0 B7R1.3 Cc1cccnn1 PB33649 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 Cc1ccncn1 PB17038 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 Cc1ccnnc1 PB24546 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 Cc1nccnn1 AB55984 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.3 c1c(cncn1)Br PB28945 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 c1c(cncn1)Cl AB16528 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 c1c(cncn1)N PB12745 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 c1c(cncn1)O PB27730 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 c1cc(cnc1)Br AB00739 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 c1cc(cnc1)I AB01382 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 c1cc(cnc1)[O-] MB00567 [0,0,0,0,0,0|1,0,1]=2 11 B7R1.3 c1cc(nnc1)Br MB08580 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 c1cc(nnc1)Cl AB30021 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.3 c1cc(nnc1)Cl PB34726 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 c1cc(nnc1)N PB17217 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 c1cc(nnc1)O PB32258 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 c1ccnc(c1)Br AB00627 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 c1cnc(cn1)Br MB06072 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 c1cnc(cn1)I AB08841 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 c1cnc(cn1)N PB30528 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 c1cnc(cn1)O AB05056 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 c1cnc(nc1)Cl AB00572 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 c1cnc(nc1)N MB00175 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 c1cnccc1Br AB05093 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.3 c1cnccc1I AB10861 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 c1cnccc1O PB17041 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.3 c1cncnc1Br PB10690 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.3 c1cncnc1Cl AB43600 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 c1cncnc1Cl PB13479 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.3 c1cncnc1N PB11581 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.3 c1cncnc1O PB32093 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.3 c1cnnc(n1)Cl AB72415 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.3 c1cnnc(n1)N AB00769 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.3 c1cnncc1Br AB48350 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.3 c1cnncc1Cl AB50535 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.3 c1cnncc1I AB70137 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.3 c1cnncc1N PB29051 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.3 c1cnncc1N PB39062 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.2 C#Cc1ccccn1 PB17077 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.2 C#Cc1cccnc1 PB29186 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.2 C#Cc1cccnn1 PB34819 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.2 C#Cc1ccncc1 PB29291 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 C#Cc1ccncn1 AB69106 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.2 C#Cc1cnccn1 PB18058 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.2 C#Cc1cncnc1 PB12263 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.2 C#Cc1ncccn1 AB61370 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.2 CNc1cccnc1 AB09114 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.2 CNc1ccncn1 AB60623 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.2 CNc1cncnc1 AB60774 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.2 CNc1ncccn1 AB05135 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.2 COc1cccnc1 AB06864 [0,1,0,0,0,0|1,0,0]=2 51 B8R1.2 COc1cccnn1 AB05130 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.2 COc1ccnnc1 AB44150 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.2 c1c(cncn1)C#N PB29060 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.2 c1c(cncn1)C=O PB32342 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.2 c1c(cncn1)CCl PB31962 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.2 c1c(cncn1)CCl PB34530 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.2 c1c(cncn1)CN PB26277 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.2 c1c(cncn1)CO PB18631 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.2 c1c(cncn1)NN PB30357 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.2 c1cc(cnc1)C=O AB00744 [0,1,0,0,0,0|1,0,1]=3 61 B8R1.2 c1cc(cnc1)CCl AB01984 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.2 c1cc(cnc1)CN AB00752 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 c1cc(cnc1)NN AB42924 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.2 c1cc(cnc1)NN PB18886 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.2 c1cc(nnc1)C#N PB19049 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.2 c1cc(nnc1)C=O PB20119 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.2 c1cc(nnc1)CCl PB28814 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.2 c1cc(nnc1)CN PB29341 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.2 c1cc(nnc1)CO PB30818 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.2 c1ccnc(c1)C=O AB00680 [0,1,0,0,0,0|1,0,1]=3 71 B8R1.2 c1ccnc(c1)CBr MB02148 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 c1ccnc(c1)CCl AB22495 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.2 c1ccnc(c1)CN AB00731 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.2 c1cnc(cn1)C#N AB02102 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.2 c1cnc(cn1)C=O PB19982 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.2 c1cnc(cn1)CCl PB20483 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.2 c1cnc(cn1)CN PB14180 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.2 c1cnc(cn1)CO PB21779 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.2 c1cnc(cn1)NN PB12798 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.2 c1cnc(nc1)C#N PB27459 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.2 c1cnc(nc1)C=O PB34235 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.2 c1cnc(nc1)CCl PB20403 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.2 c1cnc(nc1)CN CB11589 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.2 c1cnc(nc1)CN PB23443 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.2 c1cnc(nc1)CO PB12410 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.2 c1cnc(nc1)NN PB10192 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.2 c1cnccc1C=O AB00754 [0,1,0,0,0,0|1,0,1]=3 88 B8R1.2 c1cnccc1CCl AB15539 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.2 c1cnccc1CN AB00767 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.2 c1cnccc1NN PB27392 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.2 c1cnccc1ON AB31585 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.2 c1cncnc1C=O AB16150 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.2 c1cncnc1CCl AB58895 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.2 c1cncnc1CN PB10439 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.2 c1cncnc1CO PB12296 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.2 c1cnncc1C#N PB16131 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.2 c1cnncc1C=O PB17346 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.2 c1cnncc1CN PB31361 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.2 c1cnncc1CO PB26178 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.3 C1C=C(C=NC1=S)N AB31875 [0,1,0,0,0,0|1,1,1]=4 101 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.3 Cc1ccc(cn1)Br AB06624 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.3 Cc1ccc(cn1)Cl AB17956 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.3 Cc1ccc(cn1)F PB18589 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.3 Cc1ccc(cn1)N PB32227 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.3 Cc1ccc(cn1)O PB30543 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.3 Cc1ccc(nc1)Br PB17145 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.3 Cc1ccc(nc1)Cl AB07104 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.3 Cc1ccc(nc1)F AB01857 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.3 Cc1ccc(nc1)N AB17938 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.3 Cc1ccc(nc1)O AB13138 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.3 Cc1ccc(nn1)Br PB26503 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.3 Cc1ccc(nn1)Cl PB20885 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.3 Cc1ccc(nn1)I PB11607 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.3 Cc1ccc(nn1)N PB33947 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.3 Cc1cnc(cn1)Br PB27954 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.3 Cc1cnc(cn1)Cl AB02272 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.3 Cc1cnc(cn1)N PB32613 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.3 Cc1cnc(nc1)Cl PB25116 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.3 Cc1cnc(nc1)N AB06143 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.3 Cc1ncc(cn1)Br PB18804 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.3 Cc1ncc(cn1)Cl AB56396 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.3 Cc1ncc(cn1)N PB10666 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.3 Cc1ncc(cn1)O AB54467 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.3 c1c(cnc(n1)Br)F PB19026 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.3 c1c(cnc(n1)Br)N PB24997 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.3 c1c(cnc(n1)Br)O PB31459 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.3 c1c(cnc(n1)Cl)Br PB21707 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.3 c1c(cnc(n1)Cl)Cl PB33909 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.3 c1c(cnc(n1)Cl)F PB15753 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.3 c1c(cnc(n1)Cl)I AB23016 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.3 c1c(cnc(n1)Cl)N PB21893 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.3 c1c(cnc(n1)Cl)O PB12674 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.3 c1c(cnc(n1)F)Br AB42957 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.3 c1c(cnc(n1)I)Br PB12227 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.3 c1c(cnc(n1)N)Br PB10032 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.3 c1c(cnc(n1)N)Cl AB01163 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.3 c1c(cnc(n1)N)O PB32565 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.3 c1c(cnc(n1)O)Br AB05049 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.3 c1c(cnc(n1)O)Cl AB03656 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.3 c1c(ncc(n1)Br)Br PB17488 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.3 c1c(ncc(n1)Br)Cl PB26374 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.3 c1c(ncc(n1)Br)F MB14114 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.3 c1c(ncc(n1)Br)N PB26019 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.3 c1c(ncc(n1)Br)O PB26179 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.3 c1c(ncc(n1)Cl)Cl PB21866 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.3 c1c(ncc(n1)Cl)F AB50800 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.3 c1c(ncc(n1)Cl)N PB14352 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.3 c1c(ncc(n1)F)F AB85705 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.3 c1c(ncc(n1)I)Br PB27853 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.3 c1c(ncc(n1)I)Cl AB54777 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.3 c1c(ncc(n1)N)N AB53076 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.3 c1c(ncc(n1)O)O AB44015 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.3 c1c[n+](ccc1F)[O-] PB19565 [0,1,0,0,0,0|1,0,1]=3 156 B8R1.3 c1cc(ncc1Br)Br AB00634 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.3 c1cc(ncc1Br)Cl AB08767 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.3 c1cc(ncc1Br)F PB30707 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.3 