,0|2,0,0]=4 1372 B10R1.30 c1c(nc(c(n1)N)CCl)Cl AB85695 [0,2,0,0,0,0|2,0,0]=4 1373 B10R1.113 B(c1cncc(n1)C)(O)O AB54283 [0,2,0,0,0,0|2,0,0]=4 1374 B10R1.113 B(c1cncc(n1)Cl)(O)O AB43319 [0,2,0,0,0,0|2,0,0]=4 1375 B10R1.113 B(c1cncc(n1)N)(O)O AB45590 [0,2,0,0,0,0|2,0,0]=4 1376 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,2,0,0,0,0|2,0,0]=4 1377 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,2,0,0,0,0|2,0,0]=4 1378 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,2,0,0,0,0|2,0,0]=4 1379 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,2,0,0,0,0|2,0,0]=4 1380 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,2,0,0,0,0|2,0,0]=4 1381 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,2,0,0,0,0|2,0,0]=4 1382 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,2,0,0,0,0|2,0,0]=4 1384 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [0,2,0,0,0,0|2,0,0]=4 1389 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [0,2,0,0,0,0|2,0,0]=4 1390 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [0,2,0,0,0,0|2,0,0]=4 1391 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [0,2,0,0,0,0|2,0,0]=4 1392 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [0,2,0,0,0,0|2,0,0]=4 1393 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [0,2,0,0,0,0|2,0,0]=4 1394 B10R1.113 CN(C)c1cc(ccn1)Br AB64930 [0,2,0,0,0,0|2,0,0]=4 1395 B10R1.113 CN(C)c1cc(ccn1)Cl AB49336 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.113 CN(C)c1cc(ccn1)O MB15076 [0,2,0,0,0,0|2,0,0]=4 1397 B10R1.113 CN(C)c1cc(cnc1)Br MB12044 [0,2,0,0,0,0|2,0,0]=4 1398 B10R1.113 CN(C)c1cc(cnc1)O MB24985 [0,2,0,0,0,0|2,0,0]=4 1399 B10R1.113 CN(C)c1cccc(n1)Br AB54123 [0,2,0,0,0,0|2,0,0]=4 1400 B10R1.113 CN(C)c1cccc(n1)Cl AB67484 [0,2,0,0,0,0|2,0,0]=4 1401 B10R1.113 CN(C)c1cncc(n1)Cl AB65245 [0,2,0,0,0,0|1,0,0]=3 1402 B10R1.113 CN(C)c1cnnc(n1)Cl AB71505 [0,2,0,0,0,0|2,0,0]=4 1403 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [0,2,0,0,0,0|2,0,0]=4 1405 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.113 c1c(nc(cn1)Br)C(=O)N MB14307 [0,2,0,0,0,0|2,0,0]=4 1408 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [0,2,0,0,0,0|2,0,0]=4 1409 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [0,2,0,0,0,0|2,0,0]=4 1410 B10R1.113 c1c(nc(cn1)Cl)[N+](=O)[O-] AB60515 [0,2,0,0,0,0|2,0,0]=4 1411 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [0,2,0,0,0,0|2,0,0]=4 1412 B10R1.172 CNc1cc(ccn1)C#N AB50451 [0,2,0,0,0,0|2,0,0]=4 1413 B10R1.172 CNc1ccnc(c1)OC AB60615 [0,2,0,0,0,0|1,0,0]=3 1414 B10R1.172 COc1cc(ccn1)C#C AB68333 [0,2,0,0,0,0|1,0,0]=3 1415 B10R1.172 COc1cc(ccn1)C#N PB24932 [0,2,0,0,0,0|1,0,0]=3 1416 B10R1.172 COc1cc(ccn1)C=O PB32415 [0,2,0,0,0,0|1,0,0]=3 1417 B10R1.172 