c1cc(ncc1Br)N PB30536 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.3 c1cc(ncc1Br)O AB05097 [0,1,0,0,0,0|1,0,0]=2 161 B8R1.3 c1cc(ncc1Br)S AB51097 [0,1,0,0,0,0|1,1,0]=3 162 B8R1.3 c1cc(ncc1Cl)Br AB05069 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.3 c1cc(ncc1Cl)F AB17577 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.3 c1cc(ncc1Cl)I AB32114 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.3 c1cc(ncc1Cl)N AB00712 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.3 c1cc(ncc1F)Br PB17160 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.3 c1cc(ncc1F)I AB42989 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.3 c1cc(ncc1F)N AB10107 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.3 c1cc(ncc1I)Br PB14333 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.3 c1cc(ncc1I)Cl AB10394 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.3 c1cc(ncc1I)N PB25985 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.3 c1cc(ncc1I)O AB05112 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.3 c1cc(ncc1N)Br PB17224 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.3 c1cc(ncc1N)Cl AB00661 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.3 c1cc(ncc1N)F PB33962 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.3 c1cc(ncc1N)O AB15078 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.3 c1cc(ncc1O)Br PB15771 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.3 c1cc(ncc1O)Cl PB32188 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.3 c1cc(ncc1O)F AB08123 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.3 c1cc(ncc1O)I AB50021 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.3 c1cc(ncc1O)N AB15563 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.3 c1cc(nnc1Br)Br PB10150 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.3 c1cc(nnc1Cl)I PB14577 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.3 c1cc(nnc1N)Br PB12750 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.3 c1cc(nnc1N)Cl PB30569 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.3 c1cc(nnc1N)I PB29756 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.3 c1cc(nnc1O)Cl PB29050 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,1,0,0,0,0|1,0,2]=4 190 B8R1.4 Cc1cc(ccn1)Br AB17599 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.4 Cc1cc(ccn1)Br PB26077 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.4 Cc1cc(ccn1)Cl AB01756 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.4 Cc1cc(ccn1)F AB17919 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.4 Cc1cc(ccn1)O PB24839 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.4 Cc1cc(cnc1)Br AB09597 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.4 Cc1cc(cnc1)Cl AB17994 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.4 Cc1cc(cnc1)F AB13643 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.4 Cc1cc(cnc1)N AB17573 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.4 Cc1cc(cnc1)O MB01362 [0,1,0,0,0,0|1,0,0]=2 200 B8R1.4 Cc1cc(cnn1)N MB11385 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.4 Cc1cc(ncn1)C PB24534 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.4 Cc1cc(ncn1)Cl PB29204 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.4 Cc1cc(ncn1)N PB12118 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.4 Cc1cc(nnc1)Cl PB14716 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.4 Cc1cc(nnc1)N AB61142 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.4 Cc1cccc(n1)Br AB01812 [0,1,0,0,0,0|2,0,0]=3 208 B8R1.4 Cc1cccc(n1)Cl AB00666 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.4 Cc1cccc(n1)F AB01860 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.4 Cc1cccc(n1)N AB00717 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.4 Cc1cccc(n1)O AB00679 [0,1,0,0,0,0|1,0,0]=2 212 B8R1.4 Cc1cccc(n1)S AB25230 [0,1,0,0,0,0|1,1,0]=3 213 B8R1.4 Cc1ccnc(c1)Br AB03099 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.4 Cc1ccnc(c1)Cl PB10051 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.4 Cc1ccnc(c1)F AB01854 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.4 Cc1ccnc(c1)N AB00703 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.4 Cc1ccnc(c1)O AB03735 [0,1,0,0,0,0|1,0,0]=2 218 B8R1.4 Cc1ccnc(n1)Cl PB14106 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.4 Cc1ccnc(n1)N MB00179 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.4 Cc1cncc(n1)Br AB48617 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.4 Cc1cncc(n1)Cl AB02267 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.4 Cc1cncc(n1)N AB43812 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.4 Cc1nccc(n1)Cl PB30633 [0,1,0,0,0,0|3,0,0]=4 224 B8R1.4 Cc1nccc(n1)N AB06587 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.4 c1c(cncc1Br)Br AB01172 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.4 c1c(cncc1Br)Cl AB18001 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.4 c1c(cncc1Br)N PB12251 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.4 c1c(cncc1Br)O PB30658 [0,1,0,0,0,0|1,0,0]=2 229 B8R1.4 c1c(cncc1Cl)Cl AB00743 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.4 c1c(cncc1Cl)F AB21896 [0,1,0,0,0,0|2,0,0]=3 231 B8R1.4 c1c(cncc1Cl)N AB15758 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.4 c1c(cncc1F)F AB14383 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.4 c1c(cncc1F)N AB05123 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.4 c1c(cncc1F)O AB13569 [0,1,0,0,0,0|1,0,0]=2 235 B8R1.4 c1c(cncc1I)Br AB13102 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.4 c1c(cncc1I)Cl AB43784 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.4 c1c(cncc1I)F AB45557 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.4 c1c(cncc1I)I PB19957 [0,1,0,0,0,0|2,0,0]=3 239 B8R1.4 c1c(cncc1I)N AB43802 [0,1,0,0,0,0|2,0,0]=3 240 B8R1.4 c1c(cncc1N)N AB07746 [0,1,0,0,0,0|2,0,0]=3 241 B8R1.4 c1c(cncc1O)N AB17983 [0,1,0,0,0,0|1,0,0]=2 242 B8R1.4 c1c(cncc1O)O MB02073 [0,1,0,0,0,0|1,0,0]=2 243 B8R1.4 c1c(cnnc1Br)Br AB70143 [0,1,0,0,0,0|3,0,0]=4 244 B8R1.4 c1c(cnnc1Cl)Br AB70142 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.4 c1c(cnnc1Cl)Cl AB61136 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.4 c1c(cnnc1Cl)N PB20792 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.4 c1c(cnnc1N)Cl PB15393 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.4 c1c(cnnc1O)Cl AB61137 [0,1,0,0,0,0|2,0,0]=3 249 B8R1.4 c1c(nc(cn1)Br)Br AB52791 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.4 c1c(nc(cn1)Br)Cl AB48957 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.4 c1c(nc(cn1)Br)F MB14129 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.4 c1c(nc(cn1)Br)N AB60541 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.4 c1c(nc(cn1)Cl)Cl PB14072 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.4 c1c(nc(cn1)Cl)F MB14158 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [0,1,0,0,0,0|2,0,0]=3 257 B8R1.4 c1c(ncnc1Br)Br PB17157 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.4 c1c(ncnc1Br)Cl AB48958 [0,1,0,0,0,0|3,0,0]=4 259 B8R1.4 c1c(ncnc1Br)F MB14209 [0,1,0,0,0,0|3,0,0]=4 260 B8R1.4 c1c(ncnc1Br)N MB00979 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.4 c1c(ncnc1Cl)Cl AB00591 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.4 c1c(ncnc1Cl)N PB24577 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.4 c1c(ncnc1Cl)O AB05055 [0,1,0,0,0,0|2,0,0]=3 264 B8R1.4 c1c(ncnc1I)Cl AB66284 [0,1,0,0,0,0|3,0,0]=4 265 B8R1.4 c1c(ncnc1O)N AB02119 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.4 c1cc(c[n+](c1)[O-])Br AB09548 [0,1,0,0,0,0|1,0,1]=3 267 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [0,1,0,0,0,0|2,0,0]=3 268 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [0,1,0,0,0,0|2,0,0]=3 269 B8R1.4 c1cc(nc(c1)Br)F AB13626 [0,1,0,0,0,0|2,0,0]=3 270 B8R1.4 c1cc(nc(c1)Br)N PB32140 [0,1,0,0,0,0|2,0,0]=3 271 B8R1.4 c1cc(nc(c1)Br)O AB05100 [0,1,0,0,0,0|1,0,0]=2 272 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [0,1,0,0,0,0|2,0,0]=3 273 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [0,1,0,0,0,0|2,0,0]=3 274 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [0,1,0,0,0,0|2,0,0]=3 275 B8R1.4 c1cc(nc(c1)F)N AB17974 [0,1,0,0,0,0|2,0,0]=3 276 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [0,1,0,0,0,0|2,0,0]=3 277 B8R1.4 c1cc(nc(c1)I)I AB31088 [0,1,0,0,0,0|2,0,0]=3 278 B8R1.4 c1cc(nc(c1)I)N AB42508 [0,1,0,0,0,0|2,0,0]=3 279 B8R1.4 c1cnc(cc1Br)Br PB10210 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.4 c1cnc(cc1Br)Cl AB16617 [0,1,0,0,0,0|2,0,0]=3 281 B8R1.4 c1cnc(cc1Br)F AB17567 [0,1,0,0,0,0|2,0,0]=3 282 B8R1.4 c1cnc(cc1Br)I AB31627 [0,1,0,0,0,0|2,0,0]=3 283 B8R1.4 c1cnc(cc1Br)N PB12936 [0,1,0,0,0,0|2,0,0]=3 284 B8R1.4 c1cnc(cc1Cl)Br PB23373 [0,1,0,0,0,0|2,0,0]=3 285 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [0,1,0,0,0,0|2,0,0]=3 286 B8R1.4 c1cnc(cc1Cl)F AB17564 [0,1,0,0,0,0|2,0,0]=3 287 B8R1.4 c1cnc(cc1Cl)N PB32361 [0,1,0,0,0,0|2,0,0]=3 288 B8R1.4 c1cnc(cc1Cl)O AB13188 [0,1,0,0,0,0|1,0,0]=2 289 B8R1.4 c1cnc(cc1F)Br AB50032 [0,1,0,0,0,0|2,0,0]=3 290 B8R1.4 c1cnc(cc1F)Cl AB17349 [0,1,0,0,0,0|2,0,0]=3 291 B8R1.4 c1cnc(cc1F)F PB26122 [0,1,0,0,0,0|2,0,0]=3 292 B8R1.4 c1cnc(cc1F)N AB50025 [0,1,0,0,0,0|2,0,0]=3 293 B8R1.4 c1cnc(cc1I)Br PB29229 [0,1,0,0,0,0|2,0,0]=3 294 B8R1.4 c1cnc(cc1I)Cl PB17253 [0,1,0,0,0,0|2,0,0]=3 295 B8R1.4 c1cnc(cc1I)F PB12274 [0,1,0,0,0,0|2,0,0]=3 296 B8R1.4 c1cnc(cc1I)N PB10642 [0,1,0,0,0,0|2,0,0]=3 297 B8R1.4 c1cnc(cc1N)Br PB30686 [0,1,0,0,0,0|2,0,0]=3 298 B8R1.4 c1cnc(cc1N)Cl PB24583 [0,1,0,0,0,0|2,0,0]=3 299 B8R1.4 c1cnc(cc1N)F PB21208 [0,1,0,0,0,0|2,0,0]=3 300 B8R1.4 c1cnc(cc1N)O PB15716 [0,1,0,0,0,0|1,0,0]=2 301 B8R1.4 c1cnc(cc1O)Br AB05095 [0,1,0,0,0,0|1,0,0]=2 302 B8R1.4 c1cnc(cc1O)Cl AB09576 [0,1,0,0,0,0|1,0,0]=2 303 B8R1.4 c1cnc(cc1O)F AB17930 [0,1,0,0,0,0|1,0,0]=2 304 B8R1.4 c1cnc(cc1O)I MB26582 [0,1,0,0,0,0|1,0,0]=2 305 B8R1.4 c1cnc(cc1O)N AB17934 [0,1,0,0,0,0|1,0,0]=2 306 B8R1.4 c1cnc(nc1Br)Br PB17395 [0,1,0,0,0,0|3,0,0]=4 307 B8R1.4 c1cnc(nc1Br)F MB14189 [0,1,0,0,0,0|3,0,0]=4 308 B8R1.4 c1cnc(nc1Br)N PB13233 [0,1,0,0,0,0|3,0,0]=4 309 B8R1.4 c1cnc(nc1Cl)Br MB10108 [0,1,0,0,0,0|3,0,0]=4 310 B8R1.4 c1cnc(nc1Cl)Cl AB00576 [0,1,0,0,0,0|3,0,0]=4 311 B8R1.4 c1cnc(nc1Cl)N PB21638 [0,1,0,0,0,0|3,0,0]=4 312 B8R1.4 c1cnc(nc1Cl)O AB68453 [0,1,0,0,0,0|2,0,0]=3 313 B8R1.4 c1cnc(nc1F)Br MB14089 [0,1,0,0,0,0|3,0,0]=4 314 B8R1.4 c1cnc(nc1N)Br MB09311 [0,1,0,0,0,0|3,0,0]=4 315 B8R1.4 c1cnc(nc1N)Cl PB14147 [0,1,0,0,0,0|3,0,0]=4 316 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [0,1,0,0,0,0|0,0,2]=3 317 B8R1.5 Cc1c(cccn1)Br PB27472 [0,1,0,0,0,0|2,0,0]=3 318 B8R1.5 Cc1c(cccn1)Cl AB17903 [0,1,0,0,0,0|2,0,0]=3 319 B8R1.5 Cc1c(cccn1)F AB48604 [0,1,0,0,0,0|2,0,0]=3 320 B8R1.5 Cc1c(cccn1)N PB33695 [0,1,0,0,0,0|2,0,0]=3 321 B8R1.5 Cc1c(cccn1)O PB18442 [0,1,0,0,0,0|1,0,0]=2 322 B8R1.5 Cc1c(ccnn1)N MB11382 [0,1,0,0,0,0|3,0,0]=4 323 B8R1.5 Cc1c(cncn1)Br PB26552 [0,1,0,0,0,0|3,0,0]=4 324 B8R1.5 Cc1c(cncn1)N PB26435 [0,1,0,0,0,0|3,0,0]=4 325 B8R1.5 Cc1c(nccn1)Br PB10597 [0,1,0,0,0,0|3,0,0]=4 326 B8R1.5 Cc1c(nccn1)Cl PB18413 [0,1,0,0,0,0|3,0,0]=4 327 B8R1.5 Cc1c(nccn1)I PB26409 [0,1,0,0,0,0|3,0,0]=4 328 B8R1.5 Cc1c(nccn1)N PB32667 [0,1,0,0,0,0|3,0,0]=4 329 B8R1.5 Cc1c(nccn1)O PB12942 [0,1,0,0,0,0|2,0,0]=3 330 B8R1.5 Cc1cccnc1Br AB05448 [0,1,0,0,0,0|2,0,0]=3 331 B8R1.5 Cc1cccnc1Cl AB05179 [0,1,0,0,0,0|2,0,0]=3 332 B8R1.5 Cc1cccnc1N AB17908 [0,1,0,0,0,0|2,0,0]=3 333 B8R1.5 Cc1cccnc1O AB03538 [0,1,0,0,0,0|1,0,0]=2 334 B8R1.5 Cc1ccncc1Br AB03104 [0,1,0,0,0,0|2,0,0]=3 335 B8R1.5 Cc1ccncc1Cl AB18019 [0,1,0,0,0,0|2,0,0]=3 336 B8R1.5 Cc1ccncc1F AB18002 [0,1,0,0,0,0|2,0,0]=3 337 B8R1.5 Cc1ccncc1N PB14127 [0,1,0,0,0,0|2,0,0]=3 338 B8R1.5 Cc1ccncc1O PB23391 [0,1,0,0,0,0|1,0,0]=2 339 B8R1.5 Cc1ccnnc1Cl PB34304 [0,1,0,0,0,0|3,0,0]=4 340 B8R1.5 Cc1ccnnc1N MB06298 [0,1,0,0,0,0|3,0,0]=4 341 B8R1.5 Cc1cnccc1Br AB20846 [0,1,0,0,0,0|2,0,0]=3 342 B8R1.5 Cc1cnccc1Br PB23248 [0,1,0,0,0,0|2,0,0]=3 343 B8R1.5 Cc1cnccc1Cl AB11511 [0,1,0,0,0,0|2,0,0]=3 344 B8R1.5 Cc1cnccc1F AB18013 [0,1,0,0,0,0|2,0,0]=3 345 B8R1.5 Cc1cnccc1N PB17234 [0,1,0,0,0,0|2,0,0]=3 346 B8R1.5 Cc1cncnc1Cl AB44072 [0,1,0,0,0,0|3,0,0]=4 347 B8R1.5 Cc1cncnc1N AB54983 [0,1,0,0,0,0|3,0,0]=4 348 B8R1.5 Cc1cncnc1O AB09558 [0,1,0,0,0,0|2,0,0]=3 349 B8R1.5 Cc1cnncc1N MB11384 [0,1,0,0,0,0|3,0,0]=4 350 B8R1.5 c1c(c(ncn1)Br)N MB08406 [0,1,0,0,0,0|3,0,0]=4 351 B8R1.5 c1c(c(ncn1)Cl)Br PB14722 [0,1,0,0,0,0|3,0,0]=4 352 B8R1.5 c1c(c(ncn1)Cl)Cl PB28007 [0,1,0,0,0,0|3,0,0]=4 353 B8R1.5 c1c(c(ncn1)Cl)F AB51357 [0,1,0,0,0,0|3,0,0]=4 354 B8R1.5 c1c(c(ncn1)Cl)I PB23589 [0,1,0,0,0,0|3,0,0]=4 355 B8R1.5 c1c(c(ncn1)I)Br PB11068 [0,1,0,0,0,0|3,0,0]=4 356 B8R1.5 c1c(c(ncn1)N)Br MB00976 [0,1,0,0,0,0|3,0,0]=4 357 B8R1.5 c1c(c(ncn1)N)N AB00594 [0,1,0,0,0,0|3,0,0]=4 358 B8R1.5 c1c(c(ncn1)O)Br PB32183 [0,1,0,0,0,0|2,0,0]=3 359 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [0,1,0,0,0,0|2,0,0]=3 360 B8R1.5 c1c(c(ncn1)O)I PB34035 [0,1,0,0,0,0|2,0,0]=3 361 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [0,1,0,0,0,0|2,0,0]=3 362 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [0,1,0,0,0,0|2,0,0]=3 363 B8R1.5 c1cc(c(nc1)Br)F PB14380 [0,1,0,0,0,0|2,0,0]=3 364 B8R1.5 c1cc(c(nc1)Br)I MB06974 [0,1,0,0,0,0|2,0,0]=3 365 B8R1.5 c1cc(c(nc1)Br)N AB17900 [0,1,0,0,0,0|2,0,0]=3 366 B8R1.5 c1cc(c(nc1)Br)N PB26005 [0,1,0,0,0,0|2,0,0]=3 367 B8R1.5 c1cc(c(nc1)Br)O PB28951 [0,1,0,0,0,0|1,0,0]=2 368 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [0,1,0,0,0,0|2,0,0]=3 369 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [0,1,0,0,0,0|2,0,0]=3 370 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [0,1,0,0,0,0|2,0,0]=3 371 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [0,1,0,0,0,0|2,0,0]=3 372 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [0,1,0,0,0,0|2,0,0]=3 373 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [0,1,0,0,0,0|1,0,0]=2 374 B8R1.5 c1cc(c(nc1)F)I AB13652 [0,1,0,0,0,0|2,0,0]=3 375 B8R1.5 c1cc(c(nc1)F)N AB17917 [0,1,0,0,0,0|2,0,0]=3 376 B8R1.5 c1cc(c(nc1)I)Br AB45745 [0,1,0,0,0,0|2,0,0]=3 377 B8R1.5 c1cc(c(nc1)I)F AB13656 [0,1,0,0,0,0|2,0,0]=3 378 B8R1.5 c1cc(c(nc1)I)I AB25846 [0,1,0,0,0,0|2,0,0]=3 379 B8R1.5 c1cc(c(nc1)I)O MB00322 [0,1,0,0,0,0|1,0,0]=2 380 B8R1.5 c1cc(c(nc1)N)Br PB20016 [0,1,0,0,0,0|2,0,0]=3 381 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [0,1,0,0,0,0|2,0,0]=3 382 B8R1.5 c1cc(c(nc1)N)F AB17912 [0,1,0,0,0,0|2,0,0]=3 383 B8R1.5 c1cc(c(nc1)N)I PB12756 [0,1,0,0,0,0|2,0,0]=3 384 B8R1.5 c1cc(c(nc1)N)O AB00700 [0,1,0,0,0,0|1,0,0]=2 385 B8R1.5 c1cc(c(nc1)N)O AB17906 [0,1,0,0,0,0|1,0,0]=2 386 B8R1.5 c1cc(c(nc1)N)S AB64540 [0,1,0,0,0,0|1,1,0]=3 387 B8R1.5 c1cc(c(nc1)O)Br PB12284 [0,1,0,0,0,0|1,0,0]=2 388 B8R1.5 c1cc(c(nc1)O)F AB13427 [0,1,0,0,0,0|1,0,0]=2 389 B8R1.5 c1cc(c(nc1)O)I AB53303 [0,1,0,0,0,0|1,0,0]=2 390 B8R1.5 c1cc(c(nc1)O)N PB30752 [0,1,0,0,0,0|1,0,0]=2 391 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [0,1,0,0,0,0|1,0,1]=3 392 B8R1.5 c1cn[nH]c(=O)c1Cl PB31005 [0,1,0,0,0,0|2,0,1]=4 393 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [0,1,0,0,0,0|3,0,0]=4 394 B8R1.5 c1cnc(c(n1)N)Br MB08183 [0,1,0,0,0,0|3,0,0]=4 395 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [0,1,0,0,0,0|3,0,0]=4 396 B8R1.5 c1cnc(c(n1)N)N PB10452 [0,1,0,0,0,0|3,0,0]=4 397 B8R1.5 c1cncc(c1Br)Br AB05087 [0,1,0,0,0,0|2,0,0]=3 398 B8R1.5 c1cncc(c1Br)Cl AB17643 [0,1,0,0,0,0|2,0,0]=3 399 B8R1.5 c1cncc(c1Br)F PB23387 [0,1,0,0,0,0|2,0,0]=3 400 B8R1.5 c1cncc(c1Br)N AB17638 [0,1,0,0,0,0|2,0,0]=3 401 B8R1.5 c1cncc(c1Br)O AB13187 [0,1,0,0,0,0|1,0,0]=2 402 B8R1.5 c1cncc(c1Cl)Br AB05074 [0,1,0,0,0,0|2,0,0]=3 403 B8R1.5 c1cncc(c1Cl)Cl AB10192 [0,1,0,0,0,0|2,0,0]=3 404 B8R1.5 c1cncc(c1Cl)F AB15511 [0,1,0,0,0,0|2,0,0]=3 405 B8R1.5 c1cncc(c1Cl)I AB05089 [0,1,0,0,0,0|2,0,0]=3 406 B8R1.5 c1cncc(c1Cl)N AB05299 [0,1,0,0,0,0|2,0,0]=3 407 B8R1.5 c1cncc(c1Cl)O AB12281 [0,1,0,0,0,0|1,0,0]=2 408 B8R1.5 c1cncc(c1F)Br AB17892 [0,1,0,0,0,0|2,0,0]=3 409 B8R1.5 c1cncc(c1F)Cl AB21349 [0,1,0,0,0,0|2,0,0]=3 410 B8R1.5 c1cncc(c1F)F AB18023 [0,1,0,0,0,0|2,0,0]=3 411 B8R1.5 c1cncc(c1F)N AB50028 [0,1,0,0,0,0|2,0,0]=3 412 B8R1.5 c1cncc(c1F)O AB64515 [0,1,0,0,0,0|1,0,0]=2 413 B8R1.5 c1cncc(c1I)F PB21191 [0,1,0,0,0,0|2,0,0]=3 414 B8R1.5 c1cncc(c1I)N PB23406 [0,1,0,0,0,0|2,0,0]=3 415 B8R1.5 c1cncc(c1I)O MB06807 [0,1,0,0,0,0|1,0,0]=2 416 B8R1.5 c1cncc(c1N)Br AB28611 [0,1,0,0,0,0|2,0,0]=3 417 B8R1.5 c1cncc(c1N)Cl AB16891 [0,1,0,0,0,0|2,0,0]=3 418 B8R1.5 c1cncc(c1N)F PB33879 [0,1,0,0,0,0|2,0,0]=3 419 B8R1.5 c1cncc(c1N)I AB12095 [0,1,0,0,0,0|2,0,0]=3 420 B8R1.5 c1cncc(c1O)Br AB09574 [0,1,0,0,0,0|1,0,0]=2 421 B8R1.5 c1cncc(c1O)F AB18011 [0,1,0,0,0,0|1,0,0]=2 422 B8R1.5 c1cnnc(c1Br)Cl AB77054 [0,1,0,0,0,0|3,0,0]=4 423 B8R1.5 c1cnnc(c1Br)O AB77052 [0,1,0,0,0,0|2,0,0]=3 424 B8R1.5 c1cnnc(c1Cl)Cl PB30392 [0,1,0,0,0,0|3,0,0]=4 425 B6R1.2 C1=NC(=O)N=C1 AB01798 [0,0,0,0,1,0|2,0,1]=4 426 B6R1.2 C1C=NC(=N1)O AB52896 [0,0,0,0,1,0|2,0,1]=4 427 B6R1.2 CC1=CN=CC1 PB12076 [0,0,0,0,1,0|2,0,1]=4 428 B6R1.2 CC1=NC=CC1 AB12705 [0,0,0,0,1,0|2,0,1]=4 429 B6R1.2 Cc1ccon1 AB01288 [0,0,0,0,1,0|3,0,0]=4 430 B6R1.2 Cc1cocn1 AB63545 [0,0,0,0,1,0|3,0,0]=4 431 B6R1.2 Cn1cccn1 PB33818 [0,0,0,0,1,0|3,0,0]=4 432 B6R1.2 c1c(con1)Br AB11359 [0,0,0,0,1,0|3,0,0]=4 433 B6R1.2 c1c(con1)F AB68759 [0,0,0,0,1,0|3,0,0]=4 434 B6R1.2 c1c(con1)N AB43605 [0,0,0,0,1,0|3,0,0]=4 435 B6R1.2 c1c(csn1)Br AB25618 [0,0,0,0,1,0|3,0,0]=4 436 B6R1.2 c1c(csn1)N AB11898 [0,0,0,0,1,0|3,0,0]=4 437 B6R1.2 c1c(nco1)Br AB71589 [0,0,0,0,1,0|3,0,0]=4 438 B6R1.2 c1c(nco1)Cl AB71588 [0,0,0,0,1,0|3,0,0]=4 439 B6R1.2 c1c(nco1)N AB65031 [0,0,0,0,1,0|3,0,0]=4 440 B6R1.2 c1c(ocn1)Br AB68491 [0,0,0,0,1,0|3,0,0]=4 441 B6R1.2 c1c(ocn1)N MB10132 [0,0,0,0,1,0|3,0,0]=4 442 B6R1.2 c1c(scn1)Br AB42975 [0,0,0,0,1,0|3,0,0]=4 443 B6R1.2 c1cc(oc1)Br AB04890 [0,0,0,0,1,0|2,0,0]=3 444 B6R1.2 c1cc(sc1)N AB08372 [0,0,0,0,1,0|2,0,0]=3 445 B6R1.2 c1ccn(c1)N PB33802 [0,0,0,0,1,0|2,0,0]=3 446 B6R1.2 c1cn(cn1)N AB53511 [0,0,0,0,1,0|3,0,0]=4 447 B6R1.2 c1cnoc1N MB00706 [0,0,0,0,1,0|3,0,0]=4 448 B6R1.2 c1coc(n1)Br AB53255 [0,0,0,0,1,0|3,0,0]=4 449 B6R1.2 c1coc(n1)I PB15201 [0,0,0,0,1,0|3,0,0]=4 450 B6R1.2 c1coc(n1)N MB04324 [0,0,0,0,1,0|3,0,0]=4 451 B6R1.2 c1conc1N PB33787 [0,0,0,0,1,0|3,0,0]=4 452 B6R1.2 c1conc1O MB20248 [0,0,0,0,1,0|2,0,0]=3 453 B6R1.2 c1csc(n1)Br AB00399 [0,0,0,0,1,0|3,0,0]=4 454 B6R1.2 c1csc(n1)Cl CB10295 [0,0,0,0,1,0|3,0,0]=4 455 B6R1.2 c1csc(n1)O AB10887 [0,0,0,0,1,0|2,0,0]=3 456 B6R1.2 c1cscc1N MB09694 [0,0,0,0,1,0|2,0,0]=3 457 B6R1.2 c1cscc1N PB23357 [0,0,0,0,1,0|2,0,0]=3 458 B7R1.1 COc1nccs1 AB09330 [0,1,0,0,1,0|2,0,0]=4 459 B7R1.1 c1c(con1)CO PB14463 [0,1,0,0,1,0|2,0,0]=4 460 B7R1.1 c1c(nco1)CO PB29559 [0,1,0,0,1,0|2,0,0]=4 461 B7R1.1 c1c(ncs1)CO AB20478 [0,1,0,0,1,0|2,0,0]=4 462 B7R1.1 c1c(ocn1)CO PB32681 [0,1,0,0,1,0|2,0,0]=4 463 B7R1.1 c1c(scn1)CO AB20492 [0,1,0,0,1,0|2,0,0]=4 464 B7R1.1 c1cc(oc1)C#N AB00309 [0,1,0,0,1,0|2,0,0]=4 465 B7R1.1 c1cc(oc1)CCl MB06568 [0,1,0,0,1,0|2,0,0]=4 466 B7R1.1 c1cc(sc1)CN PB17027 [0,1,0,0,1,0|2,0,0]=4 467 B7R1.1 c1cc(sc1)CO PB10001 [0,1,0,0,1,0|1,0,0]=3 468 B7R1.1 c1cnoc1CO AB28102 [0,1,0,0,1,0|2,0,0]=4 469 B7R1.1 c1coc(n1)CO PB27948 [0,1,0,0,1,0|2,0,0]=4 470 B7R1.1 c1conc1CO PB15902 [0,1,0,0,1,0|2,0,0]=4 471 B7R1.1 c1cscc1C#N PB27442 [0,1,0,0,1,0|2,0,0]=4 472 B7R1.1 c1cscc1C=O PB14065 [0,1,0,0,1,0|1,0,1]=4 473 B7R1.1 c1cscc1CN AB13999 [0,1,0,0,1,0|2,0,0]=4 474 B7R1.1 c1cscc1CN PB12237 [0,1,0,0,1,0|2,0,0]=4 475 B7R1.1 c1cscc1CO PB10036 [0,1,0,0,1,0|1,0,0]=3 476 B7R1.2 Cc1cc(cs1)Br AB20690 [0,1,0,0,1,0|2,0,0]=4 477 B7R1.2 Cc1cc(sc1)C CB10250 [0,1,0,0,1,0|2,0,0]=4 478 B7R1.2 Cc1ccc(o1)Br AB64979 [0,1,0,0,1,0|2,0,0]=4 479 B7R1.2 Cc1cnc(o1)O AB53086 [0,1,0,0,1,0|2,0,0]=4 480 B7R1.2 Cc1cnc(s1)O AB53102 [0,1,0,0,1,0|2,0,0]=4 481 B7R1.2 Cn1ccc(c1)Br AB63663 [0,1,0,0,1,0|2,0,0]=4 482 B7R1.2 c1c(csc1Cl)N PB15475 [0,1,0,0,1,0|2,0,0]=4 483 B7R1.4 Cc1c(cco1)N AB71442 [0,1,0,0,1,0|2,0,0]=4 484 B7R1.4 Cc1ccsc1Br PB25943 [0,1,0,0,1,0|2,0,0]=4 485 B7R1.4 c1c(c(cs1)Br)Br AB00432 [0,1,0,0,1,0|2,0,0]=4 486 B7R1.4 c1coc(c1N)Br AB71394 [0,1,0,0,1,0|2,0,0]=4 487 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [0,2,0,0,0,0|1,0,0]=3 488 B9R1.1 C#Cc1ccc(cn1)Br AB13647 [0,2,0,0,0,0|2,0,0]=4 489 B9R1.1 C#Cc1ccc(cn1)Cl AB68972 [0,2,0,0,0,0|2,0,0]=4 490 B9R1.1 C#Cc1ccc(nc1)Br AB68991 [0,2,0,0,0,0|2,0,0]=4 491 B9R1.1 C#Cc1ccc(nc1)Cl AB61374 [0,2,0,0,0,0|2,0,0]=4 492 B9R1.1 C#Cc1ccc(nc1)F AB66584 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.1 C#Cc1ccc(nc1)N AB66565 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.1 C#Cc1ccc(nc1)O AB69001 [0,2,0,0,0,0|1,0,0]=3 495 B9R1.1 CCc1ccc(cn1)N AB63590 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.1 CCc1ccc(cn1)O MB03842 [0,2,0,0,0,0|1,0,0]=3 497 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,2,0,0,0,0|2,0,0]=4 498 B9R1.1 CNc1ccc(cn1)Br AB44353 [0,2,0,0,0,0|2,0,0]=4 499 B9R1.1 CNc1ccc(cn1)Cl AB07756 [0,2,0,0,0,0|2,0,0]=4 500 B9R1.1 CNc1ccc(cn1)O AB69733 [0,2,0,0,0,0|1,0,0]=3 501 B9R1.1 CNc1ccc(nc1)Br MB01005 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.1 CNc1ccc(nc1)Cl AB60605 [0,2,0,0,0,0|2,0,0]=4 503 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [0,2,0,0,0,0|2,0,0]=4 504 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.1 COc1ccc(cn1)Br AB08771 [0,2,0,0,0,0|1,0,0]=3 506 B9R1.1 COc1ccc(cn1)Cl AB23682 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.1 COc1ccc(cn1)F AB13611 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.1 COc1ccc(cn1)N PB27370 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.1 COc1ccc(cn1)O CB10969 [0,2,0,0,0,0|1,0,0]=3 510 B9R1.1 COc1ccc(nc1)Br PB22062 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.1 COc1ccc(nc1)Cl AB25956 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.1 COc1ccc(nc1)F AB66773 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.1 COc1ccc(nc1)I AB11726 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.1 COc1ccc(nc1)N PB14487 [0,2,0,0,0,0|1,0,0]=3 515 B9R1.1 COc1ccc(nn1)Cl PB28962 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.1 COc1ccc(nn1)I AB59856 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.1 COc1ccc(nn1)N PB23243 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.1 COc1cnc(cn1)Br PB10528 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.1 COc1cnc(cn1)Cl PB22219 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.1 COc1cnc(cn1)I AB75719 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.1 COc1cnc(cn1)N PB26534 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.1 COc1cnc(nc1)Br PB21090 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.1 COc1cnc(nc1)Cl PB32662 [0,2,0,0,0,0|2,0,0]=4 524 B9R1.1 COc1cnc(nc1)N PB30618 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.1 COc1ncc(cn1)Br AB21286 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.1 COc1ncc(cn1)Cl AB42003 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.1 COc1ncc(cn1)N AB43671 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.1 COc1ncc(cn1)O AB58606 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.1 CSc1ccc(cn1)Br AB14151 [0,2,0,0,0,0|1,1,0]=4 530 B9R1.1 CSc1ccc(cn1)O MB25590 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.1 CSc1ccc(nc1)Br MB03440 [0,2,0,0,0,0|1,1,0]=4 532 B9R1.1 CSc1ncc(cn1)O AB04983 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.1 Cc1ccc(cn1)C#N PB30561 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.1 Cc1ccc(cn1)C=C PB17233 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,2,0,0,0,0|1,0,1]=4 536 B9R1.1 Cc1ccc(cn1)CCl AB59938 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.1 Cc1ccc(cn1)CN PB20145 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.1 Cc1ccc(cn1)NN PB15841 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.1 Cc1ccc(cn1)OC AB52739 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,2,0,0,0,0|1,0,1]=4 541 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,2,0,0,0,0|2,0,0]=4 542 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,2,0,0,0,0|2,0,0]=4 543 B9R1.1 