COc1cc(ccn1)CCl AB59894 [0,2,0,0,0,0|1,0,0]=3 1418 B10R1.172 COc1cc(ccn1)CN PB12590 [0,2,0,0,0,0|1,0,0]=3 1419 B10R1.172 COc1cc(ccn1)CO PB12206 [0,2,0,0,0,0|1,0,0]=3 1420 B10R1.172 COc1cc(cnc1)C#C AB63414 [0,2,0,0,0,0|1,0,0]=3 1421 B10R1.172 COc1cc(cnc1)C=O PB23495 [0,2,0,0,0,0|1,0,0]=3 1422 B10R1.172 COc1cc(cnc1)CCl AB67553 [0,2,0,0,0,0|1,0,0]=3 1423 B10R1.172 COc1cc(cnc1)CN PB36726 [0,2,0,0,0,0|1,0,0]=3 1424 B10R1.172 COc1cc(cnc1)CO PB11991 [0,2,0,0,0,0|1,0,0]=3 1425 B10R1.172 COc1cc(ncn1)CCl AB58959 [0,2,0,0,0,0|2,0,0]=4 1426 B10R1.172 COc1cc(ncn1)CN PB31189 [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.172 COc1cccc(c1)C#C AB04227 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.172 COc1cccc(c1)C#N AB00159 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.172 COc1cccc(c1)C=O AB00318 [0,2,0,0,0,0|2,0,0]=4 1430 B10R1.172 COc1cccc(n1)C=O AB22243 [0,2,0,0,0,0|1,0,0]=3 1431 B10R1.172 COc1cccc(n1)CCl AB59984 [0,2,0,0,0,0|1,0,0]=3 1432 B10R1.172 COc1cccc(n1)CN AB64449 [0,2,0,0,0,0|1,0,0]=3 1433 B10R1.172 COc1cccc(n1)CO AB43774 [0,2,0,0,0,0|1,0,0]=3 1434 B10R1.172 COc1ccnc(n1)C#N PB21341 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.172 COc1ccnc(n1)CCl AB59089 [0,2,0,0,0,0|2,0,0]=4 1436 B10R1.172 COc1ccnc(n1)CN AB63192 [0,2,0,0,0,0|2,0,0]=4 1437 B10R1.172 COc1cncc(n1)C#C AB69157 [0,2,0,0,0,0|0,0,0]=2 1438 B10R1.172 COc1cncc(n1)C#N AB60489 [0,2,0,0,0,0|0,0,0]=2 1439 B10R1.172 COc1cncc(n1)C=O AB73162 [0,2,0,0,0,0|0,0,0]=2 1440 B10R1.172 COc1cncc(n1)CCl AB73154 [0,2,0,0,0,0|0,0,0]=2 1441 B10R1.172 COc1cncc(n1)CN AB73157 [0,2,0,0,0,0|0,0,0]=2 1442 B10R1.172 COc1nccc(n1)C=O AB44816 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.172 COc1nccc(n1)CCl AB58943 [0,2,0,0,0,0|2,0,0]=4 1444 B10R1.172 COc1nccc(n1)CN PB16289 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.172 COc1nccc(n1)CO PB24420 [0,2,0,0,0,0|2,0,0]=4 1446 B10R1.172 c1c(nc(cn1)C=O)C=O AB74048 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.15 CC(c1cccnc1)NC CB11165 [0,2,0,0,0,0|2,0,0]=4 1448 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,2,0,0,0,0|2,0,0]=4 1449 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,2,0,0,0,0|1,0,0]=3 1450 B10R1.15 CCC(c1cnccn1)N PB31632 [0,2,0,0,0,0|1,0,0]=3 1451 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,2,0,0,0,0|1,0,0]=3 1452 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,2,0,0,0,0|0,0,0]=2 1453 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,2,0,0,0,0|2,0,0]=4 1456 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,2,0,0,0,0|2,0,0]=4 1464 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.28 CC(C)(C)c1ccccn1 CB10120 [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.28 CC(C)(c1ccccn1)N AB48746 [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.28 CC(C)(c1cccnc1)N AB48740 [0,2,0,0,0,0|2,0,0]=4 1469 B10R1.28 c1cnc(cn1)S(=O)(=O)Cl AB60547 [0,2,0,0,0,0|1,1,0]=4 1470 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,2,0,0,0,0|2,0,0]=4 1471 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,2,0,0,0,0|2,0,0]=4 1473 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,2,0,0,0,0|1,0,0]=3 1474 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,2,0,0,0,0|1,0,0]=3 1475 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,2,0,0,0,0|2,0,0]=4 1476 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,2,0,0,0,0|2,0,0]=4 1477 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,2,0,0,0,0|2,0,0]=4 1478 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,2,0,0,0,0|2,0,0]=4 1479 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,2,0,0,0,0|2,0,0]=4 1480 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,2,0,0,0,0|2,0,0]=4 1481 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,2,0,0,0,0|2,0,0]=4 1482 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [0,2,0,0,0,0|1,0,0]=3 1484 B10R1.61 CC(C)c1cnccc1O MB22684 [0,2,0,0,0,0|2,0,0]=4 1485 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,2,0,0,0,0|2,0,0]=4 1486 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,2,0,0,0,0|2,0,0]=4 1487 B10R1.61 CC(c1cnccc1Cl)N AB68000 [0,2,0,0,0,0|2,0,0]=4 1488 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,2,0,0,0,0|2,0,0]=4 1489 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,2,0,0,0,0|2,0,0]=4 1490 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,2,0,0,0,0|2,0,0]=4 1491 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [0,2,0,0,0,0|1,0,0]=3 1492 B10R1.61 CN(C)c1cnccc1O MB24989 [0,2,0,0,0,0|2,0,0]=4 1493 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,2,0,0,0,0|2,0,0]=4 1494 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,2,0,0,0,0|2,0,0]=4 1495 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,2,0,0,0,0|2,0,0]=4 1496 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,2,0,0,0,0|2,0,0]=4 1497 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,2,0,0,0,0|2,0,0]=4 1498 B10R1.61 Cc1ccncc1C(C)N AB67850 [0,2,0,0,0,0|2,0,0]=4 1499 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [0,2,0,0,0,0|2,0,0]=4 1500 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [0,2,0,0,0,0|2,0,0]=4 1501 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [0,2,0,0,0,0|2,0,0]=4 1502 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,2,0,0,0,0|2,0,0]=4 1503 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,2,0,0,0,0|2,0,0]=4 1504 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,2,0,0,0,0|2,0,0]=4 1505 B10R1.61 