Cc1ccc(nn1)CO AB44109 [0,2,0,0,0,0|2,0,0]=4 544 B9R1.1 Cc1ccc(nn1)OC AB51434 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.1 Cc1cnc(nc1)CO PB23808 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.1 Cc1ncc(cn1)CO PB17615 [0,2,0,0,0,0|2,0,0]=4 547 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [0,2,0,0,0,0|1,0,0]=3 548 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.1 c1c(cnc(n1)CO)Br PB16639 [0,2,0,0,0,0|2,0,0]=4 550 B9R1.1 c1c(cnc(n1)CO)Cl PB28152 [0,2,0,0,0,0|2,0,0]=4 551 B9R1.1 c1c(cnc(n1)CO)F PB28593 [0,2,0,0,0,0|2,0,0]=4 552 B9R1.1 c1c(cnc(n1)Cl)CO PB18163 [0,2,0,0,0,0|2,0,0]=4 553 B9R1.1 c1c(cnc(n1)N)CO PB23785 [0,2,0,0,0,0|2,0,0]=4 554 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.1 c1c(cnc(n1)O)CN AB58547 [0,2,0,0,0,0|2,0,0]=4 556 B9R1.1 c1c(cnc(n1)O)CO AB63514 [0,2,0,0,0,0|2,0,0]=4 557 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [0,2,0,0,0,0|2,0,0]=4 558 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.1 c1c[n+](ccc1ON)[O-] AB31589 [0,2,0,0,0,0|1,0,0]=3 560 B9R1.1 c1cc(ccc1CBr)Br AB00113 [0,2,0,0,0,0|1,0,0]=3 561 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [0,2,0,0,0,0|1,0,0]=3 562 B9R1.1 c1cc(ccc1CI)O MB06957 [0,2,0,0,0,0|0,0,0]=2 563 B9R1.1 c1cc(ccc1CN)O AB11678 [0,2,0,0,0,0|0,0,0]=2 564 B9R1.1 c1cc(ncc1Br)C#N PB21694 [0,2,0,0,0,0|2,0,0]=4 565 B9R1.1 c1cc(ncc1Br)C=O PB30785 [0,2,0,0,0,0|1,0,1]=4 566 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,2,0,0,0,0|2,0,0]=4 567 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,2,0,0,0,0|2,0,0]=4 568 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.1 c1cc(ncc1C#N)Br AB05142 [0,2,0,0,0,0|2,0,0]=4 571 B9R1.1 c1cc(ncc1C#N)Cl AB03166 [0,2,0,0,0,0|2,0,0]=4 572 B9R1.1 c1cc(ncc1C#N)F PB16124 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.1 c1cc(ncc1C#N)O PB17354 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.1 c1cc(ncc1C=O)Br PB27654 [0,2,0,0,0,0|1,0,1]=4 575 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [0,2,0,0,0,0|1,0,1]=4 576 B9R1.1 c1cc(ncc1C=O)F PB23560 [0,2,0,0,0,0|1,0,1]=4 577 B9R1.1 c1cc(ncc1C=O)N PB19003 [0,2,0,0,0,0|1,0,1]=4 578 B9R1.1 c1cc(ncc1CBr)F PB28287 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.1 c1cc(ncc1CCl)Br AB59933 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.1 c1cc(ncc1CCl)F PB13291 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.1 c1cc(ncc1CCl)N AB59930 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.1 c1cc(ncc1CN)Br AB27793 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.1 c1cc(ncc1CN)Cl PB17175 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.1 c1cc(ncc1CN)F PB19133 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.1 c1cc(ncc1CO)Br PB14409 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.1 c1cc(ncc1CO)Cl PB17199 [0,2,0,0,0,0|1,0,0]=3 589 B9R1.1 c1cc(ncc1CO)F PB14327 [0,2,0,0,0,0|1,0,0]=3 590 B9R1.1 c1cc(ncc1CO)N PB26211 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,2,0,0,0,0|2,0,0]=4 593 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,2,0,0,0,0|1,0,0]=3 595 B9R1.1 c1cc(ncc1F)C#N AB48767 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.1 c1cc(ncc1F)C=O AB42648 [0,2,0,0,0,0|1,0,1]=4 597 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.1 c1cc(ncc1F)CN AB60189 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.1 c1cc(ncc1F)CO PB22210 [0,2,0,0,0,0|1,0,0]=3 600 B9R1.1 c1cc(ncc1I)C#N MB08761 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.1 c1cc(ncc1N)C#N PB14307 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.1 c1cc(ncc1N)C=O AB67740 [0,2,0,0,0,0|1,0,1]=4 603 B9R1.1 c1cc(ncc1N)CN AB23447 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.1 c1cc(ncc1N)CO AB31872 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.1 c1cc(ncc1O)C#N PB12442 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.1 c1cc(ncc1O)C=O AB59867 [0,2,0,0,0,0|1,0,0]=3 607 B9R1.1 c1cc(ncc1O)CN MB14856 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.1 c1cc(nnc1CO)Cl PB17910 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.2 C#Cc1cc(ccn1)Br AB68985 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.2 C#Cc1cc(ccn1)Cl AB68983 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.2 C#Cc1cc(cnc1)Br AB61376 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.2 C#Cc1cc(cnc1)Cl AB52703 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.2 C#Cc1cc(cnc1)F AB66583 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.2 C#Cc1cc(cnc1)N AB71894 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.2 C#Cc1cccc(n1)Br AB68980 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.2 C#Cc1cccc(n1)Cl AB68981 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.2 C#Cc1ccnc(c1)Br AB69031 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.2 C#Cc1ccnc(c1)Cl AB69028 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.2 C#Cc1ccnc(c1)N AB69041 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.2 C#Cc1ccnc(c1)O AB69040 [0,2,0,0,0,0|1,0,0]=3 621 B9R1.2 C1C(=CC=NC1=O)CO PB31863 [0,2,0,0,0,0|1,0,1]=4 622 B9R1.2 C=Cc1cccc(n1)Br AB74634 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.2 CCc1cc(ccn1)O MB11624 [0,2,0,0,0,0|1,0,0]=3 625 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.2 CCc1cc(cnc1)O MB12329 [0,2,0,0,0,0|1,0,0]=3 627 B9R1.2 CCc1cc(ncn1)O AB54953 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.2 CCc1cccc(n1)Br MB10338 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.2 CNc1cc(ccn1)Br MB07801 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.2 CNc1cc(ccn1)O MB29569 [0,2,0,0,0,0|1,0,0]=3 631 B9R1.2 CNc1cc(cnc1)Br MB13417 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.2 CNc1cc(cnc1)O MB32689 [0,2,0,0,0,0|1,0,0]=3 633 B9R1.2 CNc1cccc(c1)O MB25493 [0,2,0,0,0,0|0,0,0]=2 634 B9R1.2 CNc1cccc(n1)Br AB50070 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.2 CNc1ccnc(c1)Cl AB60612 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.2 COc1cc(ccn1)Br AB44876 [0,2,0,0,0,0|1,0,0]=3 638 B9R1.2 COc1cc(ccn1)Cl AB27571 [0,2,0,0,0,0|1,0,0]=3 639 B9R1.2 COc1cc(ccn1)F AB53299 [0,2,0,0,0,0|1,0,0]=3 640 B9R1.2 COc1cc(ccn1)I MB06098 [0,2,0,0,0,0|1,0,0]=3 641 B9R1.2 COc1cc(ccn1)N PB20942 [0,2,0,0,0,0|1,0,0]=3 642 B9R1.2 COc1cc(ccn1)O MB11972 [0,2,0,0,0,0|1,0,0]=3 643 B9R1.2 COc1cc(cnc1)Br PB24634 [0,2,0,0,0,0|1,0,0]=3 644 B9R1.2 COc1cc(cnc1)Cl AB55073 [0,2,0,0,0,0|1,0,0]=3 645 B9R1.2 COc1cc(cnc1)F AB66777 [0,2,0,0,0,0|1,0,0]=3 646 B9R1.2 COc1cc(cnc1)I AB43793 [0,2,0,0,0,0|1,0,0]=3 647 B9R1.2 COc1cc(cnc1)N PB12653 [0,2,0,0,0,0|1,0,0]=3 648 B9R1.2 COc1cc(cnc1)N PB25488 [0,2,0,0,0,0|1,0,0]=3 649 B9R1.2 COc1cc(cnc1)O AB29711 [0,2,0,0,0,0|1,0,0]=3 650 B9R1.2 COc1cc(cnn1)N AB76247 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.2 COc1cc(ncn1)Br MB14215 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.2 COc1cc(ncn1)Cl AB23017 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.2 COc1cc(ncn1)N PB30606 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.2 COc1cc(nnc1)Cl PB27887 [0,2,0,0,0,0|2,0,0]=4 655 B9R1.2 COc1cccc(n1)Cl AB00671 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.2 COc1cccc(n1)F AB55818 [0,2,0,0,0,0|1,0,0]=3 657 B9R1.2 COc1cccc(n1)I AB31101 [0,2,0,0,0,0|1,0,0]=3 658 B9R1.2 COc1cccc(n1)N AB21183 [0,2,0,0,0,0|1,0,0]=3 659 B9R1.2 COc1cccc(n1)O AB31854 [0,2,0,0,0,0|1,0,0]=3 660 B9R1.2 COc1ccnc(c1)Br AB23696 [0,2,0,0,0,0|1,0,0]=3 661 B9R1.2 COc1ccnc(c1)Cl AB10868 [0,2,0,0,0,0|1,0,0]=3 662 B9R1.2 COc1ccnc(c1)F AB66367 [0,2,0,0,0,0|1,0,0]=3 663 B9R1.2 COc1ccnc(c1)N AB41933 [0,2,0,0,0,0|1,0,0]=3 664 B9R1.2 COc1ccnc(n1)Br MB07472 [0,2,0,0,0,0|2,0,0]=4 665 B9R1.2 COc1cncc(n1)Cl PB29367 [0,2,0,0,0,0|2,0,0]=4 666 B9R1.2 COc1cncc(n1)N AB54770 [0,2,0,0,0,0|2,0,0]=4 667 B9R1.2 COc1nccc(n1)Br AB54361 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.2 COc1nccc(n1)Cl AB49109 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.2 COc1nccc(n1)N PB29013 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.2 CSc1cc(ccn1)Br MB09718 [0,2,0,0,0,0|1,1,0]=4 671 B9R1.2 CSc1cc(ccn1)O MB36936 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.2 CSc1cc(cnc1)Br MB06469 [0,2,0,0,0,0|1,1,0]=4 673 B9R1.2 CSc1cc(cnc1)O MB28894 [0,2,0,0,0,0|1,0,0]=3 674 B9R1.2 CSc1cccc(n1)Br MB07302 [0,2,0,0,0,0|1,1,0]=4 675 B9R1.2 Cc1cc(ccn1)C#C AB66571 [0,2,0,0,0,0|2,0,0]=4 676 B9R1.2 Cc1cc(ccn1)C=O AB24827 [0,2,0,0,0,0|1,0,1]=4 677 B9R1.2 Cc1cc(ccn1)CCl AB59910 [0,2,0,0,0,0|2,0,0]=4 678 B9R1.2 Cc1cc(ccn1)CN AB25370 [0,2,0,0,0,0|2,0,0]=4 679 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,2,0,0,0,0|1,0,1]=4 680 B9R1.2 Cc1cc(cnc1)CCl AB55820 [0,2,0,0,0,0|2,0,0]=4 681 B9R1.2 Cc1cc(cnc1)CN AB23459 [0,2,0,0,0,0|2,0,0]=4 682 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,2,0,0,0,0|1,0,0]=3 683 B9R1.2 Cc1cc(cnc1)OC AB64998 [0,2,0,0,0,0|1,0,0]=3 684 B9R1.2 Cc1cc(ncn1)CO PB11190 [0,2,0,0,0,0|2,0,0]=4 685 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,2,0,0,0,0|2,0,0]=4 686 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,2,0,0,0,0|1,0,1]=4 687 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,2,0,0,0,0|2,0,0]=4 688 B9R1.2 Cc1cccc(n1)CN AB22796 [0,2,0,0,0,0|2,0,0]=4 689 B9R1.2 Cc1cccc(n1)NC AB60602 [0,2,0,0,0,0|2,0,0]=4 690 B9R1.2 Cc1ccnc(c1)C#C AB66576 [0,2,0,0,0,0|2,0,0]=4 691 B9R1.2 Cc1ccnc(c1)C#N AB03610 [0,2,0,0,0,0|2,0,0]=4 692 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,2,0,0,0,0|2,0,0]=4 693 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,2,0,0,0,0|2,0,0]=4 694 B9R1.2 Cc1ccnc(n1)CO PB24151 [0,2,0,0,0,0|2,0,0]=4 695 B9R1.2 c1c(cncc1Br)C#N PB14142 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.2 c1c(cncc1Br)C=O PB10234 [0,2,0,0,0,0|1,0,1]=4 697 B9R1.2 c1c(cncc1Br)CCl AB60029 [0,2,0,0,0,0|2,0,0]=4 698 B9R1.2 c1c(cncc1Br)CCl PB25120 [0,2,0,0,0,0|2,0,0]=4 699 B9R1.2 c1c(cncc1Br)CN PB23445 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.2 c1c(cncc1Br)CO PB29242 [0,2,0,0,0,0|1,0,0]=3 701 B9R1.2 c1c(cncc1Cl)C#N AB14095 [0,2,0,0,0,0|2,0,0]=4 702 B9R1.2 c1c(cncc1Cl)C=O PB29540 [0,2,0,0,0,0|1,0,1]=4 703 B9R1.2 c1c(cncc1Cl)CCl AB60038 [0,2,0,0,0,0|2,0,0]=4 704 B9R1.2 c1c(cncc1Cl)CCl PB33259 [0,2,0,0,0,0|2,0,0]=4 705 B9R1.2 c1c(cncc1Cl)CN AB63152 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.2 c1c(cncc1F)C#N AB49149 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.2 c1c(cncc1F)C=O PB12469 [0,2,0,0,0,0|1,0,1]=4 708 B9R1.2 c1c(cncc1F)CCl PB35002 [0,2,0,0,0,0|2,0,0]=4 709 B9R1.2 c1c(cncc1F)CN PB29533 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.2 c1c(cncc1F)CO PB12255 [0,2,0,0,0,0|1,0,0]=3 711 B9R1.2 c1c(cncc1I)C=O AB45533 [0,2,0,0,0,0|1,0,1]=4 712 B9R1.2 c1c(cncc1I)CCl AB45545 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.2 c1c(cncc1I)CO AB45541 [0,2,0,0,0,0|1,0,0]=3 714 B9R1.2 c1c(cncc1N)C#N AB31378 [0,2,0,0,0,0|2,0,0]=4 715 B9R1.2 c1c(cncc1N)C=O AB67741 [0,2,0,0,0,0|1,0,1]=4 716 B9R1.2 c1c(cncc1N)CN AB31384 [0,2,0,0,0,0|2,0,0]=4 717 B9R1.2 c1c(cncc1N)CO AB31625 [0,2,0,0,0,0|1,0,0]=3 718 B9R1.2 c1c(cncc1O)C#N MB09110 [0,2,0,0,0,0|1,0,0]=3 719 B9R1.2 c1c(cncc1O)C=O AB67779 [0,2,0,0,0,0|1,0,0]=3 720 B9R1.2 c1c(cncc1O)CN MB28837 [0,2,0,0,0,0|1,0,0]=3 721 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [0,2,0,0,0,0|2,0,0]=4 722 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [0,2,0,0,0,0|2,0,0]=4 723 B9R1.2 c1c(ncnc1Cl)CO PB11446 [0,2,0,0,0,0|2,0,0]=4 724 B9R1.2 c1c(ncnc1O)C=O AB58874 [0,2,0,0,0,0|2,0,0]=4 725 B9R1.2 c1c(ncnc1O)CCl AB59093 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.2 c1cc(c[n+](c1)[O-])CCl AB59951 [0,2,0,0,0,0|1,0,1]=4 727 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,2,0,0,0,0|1,0,0]=3 728 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [0,2,0,0,0,0|1,0,0]=3 729 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,2,0,0,0,0|0,0,0]=2 730 B9R1.2 c1cc(nc(c1)Br)C#N PB24633 [0,2,0,0,0,0|2,0,0]=4 731 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [0,2,0,0,0,0|1,0,1]=4 732 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,2,0,0,0,0|2,0,0]=4 733 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,2,0,0,0,0|2,0,0]=4 