c1cnc(c(n1)[N+](=O)[O-])Cl AB60519 [0,2,0,0,0,0|2,0,0]=4 1506 B10R1.4 CCOc1c(cccn1)Br AB05207 [0,2,0,0,0,0|1,0,0]=3 1507 B10R1.4 CCOc1c(cccn1)I AB05213 [0,2,0,0,0,0|1,0,0]=3 1508 B10R1.4 CNCc1c(cccn1)F PB12566 [0,2,0,0,0,0|2,0,0]=4 1509 B10R1.4 CNCc1cccnc1Cl AB53845 [0,2,0,0,0,0|2,0,0]=4 1510 B10R1.4 CNCc1cnccc1Br AB67968 [0,2,0,0,0,0|2,0,0]=4 1511 B10R1.4 CNCc1cnccc1Cl AB67984 [0,2,0,0,0,0|2,0,0]=4 1512 B10R1.4 CNCc1cnccc1F AB68060 [0,2,0,0,0,0|2,0,0]=4 1513 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,2,0,0,0,0|2,0,0]=4 1514 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,2,0,0,0,0|2,0,0]=4 1515 B10R1.4 Cc1cccnc1CCN AB31462 [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.4 Cc1ccncc1CCN AB55157 [0,2,0,0,0,0|2,0,0]=4 1517 B10R1.4 Cc1ccncc1CNC AB67828 [0,2,0,0,0,0|2,0,0]=4 1518 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,2,0,0,0,0|2,0,0]=4 1519 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,2,0,0,0,0|2,0,0]=4 1520 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,2,0,0,0,0|2,0,0]=4 1521 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,2,0,0,0,0|2,0,0]=4 1522 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,2,0,0,0,0|2,0,0]=4 1523 B10R1.4 c1cnc(c(n1)CC#N)Cl PB11137 [0,2,0,0,0,0|1,0,1]=4 1524 B10R1.4 c1cncc(c1Br)CCN AB45481 [0,2,0,0,0,0|2,0,0]=4 1525 B10R1.4 c1cncc(c1Cl)CCN AB68002 [0,2,0,0,0,0|2,0,0]=4 1526 B10R1.4 c1cncc(c1F)CCN AB55177 [0,2,0,0,0,0|2,0,0]=4 1527 B10R1.17 C#CCOc1cccnc1 AB61421 [0,2,0,0,0,0|1,0,0]=3 1528 B10R1.17 C#CCOc1ncccn1 AB61425 [0,2,0,0,0,0|2,0,0]=4 1529 B10R1.17 CNCCc1cccnc1 AB10676 [0,2,0,0,0,0|2,0,0]=4 1530 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,2,0,0,0,0|2,0,0]=4 1531 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,2,0,0,0,0|2,0,0]=4 1532 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,2,0,0,0,0|2,0,0]=4 1533 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,2,0,0,0,0|2,0,0]=4 1534 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,2,0,0,0,0|2,0,0]=4 1535 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,2,0,0,0,0|1,0,0]=3 1536 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,2,0,0,0,0|1,0,0]=3 1537 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,2,0,0,0,0|2,0,0]=4 1538 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,2,0,0,0,0|2,0,0]=4 1540 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,2,0,0,0,0|1,0,0]=3 1541 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,2,0,0,0,0|2,0,0]=4 1542 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,2,0,0,0,0|2,0,0]=4 1543 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,2,0,0,0,0|1,0,0]=3 1544 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,2,0,0,0,0|1,0,1]=4 1545 B10R1.20 COc1c(cccn1)C#C AB69070 [0,2,0,0,0,0|1,0,0]=3 1546 B10R1.20 COc1c(cccn1)C#N PB30871 [0,2,0,0,0,0|1,0,0]=3 1547 B10R1.20 COc1c(cccn1)C=O PB26137 [0,2,0,0,0,0|1,0,0]=3 1548 B10R1.20 COc1c(cccn1)CCl AB54482 [0,2,0,0,0,0|1,0,0]=3 1549 B10R1.20 COc1c(cccn1)CN PB10680 [0,2,0,0,0,0|1,0,0]=3 1550 B10R1.20 COc1c(cccn1)CN PB15194 [0,2,0,0,0,0|1,0,0]=3 1551 B10R1.20 COc1c(cccn1)CO PB20446 [0,2,0,0,0,0|1,0,0]=3 1552 B10R1.20 COc1c(nccn1)C#N AB22503 [0,2,0,0,0,0|0,0,0]=2 1553 B10R1.20 COc1c(nccn1)C=O AB55611 [0,2,0,0,0,0|0,0,0]=2 1554 B10R1.20 COc1c(nncn1)CN PB39100 [0,2,0,0,0,0|1,0,0]=3 1555 B10R1.20 COc1ccccc1C#N AB00156 [0,2,0,0,0,0|2,0,0]=4 1556 B10R1.20 COc1ccccc1C=O AB00311 [0,2,0,0,0,0|2,0,0]=4 1557 B10R1.20 COc1cccnc1C#N AB40617 [0,2,0,0,0,0|1,0,0]=3 1558 B10R1.20 COc1cccnc1C=O AB22246 [0,2,0,0,0,0|1,0,0]=3 1559 B10R1.20 COc1cccnc1CCl AB60052 [0,2,0,0,0,0|1,0,0]=3 1560 B10R1.20 COc1cccnc1CN AB40619 [0,2,0,0,0,0|1,0,0]=3 1561 B10R1.20 COc1cccnc1CO MB05449 [0,2,0,0,0,0|1,0,0]=3 1562 B10R1.20 COc1cccnc1OC AB13430 [0,2,0,0,0,0|1,0,0]=3 1563 B10R1.20 COc1cnccc1C#C AB69090 [0,2,0,0,0,0|1,0,0]=3 1564 B10R1.20 COc1cnccc1C=O AB17541 [0,2,0,0,0,0|1,0,0]=3 1565 B10R1.20 COc1cnccc1CCl AB67554 [0,2,0,0,0,0|1,0,0]=3 1566 B10R1.20 COc1cnccc1CN AB63142 [0,2,0,0,0,0|1,0,0]=3 1567 B10R1.20 COc1cncnc1C#N AB65904 [0,2,0,0,0,0|2,0,0]=4 1568 B10R1.20 CSc1c(cccn1)C=O MB07044 [0,2,0,0,0,0|1,1,0]=4 1569 B10R1.20 CSc1c(cccn1)CO MB07043 [0,2,0,0,0,0|1,1,0]=4 1570 B10R1.245 COc1c(cccc1Br)F AB21504 [0,2,0,0,0,0|2,0,0]=4 1571 B10R1.245 COc1c(cccc1Br)O MB09199 [0,2,0,0,0,0|2,0,0]=4 1572 B10R1.245 COc1c(cccc1Cl)O MB34190 [0,2,0,0,0,0|2,0,0]=4 1573 B10R1.245 COc1c(cccc1F)N MB00204 [0,2,0,0,0,0|2,0,0]=4 1574 B10R1.245 COc1c(cccc1I)O MB33689 [0,2,0,0,0,0|2,0,0]=4 1575 B10R1.245 COc1c(cccc1O)N MB14425 [0,2,0,0,0,0|2,0,0]=4 1576 B10R1.245 COc1c(ncnc1Cl)N PB22102 [0,2,0,0,0,0|2,0,0]=4 1577 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [0,2,0,0,0,0|1,0,0]=3 1578 B10R1.245 Cc1cccc(c1OC)O MB33579 [0,2,0,0,0,0|2,0,0]=4 1579 B10R2.7 c1cc2c(cco2)nc1 PB26741 [0,1,0,1,0,0|1,0,1]=4 1580 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [0,1,0,1,0,0|2,0,0]=4 1581 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,1,0,1,0,0|2,0,0]=4 1582 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [0,1,0,1,0,0|1,0,0]=3 1583 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [0,1,0,1,0,0|1,0,0]=3 1584 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [0,1,0,1,0,0|1,0,0]=3 1585 B10R2.7 c1cncc2=CCN=c21 PB12213 [0,1,0,1,0,0|2,0,0]=4 1586 B10R2.7 c1cncc2=NCC=c21 PB21773 [0,1,0,1,0,0|2,0,0]=4 1587 B10R2.7 c1cncc2c1CNC2 AB30511 [0,1,0,1,0,0|2,0,0]=4 1588 B10R2.7 c1cncc2c1CNC2 PB24193 [0,1,0,1,0,0|2,0,0]=4 