734 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,2,0,0,0,0|2,0,0]=4 735 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,2,0,0,0,0|1,0,0]=3 736 B9R1.2 c1cc(nc(c1)Br)NN AB51209 [0,2,0,0,0,0|2,0,0]=4 737 B9R1.2 c1cc(nc(c1)Cl)C#N AB05877 [0,2,0,0,0,0|2,0,0]=4 738 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [0,2,0,0,0,0|1,0,1]=4 739 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,2,0,0,0,0|2,0,0]=4 741 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,2,0,0,0,0|1,0,0]=3 742 B9R1.2 c1cc(nc(c1)F)C#N AB50189 [0,2,0,0,0,0|2,0,0]=4 743 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [0,2,0,0,0,0|1,0,1]=4 744 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,2,0,0,0,0|2,0,0]=4 746 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.2 c1cc(nc(c1)N)C#N AB62904 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,2,0,0,0,0|1,0,0]=3 749 B9R1.2 c1cc(nc(c1)O)C#N AB62925 [0,2,0,0,0,0|1,0,0]=3 750 B9R1.2 c1cnc(cc1Br)C#N PB29307 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.2 c1cnc(cc1Br)C=O PB10584 [0,2,0,0,0,0|1,0,1]=4 752 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,2,0,0,0,0|2,0,0]=4 753 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,2,0,0,0,0|1,0,0]=3 755 B9R1.2 c1cnc(cc1C#N)Br AB31306 [0,2,0,0,0,0|2,0,0]=4 756 B9R1.2 c1cnc(cc1C#N)Cl AB04394 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.2 c1cnc(cc1C#N)F AB49151 [0,2,0,0,0,0|2,0,0]=4 758 B9R1.2 c1cnc(cc1C#N)N PB17329 [0,2,0,0,0,0|2,0,0]=4 759 B9R1.2 c1cnc(cc1C#N)O PB20081 [0,2,0,0,0,0|1,0,0]=3 760 B9R1.2 c1cnc(cc1C=O)Br AB17326 [0,2,0,0,0,0|1,0,1]=4 761 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [0,2,0,0,0,0|1,0,1]=4 762 B9R1.2 c1cnc(cc1C=O)F AB24818 [0,2,0,0,0,0|1,0,1]=4 763 B9R1.2 c1cnc(cc1CCl)Br AB65254 [0,2,0,0,0,0|2,0,0]=4 764 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [0,2,0,0,0,0|2,0,0]=4 765 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [0,2,0,0,0,0|2,0,0]=4 766 B9R1.2 c1cnc(cc1CCl)F AB59901 [0,2,0,0,0,0|2,0,0]=4 767 B9R1.2 c1cnc(cc1CN)Br AB31307 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.2 c1cnc(cc1CN)Cl PB15828 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.2 c1cnc(cc1CN)F AB63132 [0,2,0,0,0,0|2,0,0]=4 770 B9R1.2 c1cnc(cc1CN)F AB63135 [0,2,0,0,0,0|2,0,0]=4 771 B9R1.2 c1cnc(cc1CN)N AB23468 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.2 c1cnc(cc1CO)Br AB17330 [0,2,0,0,0,0|1,0,0]=3 773 B9R1.2 c1cnc(cc1CO)Cl PB21002 [0,2,0,0,0,0|1,0,0]=3 774 B9R1.2 c1cnc(cc1CO)N PB33706 [0,2,0,0,0,0|1,0,0]=3 775 B9R1.2 c1cnc(cc1Cl)C#N PB32398 [0,2,0,0,0,0|2,0,0]=4 776 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [0,2,0,0,0,0|1,0,1]=4 777 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,2,0,0,0,0|2,0,0]=4 779 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,2,0,0,0,0|1,0,0]=3 781 B9R1.2 c1cnc(cc1F)C#N AB52749 [0,2,0,0,0,0|2,0,0]=4 782 B9R1.2 c1cnc(cc1F)C=O AB68024 [0,2,0,0,0,0|1,0,1]=4 783 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,2,0,0,0,0|2,0,0]=4 784 B9R1.2 c1cnc(cc1F)CN AB65162 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.2 c1cnc(cc1N)C#N PB10426 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.2 c1cnc(cc1N)C=O AB68102 [0,2,0,0,0,0|1,0,1]=4 787 B9R1.2 c1cnc(cc1O)C#N MB05241 [0,2,0,0,0,0|1,0,0]=3 788 B9R1.2 c1cnc(cc1O)C=O AB68125 [0,2,0,0,0,0|1,0,0]=3 789 B9R1.2 c1cnc(cc1O)CN MB14853 [0,2,0,0,0,0|1,0,0]=3 790 B9R1.2 c1cnc(nc1CN)O PB23029 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.2 c1cnc(nc1Cl)CO AB64233 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.2 c1cnc(nc1O)CCl AB59397 [0,2,0,0,0,0|2,0,0]=4 793 B9R1.2 c1cnc(nc1O)CN AB63186 [0,2,0,0,0,0|2,0,0]=4 794 B9R1.6 B(c1cccnc1)(O)O AB17635 [0,2,0,0,0,0|1,0,0]=3 795 B9R1.6 B(c1cccnc1)(O)O PB14187 [0,2,0,0,0,0|1,0,0]=3 796 B9R1.6 B(c1ccncc1)(O)O AB23111 [0,2,0,0,0,0|1,0,0]=3 797 B9R1.6 B(c1ccncc1)(O)O PB29133 [0,2,0,0,0,0|1,0,0]=3 798 B9R1.6 B(c1cnccn1)(O)O AB48451 [0,2,0,0,0,0|2,0,0]=4 799 B9R1.6 B(c1cncnc1)(O)O PB23323 [0,2,0,0,0,0|2,0,0]=4 800 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,2,0,0,0,0|2,0,0]=4 801 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,2,0,0,0,0|1,0,1]=4 802 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,2,0,0,0,0|1,0,1]=4 803 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,2,0,0,0,0|1,0,1]=4 804 B9R1.6 CC(C)c1ccccn1 PB21659 [0,2,0,0,0,0|2,0,0]=4 805 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,2,0,0,0,0|1,0,0]=3 806 B9R1.6 CC(c1ccccn1)N AB21604 [0,2,0,0,0,0|2,0,0]=4 807 B9R1.6 CC(c1cccnc1)N AB09764 [0,2,0,0,0,0|2,0,0]=4 808 B9R1.6 CC(c1ccncc1)N AB11609 [0,2,0,0,0,0|2,0,0]=4 809 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,2,0,0,0,0|2,0,0]=4 810 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,2,0,0,0,0|2,0,0]=4 811 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,2,0,0,0,0|2,0,0]=4 813 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,2,0,0,0,0|2,0,0]=4 814 B9R1.6 c1cc(cnc1)C(F)F AB64034 [0,2,0,0,0,0|2,0,0]=4 815 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,2,0,0,0,0|2,0,0]=4 816 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,2,0,0,0,0|1,0,0]=3 817 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,2,0,0,0,0|2,0,0]=4 818 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,2,0,0,0,0|1,1,0]=4 820 B9R1.6 c1ccnc(c1)C(F)F AB64042 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,2,0,0,0,0|2,0,0]=4 823 B9R1.6 c1cnccc1C(=N)N MB02852 [0,2,0,0,0,0|2,0,0]=4 824 B9R1.6 c1cnccc1C(=O)O AB00757 [0,2,0,0,0,0|1,0,0]=3 825 B9R1.6 c1cnccc1C(=S)N AB00764 [0,2,0,0,0,0|1,1,0]=4 826 B9R1.6 c1cncnc1C(=O)O PB29023 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.6 c1cnncc1C(=O)O PB17054 [0,2,0,0,0,0|2,0,0]=4 828 B9R1.8 C#CCc1ccccn1 AB73234 [0,2,0,0,0,0|2,0,0]=4 829 B9R1.8 C#CCc1cccnc1 AB61408 [0,2,0,0,0,0|2,0,0]=4 830 B9R1.8 CNCc1ccccn1 AB10674 [0,2,0,0,0,0|2,0,0]=4 831 B9R1.8 CNCc1cccnc1 AB01384 [0,2,0,0,0,0|2,0,0]=4 832 B9R1.8 CNCc1ccncc1 AB02721 [0,2,0,0,0,0|2,0,0]=4 833 B9R1.8 c1cc(cnc1)CCN AB04606 [0,2,0,0,0,0|2,0,0]=4 834 B9R1.8 c1cc(cnc1)CNN PB16271 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.8 c1cc(cnc1)N=C=O AB08187 [0,2,0,0,0,0|1,0,1]=4 836 B9R1.8 c1ccc(cc1)NC#N MB01061 [0,2,0,0,0,0|1,0,0]=3 837 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [0,2,0,0,0,0|1,0,0]=3 838 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [0,2,0,0,0,0|0,0,0]=2 839 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,2,0,0,0,0|2,0,0]=4 840 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,2,0,0,0,0|1,0,1]=4 841 B9R1.8 c1ccnc(c1)CCN AB00732 [0,2,0,0,0,0|2,0,0]=4 842 B9R1.8 c1ccnc(c1)CNN PB19014 [0,2,0,0,0,0|2,0,0]=4 843 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [0,2,0,0,0,0|2,0,0]=4 844 B9R1.8 c1cnccc1CCN AB01702 [0,2,0,0,0,0|2,0,0]=4 845 B9R1.8 c1cnccc1CNN PB10342 [0,2,0,0,0,0|2,0,0]=4 846 B9R1.8 c1cnccc1N=C=O AB44989 [0,2,0,0,0,0|1,0,1]=4 847 B9R1.15 C#Cc1ccccc1Br AB10375 [0,2,0,0,0,0|1,0,0]=3 848 B9R1.15 C#Cc1cccnc1Br AB69072 [0,2,0,0,0,0|2,0,0]=4 849 B9R1.15 C#Cc1cccnc1Cl AB69069 [0,2,0,0,0,0|2,0,0]=4 850 B9R1.15 C#Cc1cccnc1N AB66567 [0,2,0,0,0,0|2,0,0]=4 851 B9R1.15 C#Cc1cccnc1O AB69073 [0,2,0,0,0,0|1,0,0]=3 852 B9R1.15 C#Cc1ccncc1Cl AB69087 [0,2,0,0,0,0|2,0,0]=4 853 B9R1.15 C#Cc1ccncc1F AB69094 [0,2,0,0,0,0|2,0,0]=4 854 B9R1.15 C#Cc1ccncc1N AB69092 [0,2,0,0,0,0|2,0,0]=4 855 B9R1.15 C#Cc1cnccc1Br AB69055 [0,2,0,0,0,0|2,0,0]=4 856 B9R1.15 C#Cc1cnccc1Cl AB69058 [0,2,0,0,0,0|2,0,0]=4 857 B9R1.15 CCc1c(cccn1)Br AB68544 [0,2,0,0,0,0|2,0,0]=4 858 B9R1.15 CCc1c(cccn1)O MB01433 [0,2,0,0,0,0|1,0,0]=3 859 B9R1.15 CCc1ccncc1O MB12325 [0,2,0,0,0,0|1,0,0]=3 860 B9R1.15 CCc1cnccc1Br PB37149 [0,2,0,0,0,0|2,0,0]=4 861 B9R1.15 CCc1cnccc1O MB24095 [0,2,0,0,0,0|1,0,0]=3 862 B9R1.15 CNc1cccnc1Br AB39252 [0,2,0,0,0,0|2,0,0]=4 863 B9R1.15 CNc1ccncc1O MB27525 [0,2,0,0,0,0|1,0,0]=3 864 B9R1.15 CNc1cnccc1O MB29366 [0,2,0,0,0,0|1,0,0]=3 865 B9R1.15 COc1c(cccn1)Br PB20024 [0,2,0,0,0,0|1,0,0]=3 866 B9R1.15 COc1c(cccn1)Cl AB13603 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.15 COc1c(cccn1)F AB13397 [0,2,0,0,0,0|1,0,0]=3 868 B9R1.15 COc1c(cccn1)I AB13400 [0,2,0,0,0,0|1,0,0]=3 869 B9R1.15 COc1c(cccn1)N AB07386 [0,2,0,0,0,0|1,0,0]=3 870 B9R1.15 COc1c(cccn1)O AB06074 [0,2,0,0,0,0|1,0,0]=3 871 B9R1.15 COc1c(nccn1)Cl MB02506 [0,2,0,0,0,0|2,0,0]=4 872 B9R1.15 COc1c(nccn1)N AB22450 [0,2,0,0,0,0|2,0,0]=4 873 B9R1.15 COc1cccnc1Br PB29151 [0,2,0,0,0,0|1,0,0]=3 874 B9R1.15 COc1cccnc1Cl AB14749 [0,2,0,0,0,0|1,0,0]=3 875 B9R1.15 COc1cccnc1I AB05182 [0,2,0,0,0,0|1,0,0]=3 876 B9R1.15 COc1cccnc1N AB40614 [0,2,0,0,0,0|1,0,0]=3 877 B9R1.15 COc1cccnc1O AB43293 [0,2,0,0,0,0|1,0,0]=3 878 B9R1.15 COc1ccncc1Br AB22230 [0,2,0,0,0,0|1,0,0]=3 879 B9R1.15 COc1ccncc1Cl AB51203 [0,2,0,0,0,0|1,0,0]=3 880 B9R1.15 COc1ccncc1F AB66775 [0,2,0,0,0,0|1,0,0]=3 881 B9R1.15 COc1ccncc1I AB09106 [0,2,0,0,0,0|1,0,0]=3 882 B9R1.15 COc1ccncc1N AB40817 [0,2,0,0,0,0|1,0,0]=3 883 B9R1.15 COc1ccncc1O MB09117 [0,2,0,0,0,0|1,0,0]=3 884 B9R1.15 COc1cnccc1Br AB43705 [0,2,0,0,0,0|1,0,0]=3 885 B9R1.15 COc1cnccc1Br MB09674 [0,2,0,0,0,0|1,0,0]=3 886 B9R1.15 COc1cnccc1Cl AB66368 [0,2,0,0,0,0|1,0,0]=3 887 B9R1.15 COc1cnccc1F AB66590 [0,2,0,0,0,0|1,0,0]=3 888 B9R1.15 COc1cnccc1N AB55709 [0,2,0,0,0,0|1,0,0]=3 889 B9R1.15 COc1cnccc1O MB25455 [0,2,0,0,0,0|1,0,0]=3 890 B9R1.15 CSc1c(cccn1)O MB01598 [0,2,0,0,0,0|1,0,0]=3 891 B9R1.15 CSc1cccnc1Br MB13966 [0,2,0,0,0,0|1,1,0]=4 892 B9R1.15 CSc1ccncc1O MB25632 [0,2,0,0,0,0|1,0,0]=3 893 B9R1.15 CSc1cnccc1O MB31499 [0,2,0,0,0,0|1,0,0]=3 894 B9R1.15 Cc1c(cccn1)C#C AB66573 [0,2,0,0,0,0|2,0,0]=4 895 B9R1.15 Cc1c(cccn1)C#N PB23449 [0,2,0,0,0,0|2,0,0]=4 896 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,2,0,0,0,0|1,0,1]=4 897 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,2,0,0,0,0|2,0,0]=4 898 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,2,0,0,0,0|2,0,0]=4 899 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,2,0,0,0,0|2,0,0]=4 900 B9R1.15 Cc1c(cccn1)CN AB14093 [0,2,0,0,0,0|2,0,0]=4 901 B9R1.15 Cc1c(cccn1)CO AB01512 [0,2,0,0,0,0|1,0,0]=3 902 B9R1.15 Cc1c(cccn1)OC AB03569 [0,2,0,0,0,0|1,0,0]=3 903 B9R1.15 Cc1c(nccn1)CO PB22269 [0,2,0,0,0,0|2,0,0]=4 904 B9R1.15 Cc1cccnc1C=O PB14292 [0,2,0,0,0,0|1,0,1]=4 905 B9R1.15 Cc1cccnc1CCl PB32645 [0,2,0,0,0,0|2,0,0]=4 906 B9R1.15 Cc1cccnc1CN AB20671 [0,2,0,0,0,0|2,0,0]=4 907 B9R1.15 Cc1cccnc1CO AB12590 [0,2,0,0,0,0|1,0,0]=3 908 B9R1.15 Cc1cccnc1OC AB31414 [0,2,0,0,0,0|1,0,0]=3 909 B9R1.15 Cc1ccncc1C#C AB66569 [0,2,0,0,0,0|2,0,0]=4 910 B9R1.15 Cc1ccncc1C#N PB24636 [0,2,0,0,0,0|2,0,0]=4 911 B9R1.15 Cc1ccncc1C=O PB23498 [0,2,0,0,0,0|1,0,1]=4 912 B9R1.15 Cc1ccncc1CCl PB22427 [0,2,0,0,0,0|2,0,0]=4 913 B9R1.15 Cc1ccncc1CN PB14440 [0,2,0,0,0,0|2,0,0]=4 914 B9R1.15 Cc1ccncc1CO PB21746 [0,2,0,0,0,0|1,0,0]=3 915 B9R1.15 Cc1cnccc1C#C AB66570 [0,2,0,0,0,0|2,0,0]=4 916 B9R1.15 Cc1cnccc1C#N PB23623 [0,2,0,0,0,0|2,0,0]=4 917 B9R1.15 Cc1cnccc1C=O AB11481 [0,2,0,0,0,0|1,0,1]=4 918 B9R1.15 Cc1cnccc1CCl PB24122 [0,2,0,0,0,0|2,0,0]=4 919 B9R1.15 Cc1cnccc1CN AB17090 [0,2,0,0,0,0|2,0,0]=4 920 B9R1.15 Cc1cnccc1CO PB32359 [0,2,0,0,0,0|1,0,0]=3 921 B9R1.15 c1c(c(ncn1)O)C#N AB03209 [0,2,0,0,0,0|2,0,0]=4 922 B9R1.15 c1cc(c(nc1)Br)C#N AB05139 [0,2,0,0,0,0|2,0,0]=4 923 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [0,2,0,0,0,0|1,0,1]=4 924 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,2,0,0,0,0|2,0,0]=4 926 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,2,0,0,0,0|2,0,0]=4 927 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,2,0,0,0,0|1,0,0]=3 928 B9R1.15 c1cc(c(nc1)C#N)Br PB24769 [0,2,0,0,0,0|2,0,0]=4 929 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [0,2,0,0,0,0|2,0,0]=4 930 B9R1.15 c1cc(c(nc1)C#N)F PB17393 [0,2,0,0,0,0|2,0,0]=4 931 B9R1.15 c1cc(c(nc1)C#N)N PB18562 [0,2,0,0,0,0|2,0,0]=4 932 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [0,2,0,0,0,0|1,0,1]=4 933 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [0,2,0,0,0,0|1,0,1]=4 934 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [0,2,0,0,0,0|1,0,1]=4 