1589 B10R2.7 c1nc2=NCC=c2nn1 AB72444 [0,1,0,1,0,0|2,0,0]=4 1590 B6R1.2 C1=NC(=O)N=C1 AB01798 [1,0,0,0,1,0|0,0,1]=3 1591 B6R1.2 C1=NC=NC1Br AB02015 [1,0,0,0,1,0|1,0,1]=4 1592 B6R1.2 C1=NC=NC1I AB09493 [1,0,0,0,1,0|1,0,1]=4 1593 B6R1.2 C1=NC=NC1N MB08721 [1,0,0,0,1,0|1,0,1]=4 1594 B6R1.2 C1C=NC(=N1)Br AB11316 [1,0,0,0,1,0|1,0,1]=4 1595 B6R1.2 C1C=NC(=N1)Cl AB11323 [1,0,0,0,1,0|1,0,1]=4 1596 B6R1.2 C1C=NC(=N1)I AB04195 [1,0,0,0,1,0|1,0,1]=4 1597 B6R1.2 C1C=NC(=N1)N AB07116 [1,0,0,0,1,0|1,0,1]=4 1598 B6R1.2 C1C=NC(=N1)N AB29274 [1,0,0,0,1,0|1,0,1]=4 1599 B6R1.2 C1C=NC(=N1)O AB52896 [1,0,0,0,1,0|0,0,1]=3 1600 B6R1.2 C1C=NC(=N1)S AB00386 [1,0,0,0,1,0|0,1,1]=4 1601 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,0,1,0|0,0,1]=3 1602 B6R1.2 CC1=CN=NC1 AB00390 [1,0,0,0,1,0|1,0,1]=4 1603 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,0,1,0|0,0,1]=3 1604 B6R1.2 CC1=NN=NC1 AB70603 [1,0,0,0,1,0|1,0,1]=4 1605 B6R1.2 Cc1ccon1 AB01288 [1,0,0,0,1,0|1,0,0]=3 1606 B6R1.2 Cc1cocn1 AB63545 [1,0,0,0,1,0|1,0,0]=3 1607 B6R1.2 Cn1cccn1 PB33818 [1,0,0,0,1,0|1,0,0]=3 1608 B6R1.2 Cn1ccnn1 AB51214 [1,0,0,0,1,0|2,0,0]=4 1609 B6R1.2 Cn1cnnc1 AB06345 [1,0,0,0,1,0|2,0,0]=4 1610 B6R1.2 c1[nH]nc(n1)Br AB09118 [1,0,0,0,1,0|2,0,0]=4 1611 B6R1.2 c1c(con1)Br AB11359 [1,0,0,0,1,0|2,0,0]=4 1612 B6R1.2 c1c(con1)F AB68759 [1,0,0,0,1,0|2,0,0]=4 1613 B6R1.2 c1c(con1)N AB43605 [1,0,0,0,1,0|2,0,0]=4 1614 B6R1.2 c1c(csn1)Br AB25618 [1,0,0,0,1,0|2,0,0]=4 1615 B6R1.2 c1c(csn1)N AB11898 [1,0,0,0,1,0|2,0,0]=4 1616 B6R1.2 c1c(nco1)Br AB71589 [1,0,0,0,1,0|2,0,0]=4 1617 B6R1.2 c1c(nco1)Cl AB71588 [1,0,0,0,1,0|2,0,0]=4 1618 B6R1.2 c1c(nco1)N AB65031 [1,0,0,0,1,0|2,0,0]=4 1619 B6R1.2 c1c(nsn1)Br AB65649 [1,0,0,0,1,0|2,0,0]=4 1620 B6R1.2 c1c(ocn1)Br AB68491 [1,0,0,0,1,0|2,0,0]=4 1621 B6R1.2 c1c(ocn1)N MB10132 [1,0,0,0,1,0|2,0,0]=4 1622 B6R1.2 c1c(scn1)Br AB42975 [1,0,0,0,1,0|2,0,0]=4 1623 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,1,0|2,0,0]=4 1624 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,1,0|2,0,0]=4 1625 B6R1.2 c1cn(cn1)N AB53511 [1,0,0,0,1,0|2,0,0]=4 1626 B6R1.2 c1cnoc1N MB00706 [1,0,0,0,1,0|2,0,0]=4 1627 B6R1.2 c1coc(n1)Br AB53255 [1,0,0,0,1,0|2,0,0]=4 1628 B6R1.2 c1coc(n1)I PB15201 [1,0,0,0,1,0|2,0,0]=4 1629 B6R1.2 c1coc(n1)N MB04324 [1,0,0,0,1,0|2,0,0]=4 1630 B6R1.2 c1conc1N PB33787 [1,0,0,0,1,0|2,0,0]=4 1631 B6R1.2 c1conc1O MB20248 [1,0,0,0,1,0|1,0,0]=3 1632 B6R1.2 c1csc(n1)Br AB00399 [1,0,0,0,1,0|2,0,0]=4 1633 B6R1.2 c1csc(n1)Cl CB10295 [1,0,0,0,1,0|2,0,0]=4 1634 B6R1.2 c1csc(n1)O AB10887 [1,0,0,0,1,0|1,0,0]=3 1635 B6R1.2 c1cscc1N MB09694 [1,0,0,0,1,0|2,0,0]=4 1636 B6R1.2 c1cscc1N PB23357 [1,0,0,0,1,0|2,0,0]=4 1637 B6R1.2 c1nc(sn1)N AB08270 [1,0,0,0,1,0|2,0,0]=4