935 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [0,2,0,0,0,0|1,0,0]=3 936 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,2,0,0,0,0|2,0,0]=4 937 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,2,0,0,0,0|2,0,0]=4 938 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,2,0,0,0,0|2,0,0]=4 939 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,2,0,0,0,0|2,0,0]=4 940 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,2,0,0,0,0|2,0,0]=4 941 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,2,0,0,0,0|2,0,0]=4 942 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,2,0,0,0,0|2,0,0]=4 943 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,2,0,0,0,0|2,0,0]=4 944 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,2,0,0,0,0|2,0,0]=4 945 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,2,0,0,0,0|2,0,0]=4 946 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,2,0,0,0,0|1,0,0]=3 947 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,2,0,0,0,0|1,0,0]=3 948 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,2,0,0,0,0|1,0,0]=3 949 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,2,0,0,0,0|1,0,0]=3 950 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,2,0,0,0,0|1,0,0]=3 951 B9R1.15 c1cc(c(nc1)Cl)C#N AB01170 [0,2,0,0,0,0|2,0,0]=4 952 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [0,2,0,0,0,0|1,0,1]=4 953 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,2,0,0,0,0|2,0,0]=4 954 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,2,0,0,0,0|1,0,0]=3 955 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [0,2,0,0,0,0|1,0,1]=4 956 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,2,0,0,0,0|2,0,0]=4 957 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,2,0,0,0,0|2,0,0]=4 958 B9R1.15 c1cc(c(nc1)N)C#N AB03606 [0,2,0,0,0,0|2,0,0]=4 959 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [0,2,0,0,0,0|1,0,1]=4 960 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,2,0,0,0,0|2,0,0]=4 961 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,2,0,0,0,0|1,0,0]=3 962 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [0,2,0,0,0,0|2,0,0]=4 963 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [0,2,0,0,0,0|1,0,0]=3 964 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [0,2,0,0,0,0|1,0,0]=3 965 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,2,0,0,0,0|1,0,0]=3 966 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [0,2,0,0,0,0|1,0,1]=4 967 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [0,2,0,0,0,0|0,0,1]=3 968 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,2,0,0,0,0|0,0,0]=2 969 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,2,0,0,0,0|0,0,0]=2 970 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [0,2,0,0,0,0|2,0,0]=4 971 B9R1.15 c1cncc(c1Br)C#N AB48189 [0,2,0,0,0,0|2,0,0]=4 972 B9R1.15 c1cncc(c1Br)C=O AB25683 [0,2,0,0,0,0|1,0,1]=4 973 B9R1.15 c1cncc(c1Br)C=O AB53933 [0,2,0,0,0,0|1,0,1]=4 974 B9R1.15 c1cncc(c1Br)CCl AB67965 [0,2,0,0,0,0|2,0,0]=4 975 B9R1.15 c1cncc(c1Br)CN AB67954 [0,2,0,0,0,0|2,0,0]=4 976 B9R1.15 c1cncc(c1C#N)Br AB05148 [0,2,0,0,0,0|2,0,0]=4 977 B9R1.15 c1cncc(c1C#N)Cl AB21895 [0,2,0,0,0,0|2,0,0]=4 978 B9R1.15 c1cncc(c1C#N)N AB16955 [0,2,0,0,0,0|2,0,0]=4 979 B9R1.15 c1cncc(c1C#N)O MB12322 [0,2,0,0,0,0|1,0,0]=3 980 B9R1.15 c1cncc(c1C=O)Br PB17335 [0,2,0,0,0,0|1,0,1]=4 981 B9R1.15 c1cncc(c1C=O)Cl AB23043 [0,2,0,0,0,0|1,0,1]=4 982 B9R1.15 c1cncc(c1C=O)F PB32422 [0,2,0,0,0,0|1,0,1]=4 983 B9R1.15 c1cncc(c1C=O)N PB20170 [0,2,0,0,0,0|1,0,1]=4 984 B9R1.15 c1cncc(c1C=O)O AB08714 [0,2,0,0,0,0|1,0,0]=3 985 B9R1.15 c1cncc(c1CCl)Br AB67648 [0,2,0,0,0,0|2,0,0]=4 986 B9R1.15 c1cncc(c1CCl)Cl AB67608 [0,2,0,0,0,0|2,0,0]=4 987 B9R1.15 c1cncc(c1CCl)F AB67665 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.15 c1cncc(c1CN)Br AB63141 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.15 c1cncc(c1CN)Cl AB63139 [0,2,0,0,0,0|2,0,0]=4 990 B9R1.15 c1cncc(c1CN)F AB63136 [0,2,0,0,0,0|2,0,0]=4 991 B9R1.15 c1cncc(c1CN)N AB49287 [0,2,0,0,0,0|2,0,0]=4 992 B9R1.15 c1cncc(c1CN)O MB09249 [0,2,0,0,0,0|1,0,0]=3 993 B9R1.15 c1cncc(c1CO)Br PB19192 [0,2,0,0,0,0|1,0,0]=3 994 B9R1.15 c1cncc(c1CO)F PB29849 [0,2,0,0,0,0|1,0,0]=3 995 B9R1.15 c1cncc(c1CO)N AB25787 [0,2,0,0,0,0|1,0,0]=3 996 B9R1.15 c1cncc(c1Cl)C#N AB43637 [0,2,0,0,0,0|2,0,0]=4 997 B9R1.15 c1cncc(c1Cl)C=O AB17590 [0,2,0,0,0,0|1,0,1]=4 998 B9R1.15 c1cncc(c1Cl)CCl AB60091 [0,2,0,0,0,0|2,0,0]=4 999 B9R1.15 c1cncc(c1Cl)CN AB49675 [0,2,0,0,0,0|2,0,0]=4 1000 B9R1.15 c1cncc(c1F)C#N AB17580 [0,2,0,0,0,0|2,0,0]=4 1001 B9R1.15 c1cncc(c1F)C=O AB32109 [0,2,0,0,0,0|1,0,1]=4 1002 B9R1.15 c1cncc(c1F)CCl AB68054 [0,2,0,0,0,0|2,0,0]=4 1003 B9R1.15 c1cncc(c1F)CN AB68023 [0,2,0,0,0,0|2,0,0]=4 1004 B9R1.15 c1cncc(c1N)C#N AB16952 [0,2,0,0,0,0|2,0,0]=4 1005 B9R1.15 c1cncc(c1N)C=O AB12471 [0,2,0,0,0,0|1,0,1]=4 1006 B9R1.15 c1cncc(c1N)C=O PB27639 [0,2,0,0,0,0|1,0,1]=4 1007 B9R1.15 c1cncc(c1N)CCl AB31893 [0,2,0,0,0,0|2,0,0]=4 1008 B9R1.15 c1cncc(c1N)CO PB14435 [0,2,0,0,0,0|1,0,0]=3 1009 B9R1.15 c1cncc(c1O)C#N MB01597 [0,2,0,0,0,0|1,0,0]=3 1010 B9R1.15 c1cncc(c1O)C=O AB59870 [0,2,0,0,0,0|1,0,0]=3 1011 B9R1.15 c1cncc(c1O)CN MB35531 [0,2,0,0,0,0|1,0,0]=3 1012 B9R1.69 C1C(=C(C=NC1=O)Cl)O AB45636 [0,2,0,0,0,0|1,0,1]=4 1013 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [0,2,0,0,0,0|2,0,0]=4 1014 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [0,2,0,0,0,0|2,0,0]=4 1016 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [0,2,0,0,0,0|2,0,0]=4 1017 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [0,2,0,0,0,0|2,0,0]=4 1018 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [0,2,0,0,0,0|2,0,0]=4 1019 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [0,2,0,0,0,0|2,0,0]=4 1020 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [0,2,0,0,0,0|2,0,0]=4 1021 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [0,2,0,0,0,0|2,0,0]=4 1022 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [0,2,0,0,0,0|1,0,0]=3 1023 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [0,2,0,0,0,0|1,0,0]=3 1024 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [0,2,0,0,0,0|2,0,0]=4 1025 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [0,2,0,0,0,0|2,0,0]=4 1026 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [0,2,0,0,0,0|2,0,0]=4 1027 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [0,2,0,0,0,0|2,0,0]=4 1028 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [0,2,0,0,0,0|2,0,0]=4 1029 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [0,2,0,0,0,0|2,0,0]=4 1030 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [0,2,0,0,0,0|2,0,0]=4 1031 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [0,2,0,0,0,0|2,0,0]=4 1032 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [0,2,0,0,0,0|2,0,0]=4 1033 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [0,2,0,0,0,0|2,0,0]=4 1034 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [0,2,0,0,0,0|2,0,0]=4 1035 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [0,2,0,0,0,0|1,0,0]=3 1036 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [0,2,0,0,0,0|1,0,0]=3 1037 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [0,2,0,0,0,0|1,0,0]=3 1038 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [0,2,0,0,0,0|1,0,0]=3 1039 B9R1.69 Cc1c(ncc(n1)Br)O AB85718 [0,2,0,0,0,0|2,0,0]=4 1040 B9R1.69 Cc1cc(c(cn1)Br)Cl PB25215 [0,2,0,0,0,0|2,0,0]=4 1041 B9R1.69 Cc1cc(c(cn1)Br)F AB74992 [0,2,0,0,0,0|2,0,0]=4 1042 B9R1.69 Cc1cc(c(cn1)Br)N PB10415 [0,2,0,0,0,0|2,0,0]=4 1043 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [0,2,0,0,0,0|2,0,0]=4 1044 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [0,2,0,0,0,0|2,0,0]=4 1045 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [0,2,0,0,0,0|1,0,0]=3 1046 B9R1.69 Cc1cc(c(cn1)Cl)Br AB71664 [0,2,0,0,0,0|2,0,0]=4 1047 B9R1.69 Cc1cc(c(cn1)Cl)I AB71748 [0,2,0,0,0,0|2,0,0]=4 1048 B9R1.69 Cc1cc(c(cn1)Cl)N AB40682 [0,2,0,0,0,0|2,0,0]=4 1049 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [0,2,0,0,0,0|1,0,0]=3 1050 B9R1.69 Cc1cc(c(cn1)F)Br AB74121 [0,2,0,0,0,0|2,0,0]=4 1051 B9R1.69 Cc1cc(c(cn1)F)N AB70850 [0,2,0,0,0,0|2,0,0]=4 1052 B9R1.69 Cc1cc(c(cn1)N)Br AB68541 [0,2,0,0,0,0|2,0,0]=4 1053 B9R1.69 Cc1cc(c(cn1)N)Cl AB64291 [0,2,0,0,0,0|2,0,0]=4 1054 B9R1.69 Cc1cc(c(cn1)N)F AB73537 [0,2,0,0,0,0|2,0,0]=4 1055 B9R1.69 Cc1cc(c(cn1)N)N AB51224 [0,2,0,0,0,0|2,0,0]=4 1056 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [0,2,0,0,0,0|1,0,0]=3 1057 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [0,2,0,0,0,0|1,0,0]=3 1058 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [0,2,0,0,0,0|2,0,0]=4 1059 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [0,2,0,0,0,0|2,0,0]=4 1060 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [0,2,0,0,0,0|2,0,0]=4 1061 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [0,2,0,0,0,0|2,0,0]=4 1062 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [0,2,0,0,0,0|2,0,0]=4 1063 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,2,0,0,0,0|1,0,0]=3 1064 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [0,2,0,0,0,0|2,0,0]=4 1065 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [0,2,0,0,0,0|2,0,0]=4 1066 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,2,0,0,0,0|1,0,0]=3 1067 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [0,2,0,0,0,0|2,0,0]=4 1068 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [0,2,0,0,0,0|2,0,0]=4 1069 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,2,0,0,0,0|1,0,0]=3 1070 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [0,2,0,0,0,0|2,0,0]=4 1071 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [0,2,0,0,0,0|2,0,0]=4 1072 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [0,2,0,0,0,0|2,0,0]=4 1073 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [0,2,0,0,0,0|2,0,0]=4 1074 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [0,2,0,0,0,0|2,0,0]=4 1075 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [0,2,0,0,0,0|1,0,0]=3 1076 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,2,0,0,0,0|1,0,0]=3 1077 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [0,2,0,0,0,0|1,0,0]=3 1078 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [0,2,0,0,0,0|1,0,0]=3 1079 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [0,2,0,0,0,0|1,0,0]=3 1080 B9R1.69 Cc1cc(cc[n+]1[O-])Br AB70404 [0,2,0,0,0,0|1,0,1]=4 1081 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,2,0,0,0,0|0,0,0]=2 1082 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [0,2,0,0,0,0|2,0,0]=4 1083 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [0,2,0,0,0,0|2,0,0]=4 1084 B9R1.69 Cc1cc(cnc1Br)F AB53312 [0,2,0,0,0,0|2,0,0]=4 1085 B9R1.69 Cc1cc(cnc1Br)N AB13464 [0,2,0,0,0,0|2,0,0]=4 1086 B9R1.69 Cc1cc(cnc1Br)O AB53545 [0,2,0,0,0,0|1,0,0]=3 1087 B9R1.69 Cc1cc(cnc1C)Br AB64498 [0,2,0,0,0,0|2,0,0]=4 1088 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [0,2,0,0,0,0|2,0,0]=4 1089 B9R1.69 Cc1cc(cnc1C)N AB42833 [0,2,0,0,0,0|2,0,0]=4 1090 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,2,0,0,0,0|1,0,0]=3 1091 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [0,2,0,0,0,0|2,0,0]=4 1092 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [0,2,0,0,0,0|2,0,0]=4 1093 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [0,2,0,0,0,0|2,0,0]=4 1094 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [0,2,0,0,0,0|2,0,0]=4 1095 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [0,2,0,0,0,0|1,0,0]=3 1096 B9R1.69 Cc1cc(cnc1F)Br AB13475 [0,2,0,0,0,0|2,0,0]=4 1097 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [0,2,0,0,0,0|2,0,0]=4 1098 B9R1.69 Cc1cc(cnc1F)N AB13474 [0,2,0,0,0,0|2,0,0]=4 1099 B9R1.69 Cc1cc(cnc1F)O AB53562 [0,2,0,0,0,0|1,0,0]=3 1100 B9R1.69 Cc1cc(cnc1I)Br AB42361 [0,2,0,0,0,0|2,0,0]=4 1101 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [0,2,0,0,0,0|2,0,0]=4 1102 B9R1.69 Cc1cc(cnc1N)Br AB02787 [0,2,0,0,0,0|2,0,0]=4 1103 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [0,2,0,0,0,0|2,0,0]=4 1104 B9R1.69 Cc1cc(cnc1N)F AB41238 [0,2,0,0,0,0|2,0,0]=4 1105 B9R1.69 Cc1cc(cnc1N)I AB10923 [0,2,0,0,0,0|2,0,0]=4 1106 B9R1.69 Cc1cc(cnc1O)Br AB15087 [0,2,0,0,0,0|1,0,0]=3 1107 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [0,2,0,0,0,0|1,0,0]=3 1108 B9R1.69 Cc1cc(cnc1O)F AB82901 [0,2,0,0,0,0|1,0,0]=3 1109 B9R1.69 Cc1cc(cnc1O)I CB10781 [0,2,0,0,0,0|1,0,0]=3 1110 B9R1.69 Cc1cc(cnc1O)N AB41215 [0,2,0,0,0,0|1,0,0]=3 1111 B9R1.69 Cc1cc(ncc1Br)Br AB05276 [0,2,0,0,0,0|2,0,0]=4 1112 B9R1.69 Cc1cc(ncc1Br)C AB53714 [0,2,0,0,0,0|2,0,0]=4 1113 B9R1.69 Cc1cc(ncc1Br)Cl AB15095 [0,2,0,0,0,0|2,0,0]=4 1114 B9R1.69 Cc1cc(ncc1Br)F AB53532 [0,2,0,0,0,0|2,0,0]=4 1115 B9R1.69 Cc1cc(ncc1Br)I AB52611 [0,2,0,0,0,0|2,0,0]=4 1116 B9R1.69 Cc1cc(ncc1Br)N AB15088 [0,2,0,0,0,0|2,0,0]=4 1117 B9R1.69 Cc1cc(ncc1Br)O AB15096 [0,2,0,0,0,0|1,0,0]=3 1118 B9R1.69 Cc1cc(ncc1C)Br AB64948 [0,2,0,0,0,0|2,0,0]=4 1119 B9R1.69 Cc1cc(ncc1C)N AB49139 [0,2,0,0,0,0|2,0,0]=4 1120 B9R1.69 Cc1cc(ncc1C)O AB71287 [0,2,0,0,0,0|1,0,0]=3 1121 B9R1.69 Cc1cc(ncc1Cl)Br AB64601 [0,2,0,0,0,0|2,0,0]=4 1122 B9R1.69 Cc1cc(ncc1Cl)Cl AB41172 [0,2,0,0,0,0|2,0,0]=4 1123 B9R1.69 Cc1cc(ncc1Cl)N AB24850 [0,2,0,0,0,0|2,0,0]=4 1124 B9R1.69 Cc1cc(ncc1Cl)O AB41155 [0,2,0,0,0,0|1,0,0]=3 1125 B9R1.69 Cc1cc(ncc1F)Br AB44912 [0,2,0,0,0,0|2,0,0]=4 1126 B9R1.69 Cc1cc(ncc1I)N AB25384 [0,2,0,0,0,0|2,0,0]=4 1127 B9R1.69 Cc1cc(ncc1N)Br PB25040 [0,2,0,0,0,0|2,0,0]=4 1128 B9R1.69 Cc1cc(ncc1N)C AB41994 [0,2,0,0,0,0|2,0,0]=4 1129 B9R1.69 Cc1cc(ncc1N)F AB53863 [0,2,0,0,0,0|2,0,0]=4 1130 B9R1.69 Cc1cc(ncc1O)C AB44457 [0,2,0,0,0,0|1,0,0]=3 1131 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [0,2,0,0,0,0|1,0,0]=3 1132 B9R1.69 Cc1cc(ncc1O)F AB71303 [0,2,0,0,0,0|1,0,0]=3 1133 B9R1.69 Cc1cc(nnc1O)O PB15638 [0,2,0,0,0,0|2,0,0]=4 1134 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [0,2,0,0,0,0|0,1,0]=3 1135 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [0,2,0,0,0,0|1,0,0]=3 1136 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [0,2,0,0,0,0|0,0,0]=2 1137 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [0,2,0,0,0,0|1,0,0]=3 1138 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [0,2,0,0,0,0|0,0,0]=2 1139 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [0,2,0,0,0,0|0,0,0]=2 1140 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [0,2,0,0,0,0|0,0,0]=2 1141 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,2,0,0,0,0|2,0,0]=4 1142 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,2,0,0,0,0|1,0,0]=3 1143 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,2,0,0,0,0|2,0,0]=4 1144 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,2,0,0,0,0|2,0,0]=4 1145 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,2,0,0,0,0|2,0,0]=4 1146 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,2,0,0,0,0|1,0,0]=3 1147 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,2,0,0,0,0|2,0,0]=4 1148 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,2,0,0,0,0|2,0,0]=4 1149 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,2,0,0,0,0|2,0,0]=4 1150 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,2,0,0,0,0|2,0,0]=4 1151 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,2,0,0,0,0|1,0,0]=3 1152 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,2,0,0,0,0|1,0,0]=3 1153 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,2,0,0,0,0|1,0,0]=3 1154 B9R1.69 Cc1ccc(cc1I)O MB07177 [0,2,0,0,0,0|0,0,0]=2 1155 B9R1.69 Cc1ccc(cc1O)Br MB05210 [0,2,0,0,0,0|0,0,0]=2 1156 B9R1.69 Cc1ccc(cc1O)I MB12091 [0,2,0,0,0,0|0,0,0]=2 1157 B9R1.69 Cc1ccc(nc1Br)Br AB16615 [0,2,0,0,0,0|2,0,0]=4 1158 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,2,0,0,0,0|2,0,0]=4 1159 B9R1.69 Cc1ccc(nc1Br)Cl AB62917 [0,2,0,0,0,0|2,0,0]=4 1160 B9R1.69 Cc1ccc(nc1Br)F AB71569 [0,2,0,0,0,0|2,0,0]=4 1161 B9R1.69 Cc1ccc(nc1C)Br AB64947 [0,2,0,0,0,0|2,0,0]=4 1162 B9R1.69 Cc1ccc(nc1C)N AB23050 [0,2,0,0,0,0|2,0,0]=4 1163 B9R1.69 Cc1ccc(nc1C)O AB54521 [0,2,0,0,0,0|1,0,0]=3 1164 B9R1.69 Cc1ccc(nc1Cl)Br AB74690 [0,2,0,0,0,0|2,0,0]=4 1165 B9R1.69 Cc1ccc(nc1Cl)N AB70428 [0,2,0,0,0,0|2,0,0]=4 1166 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [0,2,0,0,0,0|1,0,0]=3 1167 B9R1.69 Cc1ccc(nc1F)Br AB74556 [0,2,0,0,0,0|2,0,0]=4 1168 B9R1.69 Cc1ccc(nc1F)N AB83080 [0,2,0,0,0,0|2,0,0]=4 1169 B9R1.69 Cc1ccc(nc1F)O AB71306 [0,2,0,0,0,0|1,0,0]=3 1170 B9R1.69 Cc1ccc(nc1N)Br AB71668 [0,2,0,0,0,0|2,0,0]=4 1171 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,2,0,0,0,0|2,0,0]=4 1172 B9R1.69 Cc1ccc(nc1N)Cl AB73562 [0,2,0,0,0,0|2,0,0]=4 1173 B9R1.69 Cc1ccc(nc1N)F AB82883 [0,2,0,0,0,0|2,0,0]=4 1174 B9R1.69 Cc1ccc(nc1N)N AB43423 [0,2,0,0,0,0|2,0,0]=4 1175 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,2,0,0,0,0|1,0,0]=3 1176 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [0,2,0,0,0,0|1,0,0]=3 1177 B9R1.69 Cc1ccc(nc1O)F AB82880 [0,2,0,0,0,0|1,0,0]=3 1178 B9R1.69 Cc1cnc(cc1Br)Cl AB63102 [0,2,0,0,0,0|2,0,0]=4 1179 B9R1.69 Cc1cnc(cc1Br)F AB71091 [0,2,0,0,0,0|2,0,0]=4 1180 B9R1.69 Cc1cnc(cc1Cl)Br AB63106 [0,2,0,0,0,0|2,0,0]=4 1181 B9R1.69 Cc1cnc(cc1Cl)N AB63097 [0,2,0,0,0,0|2,0,0]=4 1182 B9R1.69 Cc1cnc(cc1Cl)O AB71200 [0,2,0,0,0,0|1,0,0]=3 1183 B9R1.69 Cc1cnc(cc1F)Br AB71082 [0,2,0,0,0,0|2,0,0]=4 1184 B9R1.69 Cc1cnc(cc1F)N AB70899 [0,2,0,0,0,0|2,0,0]=4 1185 B9R1.69 Cc1cnc(cc1F)O AB71320 [0,2,0,0,0,0|1,0,0]=3 1186 B9R1.69 Cc1cnc(cc1N)Br AB63107 [0,2,0,0,0,0|2,0,0]=4 1187 B9R1.69 Cc1cnc(cc1N)Cl AB65156 [0,2,0,0,0,0|2,0,0]=4 1188 B9R1.69 Cc1cnc(cc1N)F AB82864 [0,2,0,0,0,0|2,0,0]=4 1189 B9R1.69 Cc1cnc(cc1O)Cl AB71181 [0,2,0,0,0,0|1,0,0]=3 1190 B9R1.69 Cc1cnc(cc1O)F AB71302 [0,2,0,0,0,0|1,0,0]=3 1191 B9R1.69 Cc1cnc(nc1O)C AB21544 [0,2,0,0,0,0|2,0,0]=4 1192 B9R1.69 Cc1ncc(c(n1)O)F AB04979 [0,2,0,0,0,0|2,0,0]=4 1193 B9R1.69 Cn1cc(ccc1=O)Br PB32830 [0,2,0,0,0,0|1,0,1]=4 1194 B9R1.69 Cn1cc(ccc1=O)N PB19693 [0,2,0,0,0,0|1,0,1]=4 1195 B9R1.69 Cn1ccc(=O)c(c1)I MB19762 [0,2,0,0,0,0|1,0,1]=4 1196 B9R1.69 Cn1ccc(cc1=O)Br PB26645 [0,2,0,0,0,0|1,0,1]=4 1197 B9R1.69 Cn1ccc(cc1=O)Cl MB19760 [0,2,0,0,0,0|1,0,1]=4 1198 B9R1.69 Cn1ccc(cc1=O)I MB14735 [0,2,0,0,0,0|1,0,1]=4 1199 B9R1.69 Cn1ccc(cc1=O)N PB11442 [0,2,0,0,0,0|1,0,1]=4 1200 B9R1.69 c1c(c(cnc1Br)Br)O AB63125 [0,2,0,0,0,0|1,0,0]=3 1201 B9R1.69 c1c(c(cnc1Br)Cl)Cl AB63111 [0,2,0,0,0,0|2,0,0]=4 1202 B9R1.69 c1c(c(cnc1Br)Cl)F AB63114 [0,2,0,0,0,0|2,0,0]=4 1203 B9R1.69 c1c(c(cnc1Br)Cl)I AB70807 [0,2,0,0,0,0|2,0,0]=4 1204 B9R1.69 c1c(c(cnc1Br)Cl)N AB65425 [0,2,0,0,0,0|2,0,0]=4 1205 B9R1.69 c1c(c(cnc1Br)Cl)O AB69302 [0,2,0,0,0,0|1,0,0]=3 1206 B9R1.69 c1c(c(cnc1Br)F)Cl AB63112 [0,2,0,0,0,0|2,0,0]=4 1207 B9R1.69 c1c(c(cnc1Br)F)N AB05092 [0,2,0,0,0,0|2,0,0]=4 1208 B9R1.69 c1c(c(cnc1Br)F)O AB69315 [0,2,0,0,0,0|1,0,0]=3 1209 B9R1.69 c1c(c(cnc1Br)N)Cl AB75030 [0,2,0,0,0,0|2,0,0]=4 1210 B9R1.69 c1c(c(cnc1Br)N)N AB63109 [0,2,0,0,0,0|2,0,0]=4 1211 B9R1.69 c1c(c(cnc1Br)O)Cl AB74967 [0,2,0,0,0,0|1,0,0]=3 1212 B9R1.69 c1c(c(cnc1Cl)Br)Cl AB49334 [0,2,0,0,0,0|2,0,0]=4 1213 B9R1.69 c1c(c(cnc1Cl)Br)I AB55676 [0,2,0,0,0,0|2,0,0]=4 1214 B9R1.69 c1c(c(cnc1Cl)Br)N PB26428 [0,2,0,0,0,0|2,0,0]=4 1215 B9R1.69 c1c(c(cnc1Cl)Br)O AB69298 [0,2,0,0,0,0|1,0,0]=3 1216 B9R1.69 c1c(c(cnc1Cl)Cl)I AB66762 [0,2,0,0,0,0|2,0,0]=4 1217 B9R1.69 c1c(c(cnc1Cl)Cl)N AB62909 [0,2,0,0,0,0|2,0,0]=4 1218 B9R1.69 c1c(c(cnc1Cl)Cl)O AB10186 [0,2,0,0,0,0|1,0,0]=3 1219 B9R1.69 c1c(c(cnc1Cl)F)Br AB25947 [0,2,0,0,0,0|2,0,0]=4 1220 B9R1.69 c1c(c(cnc1Cl)F)I AB13669 [0,2,0,0,0,0|2,0,0]=4 1221 B9R1.69 c1c(c(cnc1Cl)F)N AB71414 [0,2,0,0,0,0|2,0,0]=4 1222 B9R1.69 c1c(c(cnc1Cl)F)O AB69309 [0,2,0,0,0,0|1,0,0]=3 1223 B9R1.69 c1c(c(cnc1Cl)I)N PB25202 [0,2,0,0,0,0|2,0,0]=4 1224 B9R1.69 c1c(c(cnc1Cl)N)Cl AB05110 [0,2,0,0,0,0|2,0,0]=4 1225 B9R1.69 c1c(c(cnc1Cl)N)N PB14373 [0,2,0,0,0,0|2,0,0]=4 1226 B9R1.69 c1c(c(cnc1Cl)N)O AB69320 [0,2,0,0,0,0|1,0,0]=3 1227 B9R1.69 c1c(c(cnc1Cl)O)Cl AB69698 [0,2,0,0,0,0|1,0,0]=3 1228 B9R1.69 c1c(c(cnc1Cl)O)N AB69322 [0,2,0,0,0,0|1,0,0]=3 1229 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [0,2,0,0,0,0|1,0,0]=3 1230 B9R1.69 c1c(c(cnc1F)Br)Cl AB66391 [0,2,0,0,0,0|2,0,0]=4 1231 B9R1.69 c1c(c(cnc1F)Br)N PB22736 [0,2,0,0,0,0|2,0,0]=4 1232 B9R1.69 c1c(c(cnc1F)Cl)I AB17633 [0,2,0,0,0,0|2,0,0]=4 1233 B9R1.69 c1c(c(cnc1F)N)Cl AB75066 [0,2,0,0,0,0|2,0,0]=4 1234 B9R1.69 c1c(c(cnc1F)N)N AB51225 [0,2,0,0,0,0|2,0,0]=4 1235 B9R1.69 c1c(c(cnc1F)O)Cl AB71151 [0,2,0,0,0,0|1,0,0]=3 1236 B9R1.69 c1c(c(cnc1I)Br)Cl AB73519 [0,2,0,0,0,0|2,0,0]=4 1237 B9R1.69 c1c(c(cnc1I)Br)F AB73522 [0,2,0,0,0,0|2,0,0]=4 1238 B9R1.69 c1c(c(cnc1I)Cl)Cl AB70215 [0,2,0,0,0,0|2,0,0]=4 1239 B9R1.69 c1c(c(cnc1N)Br)Cl PB17989 [0,2,0,0,0,0|2,0,0]=4 1240 B9R1.69 c1c(c(cnc1N)Cl)Br AB70622 [0,2,0,0,0,0|2,0,0]=4 1241 B9R1.69 c1c(c(cnc1N)Cl)Cl AB41930 [0,2,0,0,0,0|2,0,0]=4 1242 B9R1.69 c1c(c(cnc1N)Cl)F AB82981 [0,2,0,0,0,0|2,0,0]=4 1243 B9R1.69 c1c(c(cnc1N)Cl)I AB72299 [0,2,0,0,0,0|2,0,0]=4 1244 B9R1.69 c1c(c(cnc1N)Cl)N AB70629 [0,2,0,0,0,0|2,0,0]=4 1245 B9R1.69 c1c(c(cnc1N)Cl)O AB42978 [0,2,0,0,0,0|1,0,0]=3 1246 B9R1.69 c1c(c(cnc1N)F)Cl AB83155 [0,2,0,0,0,0|2,0,0]=4 1247 B9R1.69 c1c(c(cnc1N)N)Cl AB64825 [0,2,0,0,0,0|2,0,0]=4 1248 B9R1.69 c1c(c(cnc1N)N)N AB60253 [0,2,0,0,0,0|2,0,0]=4 1249 B9R1.69 c1c(c(cnc1N)O)Cl AB84009 [0,2,0,0,0,0|1,0,0]=3 1250 B9R1.69 c1c(c(cnc1O)Cl)F AB71160 [0,2,0,0,0,0|1,0,0]=3 1251 B9R1.69 c1c(c(cnc1O)Cl)N AB70866 [0,2,0,0,0,0|1,0,0]=3 1252 B9R1.69 c1c(c(cnc1O)F)Cl AB71159 [0,2,0,0,0,0|1,0,0]=3 1253 B9R1.69 c1c(c(cnc1O)N)Cl AB83889 [0,2,0,0,0,0|1,0,0]=3 1254 B9R1.69 c1c(c(cnc1O)O)Cl AB84006 [0,2,0,0,0,0|1,0,0]=3 1255 B9R1.69 c1c(cnc(c1Br)Cl)Cl AB25941 [0,2,0,0,0,0|2,0,0]=4 1256 B9R1.69 c1c(cnc(c1Br)Cl)F AB13638 [0,2,0,0,0,0|2,0,0]=4 1257 B9R1.69 c1c(cnc(c1Br)Cl)N CB10761 [0,2,0,0,0,0|2,0,0]=4 1258 B9R1.69 c1c(cnc(c1Br)Cl)O CB11311 [0,2,0,0,0,0|1,0,0]=3 1259 B9R1.69 c1c(cnc(c1Br)F)Cl AB20989 [0,2,0,0,0,0|2,0,0]=4 1260 B9R1.69 c1c(cnc(c1Br)I)Cl AB64692 [0,2,0,0,0,0|2,0,0]=4 1261 B9R1.69 c1c(cnc(c1Br)N)Br AB01699 [0,2,0,0,0,0|2,0,0]=4 1262 B9R1.69 c1c(cnc(c1Br)N)Cl AB07737 [0,2,0,0,0,0|2,0,0]=4 1263 B9R1.69 c1c(cnc(c1Br)N)I AB44276 [0,2,0,0,0,0|2,0,0]=4 1264 B9R1.69 c1c(cnc(c1Br)O)Br AB01360 [0,2,0,0,0,0|1,0,0]=3 1265 B9R1.69 c1c(cnc(c1Br)O)Cl AB09921 [0,2,0,0,0,0|1,0,0]=3 1266 B9R1.69 c1c(cnc(c1Cl)Br)Br PB18868 [0,2,0,0,0,0|2,0,0]=4 1267 B9R1.69 c1c(cnc(c1Cl)Br)Cl AB05062 [0,2,0,0,0,0|2,0,0]=4 1268 B9R1.69 c1c(cnc(c1Cl)Br)F AB66730 [0,2,0,0,0,0|2,0,0]=4 1269 B9R1.69 c1c(cnc(c1Cl)Cl)I PB23692 [0,2,0,0,0,0|2,0,0]=4 1270 B9R1.69 c1c(cnc(c1Cl)F)Br AB52757 [0,2,0,0,0,0|2,0,0]=4 1271 B9R1.69 c1c(cnc(c1Cl)F)N AB75047 [0,2,0,0,0,0|2,0,0]=4 1272 B9R1.69 c1c(cnc(c1Cl)F)O AB43291 [0,2,0,0,0,0|1,0,0]=3 1273 B9R1.69 c1c(cnc(c1Cl)N)Br AB63574 [0,2,0,0,0,0|2,0,0]=4 1274 B9R1.69 c1c(cnc(c1Cl)N)Cl AB00689 [0,2,0,0,0,0|2,0,0]=4 1275 B9R1.69 c1c(cnc(c1Cl)N)F AB50026 [0,2,0,0,0,0|2,0,0]=4 1276 B9R1.69 c1c(cnc(c1Cl)N)N AB70626 [0,2,0,0,0,0|2,0,0]=4 1277 B9R1.69 c1c(cnc(c1Cl)O)Br AB05076 [0,2,0,0,0,0|1,0,0]=3 1278 B9R1.69 c1c(cnc(c1Cl)O)Cl AB03534 [0,2,0,0,0,0|1,0,0]=3 1279 B9R1.69 c1c(cnc(c1Cl)O)F AB66743 [0,2,0,0,0,0|1,0,0]=3 1280 B9R1.69 c1c(cnc(c1Cl)O)N AB76242 [0,2,0,0,0,0|1,0,0]=3 1281 B9R1.69 c1c(cnc(c1Cl)O)O AB71133 [0,2,0,0,0,0|1,0,0]=3 1282 B9R1.69 c1c(cnc(c1F)Br)Cl AB62913 [0,2,0,0,0,0|2,0,0]=4 1283 B9R1.69 c1c(cnc(c1F)Cl)Br AB14161 [0,2,0,0,0,0|2,0,0]=4 1284 B9R1.69 c1c(cnc(c1F)Cl)N AB75042 [0,2,0,0,0,0|2,0,0]=4 1285 B9R1.69 c1c(cnc(c1F)Cl)O AB14157 [0,2,0,0,0,0|1,0,0]=3 1286 B9R1.69 c1c(cnc(c1F)I)Br AB73520 [0,2,0,0,0,0|2,0,0]=4 1287 B9R1.69 c1c(cnc(c1F)N)Cl AB53928 [0,2,0,0,0,0|2,0,0]=4 1288 B9R1.69 c1c(cnc(c1F)O)Br AB40961 [0,2,0,0,0,0|1,0,0]=3 1289 B9R1.69 c1c(cnc(c1F)O)Cl AB41032 [0,2,0,0,0,0|1,0,0]=3 1290 B9R1.69 c1c(cnc(c1I)Cl)Br AB48194 [0,2,0,0,0,0|2,0,0]=4 1291 B9R1.69 c1c(cnc(c1I)Cl)F AB13622 [0,2,0,0,0,0|2,0,0]=4 1292 B9R1.69 c1c(cnc(c1I)N)Br AB25852 [0,2,0,0,0,0|2,0,0]=4 1293 B9R1.69 c1c(cnc(c1I)N)Cl AB42079 [0,2,0,0,0,0|2,0,0]=4 1294 B9R1.69 c1c(cnc(c1I)N)F AB48199 [0,2,0,0,0,0|2,0,0]=4 1295 B9R1.69 c1c(cnc(c1I)O)Br AB48195 [0,2,0,0,0,0|1,0,0]=3 1296 B9R1.69 c1c(cnc(c1N)Br)Br PB32717 [0,2,0,0,0,0|2,0,0]=4 1297 B9R1.69 c1c(cnc(c1N)Br)F AB21745 [0,2,0,0,0,0|2,0,0]=4 1298 B9R1.69 c1c(cnc(c1N)Cl)Br PB21183 [0,2,0,0,0,0|2,0,0]=4 1299 B9R1.69 c1c(cnc(c1N)Cl)Cl AB04748 [0,2,0,0,0,0|2,0,0]=4 1300 B9R1.69 c1c(cnc(c1N)Cl)F AB44890 [0,2,0,0,0,0|2,0,0]=4 1301 B9R1.69 c1c(cnc(c1N)Cl)I AB17086 [0,2,0,0,0,0|2,0,0]=4 1302 B9R1.69 c1c(cnc(c1N)Cl)N AB51565 [0,2,0,0,0,0|2,0,0]=4 1303 B9R1.69 c1c(cnc(c1N)Cl)O AB70860 [0,2,0,0,0,0|1,0,0]=3 1304 B9R1.69 c1c(cnc(c1N)F)Cl AB25964 [0,2,0,0,0,0|2,0,0]=4 1305 B9R1.69 c1c(cnc(c1N)N)Br PB10156 [0,2,0,0,0,0|2,0,0]=4 1306 B9R1.69 c1c(cnc(c1N)N)Cl AB08400 [0,2,0,0,0,0|2,0,0]=4 1307 B9R1.69 c1c(cnc(c1N)N)I AB60257 [0,2,0,0,0,0|2,0,0]=4 1308 B9R1.69 c1c(cnc(c1N)O)Br AB16428 [0,2,0,0,0,0|1,0,0]=3 1309 B9R1.69 c1c(cnc(c1N)O)Cl AB40990 [0,2,0,0,0,0|1,0,0]=3 1310 B9R1.69 c1c(cnc(c1N)O)N AB64414 [0,2,0,0,0,0|1,0,0]=3 1311 B9R1.69 c1c(cnc(c1N)S)Br AB40982 [0,2,0,0,0,0|1,1,0]=4 1312 B9R1.69 c1c(cnc(c1N)S)Cl AB41057 [0,2,0,0,0,0|1,1,0]=4 1313 B9R1.69 c1c(cnc(c1O)Br)F MB09912 [0,2,0,0,0,0|1,0,0]=3 1314 B9R1.69 c1c(cnc(c1O)Cl)Br PB17565 [0,2,0,0,0,0|1,0,0]=3 1315 B9R1.69 c1c(cnc(c1O)Cl)Cl AB66760 [0,2,0,0,0,0|1,0,0]=3 1316 B9R1.69 c1c(cnc(c1O)Cl)F AB13634 [0,2,0,0,0,0|1,0,0]=3 1317 B9R1.69 c1c(cnc(c1O)Cl)N AB76704 [0,2,0,0,0,0|1,0,0]=3 1318 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [0,2,0,0,0,0|1,0,0]=3 1319 B9R1.69 c1cc([n+](cc1Br)[O-])Br AB23015 [0,2,0,0,0,0|1,0,1]=4 1320 B9R1.69 c1cc(c(cc1Br)Br)I AB51495 [0,2,0,0,0,0|1,0,0]=3 1321 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [0,2,0,0,0,0|0,0,0]=2 1322 B9R1.69 c1cc(c(cc1Br)I)N AB10839 [0,2,0,0,0,0|1,0,0]=3 1323 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [0,2,0,0,0,0|0,0,0]=2 1324 B9R1.69 c1cc(c(cc1Br)N)I AB51497 [0,2,0,0,0,0|1,0,0]=3 1325 B9R1.69 c1cc(c(cc1Br)N)N AB11949 [0,2,0,0,0,0|1,0,0]=3 1326 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [0,2,0,0,0,0|0,0,0]=2 1327 B9R1.69 c1cc(c(cc1Br)N)S AB54823 [0,2,0,0,0,0|0,1,0]=3 1328 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [0,2,0,0,0,0|0,0,0]=2 1329 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [0,2,0,0,0,0|0,0,0]=2 1330 B9R1.69 c1cc(c(cc1Br)S)N AB07437 [0,2,0,0,0,0|0,1,0]=3 1331 B9R1.69 c1cc(c(cc1Cl)I)N PB21792 [0,2,0,0,0,0|1,0,0]=3 1332 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [0,2,0,0,0,0|0,0,0]=2 1333 B9R1.69 c1cc(c(cc1Cl)N)I AB28269 [0,2,0,0,0,0|1,0,0]=3 1334 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [0,2,0,0,0,0|0,0,0]=2 1335 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [0,2,0,0,0,0|0,0,0]=2 1336 B9R1.69 c1cc(c(cc1Cl)S)N AB13353 [0,2,0,0,0,0|0,1,0]=3 1337 B9R1.69 c1cc(c(cc1F)F)I MB00398 [0,2,0,0,0,0|1,0,0]=3 1338 B9R1.69 c1cc(c(cc1F)I)N AB01932 [0,2,0,0,0,0|1,0,0]=3 1339 B9R1.69 c1cc(c(cc1F)I)O MB14767 [0,2,0,0,0,0|0,0,0]=2 1340 B9R1.69 c1cc(c(cc1F)N)N AB01910 [0,2,0,0,0,0|1,0,0]=3 1341 B9R1.69 c1cc(c(cc1F)N)S AB54821 [0,2,0,0,0,0|0,1,0]=3 1342 B9R1.69 c1cc(c(cc1F)O)I MB25431 [0,2,0,0,0,0|0,0,0]=2 1343 B9R1.69 c1cc(c(cc1F)S)N AB54817 [0,2,0,0,0,0|0,1,0]=3 1344 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [0,2,0,0,0,0|0,0,0]=2 1345 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [0,2,0,0,0,0|0,0,0]=2 1346 B9R1.69 c1cc(c(cc1I)F)O MB09308 [0,2,0,0,0,0|0,0,0]=2 1347 B9R1.69 c1cc(c(cc1I)I)O MB01999 [0,2,0,0,0,0|0,0,0]=2 1348 B9R1.69 c1cc(c(cc1I)N)Cl AB64100 [0,2,0,0,0,0|1,0,0]=3 1349 B9R1.69 c1cc(c(cc1I)N)O MB14432 [0,2,0,0,0,0|0,0,0]=2 1350 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [0,2,0,0,0,0|0,0,0]=2 1351 B9R1.69 c1cc(c(cc1I)O)F MB14983 [0,2,0,0,0,0|0,0,0]=2 1352 B9R1.69 c1cc(c(cc1I)O)I MB07529 [0,2,0,0,0,0|0,0,0]=2 1353 B9R1.69 c1cc(c(cc1I)O)N MB14436 [0,2,0,0,0,0|0,0,0]=2 1354 B9R1.69 c1cc(c(cc1N)Cl)I AB02146 [0,2,0,0,0,0|1,0,0]=3 1355 B9R1.69 c1cc(c(cc1N)F)Cl AB08243 [0,2,0,0,0,0|1,0,0]=3 1356 B9R1.69 c1cc(c(cc1N)F)I AB42340 [0,2,0,0,0,0|1,0,0]=3 1357 B9R1.69 c1cc(c(cc1N)F)N MB08293 [0,2,0,0,0,0|1,0,0]=3 1358 B9R1.69 c1cc(c(cc1N)I)Cl MB09944 [0,2,0,0,0,0|1,0,0]=3 1359 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [0,2,0,0,0,0|0,0,0]=2 1360 B9R1.69 c1cc(c(cc1N)O)F MB13362 [0,2,0,0,0,0|0,0,0]=2 1361 B9R1.69 c1cc(c(cc1N)O)I MB37209 [0,2,0,0,0,0|0,0,0]=2 1362 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [0,2,0,0,0,0|0,0,0]=2 1363 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [0,2,0,0,0,0|0,0,0]=2 1364 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [0,2,0,0,0,0|0,0,0]=2 1365 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [0,2,0,0,0,0|0,0,0]=2 1366 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [0,2,0,0,0,0|0,0,0]=2 1367 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [0,2,0,0,0,0|0,0,0]=2 1368 B9R1.69 c1cc(c(cc1O)F)I MB11930 [0,2,0,0,0,0|0,0,0]=2 1369 B9R1.69 c1cc(c(cc1O)F)N AB09438 [0,2,0,0,0,0|0,0,0]=2 1370 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [0,2,0,0,0,0|0,0,0]=2 1371 B9R1.69 c1cc(c(cc1O)I)F MB25606 [0,2,0,0,0,0|0,0,0]=2 1372 B9R1.69 c1cc(c(cc1O)I)I MB25449 [0,2,0,0,0,0|0,0,0]=2 1373 B9R1.69 c1cc(c(cc1O)I)N MB25412 [0,2,0,0,0,0|0,0,0]=2 1374 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [0,2,0,0,0,0|0,0,0]=2 1375 B9R1.69 c1cc(c(cc1O)N)I MB13452 [0,2,0,0,0,0|0,0,0]=2 1376 B9R1.69 c1cc(c(cc1O)N)N MB04238 [0,2,0,0,0,0|0,0,0]=2 1377 B9R1.69 c1cc(nc(c1Br)Cl)I AB73525 [0,2,0,0,0,0|2,0,0]=4 1378 B9R1.69 c1cc(nc(c1Br)F)I AB73526 [0,2,0,0,0,0|2,0,0]=4 1379 B9R1.69 c1cc(nc(c1Br)I)N CB11794 [0,2,0,0,0,0|2,0,0]=4 1380 B9R1.69 c1cc(nc(c1Br)N)Br AB13816 [0,2,0,0,0,0|2,0,0]=4 1381 B9R1.69 c1cc(nc(c1Br)N)Cl AB68223 [0,2,0,0,0,0|2,0,0]=4 1382 B9R1.69 c1cc(nc(c1Br)N)N PB14375 [0,2,0,0,0,0|2,0,0]=4 1383 B9R1.69 c1cc(nc(c1Cl)F)Br AB74962 [0,2,0,0,0,0|2,0,0]=4 1384 B9R1.69 c1cc(nc(c1Cl)F)N AB74549 [0,2,0,0,0,0|2,0,0]=4 1385 B9R1.69 c1cc(nc(c1Cl)F)O AB71143 [0,2,0,0,0,0|1,0,0]=3 1386 B9R1.69 c1cc(nc(c1Cl)N)Br AB68234 [0,2,0,0,0,0|2,0,0]=4 1387 B9R1.69 c1cc(nc(c1Cl)N)Cl AB06148 [0,2,0,0,0,0|2,0,0]=4 1388 B9R1.69 c1cc(nc(c1Cl)N)N AB03196 [0,2,0,0,0,0|2,0,0]=4 1389 B9R1.69 c1cc(nc(c1Cl)N)O AB83953 [0,2,0,0,0,0|1,0,0]=3 1390 B9R1.69 c1cc(nc(c1Cl)O)Br AB84077 [0,2,0,0,0,0|1,0,0]=3 1391 B9R1.69 c1cc(nc(c1Cl)O)Cl AB10185 [0,2,0,0,0,0|1,0,0]=3 1392 B9R1.69 c1cc(nc(c1Cl)O)N AB84080 [0,2,0,0,0,0|1,0,0]=3 1393 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [0,2,0,0,0,0|1,0,0]=3 1394 B9R1.69 c1cc(nc(c1F)Br)Cl AB74954 [0,2,0,0,0,0|2,0,0]=4 1395 B9R1.69 c1cc(nc(c1F)Cl)Br AB74951 [0,2,0,0,0,0|2,0,0]=4 1396 B9R1.69 c1cc(nc(c1F)Cl)N AB75035 [0,2,0,0,0,0|2,0,0]=4 1397 B9R1.69 c1cc(nc(c1F)Cl)O AB71136 [0,2,0,0,0,0|1,0,0]=3 1398 B9R1.69 c1cc(nc(c1F)N)Cl AB73059 [0,2,0,0,0,0|2,0,0]=4 1399 B9R1.69 c1cc(nc(c1F)O)Cl AB83102 [0,2,0,0,0,0|1,0,0]=3 1400 B9R1.69 c1cc(nc(c1N)Br)Br PB17118 [0,2,0,0,0,0|2,0,0]=4 1401 B9R1.69 c1cc(nc(c1N)Br)Cl PB34600 [0,2,0,0,0,0|2,0,0]=4 1402 B9R1.69 c1cc(nc(c1N)Cl)Br AB20901 [0,2,0,0,0,0|2,0,0]=4 1403 B9R1.69 c1cc(nc(c1N)Cl)Cl AB01354 [0,2,0,0,0,0|2,0,0]=4 1404 B9R1.69 c1cc(nc(c1N)Cl)N AB83963 [0,2,0,0,0,0|2,0,0]=4 1405 B9R1.69 c1cc(nc(c1N)Cl)O AB70861 [0,2,0,0,0,0|1,0,0]=3 1406 B9R1.69 c1cc(nc(c1N)N)Br AB60264 [0,2,0,0,0,0|2,0,0]=4 1407 B9R1.69 c1cc(nc(c1N)N)Cl PB14154 [0,2,0,0,0,0|2,0,0]=4 1408 B9R1.69 c1cc(nc(c1N)N)F AB66676 [0,2,0,0,0,0|2,0,0]=4 1409 B9R1.69 c1cc(nc(c1N)N)N AB03630 [0,2,0,0,0,0|2,0,0]=4 1410 B9R1.69 c1cc(nc(c1N)O)Br AB26870 [0,2,0,0,0,0|1,0,0]=3 1411 B9R1.69 c1cc(nc(c1O)Cl)Br AB64867 [0,2,0,0,0,0|1,0,0]=3 1412 B9R1.69 c1cc(nc(c1O)Cl)Cl AB62926 [0,2,0,0,0,0|1,0,0]=3 1413 B9R1.69 c1cc(nc(c1O)Cl)N AB84093 [0,2,0,0,0,0|1,0,0]=3 1414 B9R1.69 c1cc(nc(c1O)Cl)O AB71131 [0,2,0,0,0,0|1,0,0]=3 1415 B9R1.69 c1cc(nc(c1O)N)Br AB63559 [0,2,0,0,0,0|1,0,0]=3 1416 B9R1.69 c1cc(nc(c1O)N)Cl AB69334 [0,2,0,0,0,0|1,0,0]=3 1417 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [0,2,0,0,0,0|2,0,0]=4 1418 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [0,2,0,0,0,0|2,0,0]=4 1419 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [0,2,0,0,0,0|2,0,0]=4 1420 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [0,2,0,0,0,0|2,0,0]=4 1421 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [0,2,0,0,0,0|1,0,0]=3 1422 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [0,2,0,0,0,0|2,0,0]=4 1423 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [0,2,0,0,0,0|2,0,0]=4 1424 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [0,2,0,0,0,0|1,0,0]=3 1425 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [0,2,0,0,0,0|2,0,0]=4 1426 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [0,2,0,0,0,0|2,0,0]=4 1427 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [0,2,0,0,0,0|1,0,0]=3 1428 B9R1.3 Cc1c(c(ncn1)O)Br AB09553 [0,2,0,0,0,0|2,0,0]=4 1429 B9R1.3 Cc1c(c(ncn1)O)Cl AB05118 [0,2,0,0,0,0|2,0,0]=4 1430 B9R1.3 Cc1c(cccc1Br)O MB09253 [0,2,0,0,0,0|0,0,0]=2 1431 B9R1.3 Cc1c(cccc1I)O MB23347 [0,2,0,0,0,0|0,0,0]=2 1432 B9R1.3 Cc1c(ccnc1Br)Cl AB71053 [0,2,0,0,0,0|2,0,0]=4 1433 B9R1.3 Cc1c(ccnc1Br)F AB71081 [0,2,0,0,0,0|2,0,0]=4 1434 B9R1.3 Cc1c(ccnc1Cl)Br AB53555 [0,2,0,0,0,0|2,0,0]=4 1435 B9R1.3 Cc1c(ccnc1Cl)I AB13660 [0,2,0,0,0,0|2,0,0]=4 1436 B9R1.3 Cc1c(ccnc1Cl)N AB75729 [0,2,0,0,0,0|2,0,0]=4 1437 B9R1.3 Cc1c(ccnc1Cl)O AB71179 [0,2,0,0,0,0|1,0,0]=3 1438 B9R1.3 Cc1c(ccnc1F)Br AB53559 [0,2,0,0,0,0|2,0,0]=4 1439 B9R1.3 Cc1c(ccnc1F)N AB82851 [0,2,0,0,0,0|2,0,0]=4 1440 B9R1.3 Cc1c(ccnc1F)O AB71301 [0,2,0,0,0,0|1,0,0]=3 1441 B9R1.3 Cc1c(ccnc1N)Cl AB70874 [0,2,0,0,0,0|2,0,0]=4 1442 B9R1.3 Cc1c(ccnc1N)F AB70896 [0,2,0,0,0,0|2,0,0]=4 1443 B9R1.3 Cc1c(ccnc1O)Cl AB71198 [0,2,0,0,0,0|1,0,0]=3 1444 B9R1.3 Cc1c(ccnc1O)F AB71318 [0,2,0,0,0,0|1,0,0]=3 1445 B9R1.3 Cc1c(cncc1Br)Br AB03597 [0,2,0,0,0,0|2,0,0]=4 1446 B9R1.3 Cc1c(cncc1Br)Cl AB75733 [0,2,0,0,0,0|2,0,0]=4 1447 B9R1.3 Cc1c(cncc1Br)F AB74995 [0,2,0,0,0,0|2,0,0]=4 1448 B9R1.3 Cc1c(cncc1Br)N AB42002 [0,2,0,0,0,0|2,0,0]=4 1449 B9R1.3 Cc1c(cncc1Cl)N AB41999 [0,2,0,0,0,0|2,0,0]=4 1450 B9R1.3 Cc1c(cncc1Cl)O AB70586 [0,2,0,0,0,0|1,0,0]=3 1451 B9R1.3 Cc1c(nccc1Br)C AB74548 [0,2,0,0,0,0|2,0,0]=4 1452 B9R1.3 Cc1c(nccc1Cl)C AB72126 [0,2,0,0,0,0|2,0,0]=4 1453 B9R1.3 Cc1c(nccc1N)C AB01511 [0,2,0,0,0,0|2,0,0]=4 1454 B9R1.3 Cc1c(nccc1O)C AB75493 [0,2,0,0,0,0|1,0,0]=3 1455 B9R1.3 Cc1c(ncnc1O)C AB05196 [0,2,0,0,0,0|2,0,0]=4 1456 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,2,0,0,0,0|0,0,0]=2 1457 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,2,0,0,0,0|0,0,0]=2 1458 B9R1.3 Cc1cccc(c1F)N AB25121 [0,2,0,0,0,0|1,0,0]=3 1459 B9R1.3 Cc1cccc(c1I)O MB23494 [0,2,0,0,0,0|0,0,0]=2 1460 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,2,0,0,0,0|1,0,0]=3 1461 B9R1.3 Cc1cccc(c1N)F MB03934 [0,2,0,0,0,0|1,0,0]=3 1462 B9R1.3 Cc1cccc(c1O)F MB11516 [0,2,0,0,0,0|0,0,0]=2 1463 B9R1.3 Cc1cccc(c1O)I MB23471 [0,2,0,0,0,0|0,0,0]=2 1464 B9R1.3 Cc1cccc(c1O)N MB02950 [0,2,0,0,0,0|0,0,0]=2 1465 B9R1.3 Cc1ccnc(c1Br)C AB53712 [0,2,0,0,0,0|2,0,0]=4 1466 B9R1.3 Cc1ccnc(c1Br)Cl PB21837 [0,2,0,0,0,0|2,0,0]=4 1467 B9R1.3 Cc1ccnc(c1Br)F AB44900 [0,2,0,0,0,0|2,0,0]=4 1468 B9R1.3 Cc1ccnc(c1C)Br AB25365 [0,2,0,0,0,0|2,0,0]=4 1469 B9R1.3 Cc1ccnc(c1C)N AB11611 [0,2,0,0,0,0|2,0,0]=4 1470 B9R1.3 Cc1ccnc(c1C)O AB66577 [0,2,0,0,0,0|1,0,0]=3 1471 B9R1.3 Cc1ccnc(c1Cl)Br AB44895 [0,2,0,0,0,0|2,0,0]=4 1472 B9R1.3 Cc1ccnc(c1Cl)N AB53535 [0,2,0,0,0,0|2,0,0]=4 1473 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [0,2,0,0,0,0|1,0,0]=3 1474 B9R1.3 Cc1ccnc(c1N)Br AB17559 [0,2,0,0,0,0|2,0,0]=4 1475 B9R1.3 Cc1ccnc(c1N)C AB43810 [0,2,0,0,0,0|2,0,0]=4 1476 B9R1.3 Cc1ccnc(c1N)Cl PB21708 [0,2,0,0,0,0|2,0,0]=4 1477 B9R1.3 Cc1ccnc(c1N)F AB17625 [0,2,0,0,0,0|2,0,0]=4 1478 B9R1.3 Cc1ccnc(c1N)N PB32179 [0,2,0,0,0,0|2,0,0]=4 1479 B9R1.3 Cc1ccnc(c1O)C AB43831 [0,2,0,0,0,0|1,0,0]=3 1480 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [0,2,0,0,0,0|1,0,0]=3 1481 B9R1.3 Cc1ccnc(c1O)F AB71297 [0,2,0,0,0,0|1,0,0]=3 1482 B9R1.3 Cc1cncc(c1Br)C AB53717 [0,2,0,0,0,0|2,0,0]=4 1483 B9R1.3 Cc1cncc(c1Br)Cl AB74973 [0,2,0,0,0,0|2,0,0]=4 1484 B9R1.3 Cc1cncc(c1Br)F AB74996 [0,2,0,0,0,0|2,0,0]=4 1485 B9R1.3 Cc1cncc(c1C)Br AB64494 [0,2,0,0,0,0|2,0,0]=4 1486 B9R1.3 Cc1cncc(c1C)N AB76783 [0,2,0,0,0,0|2,0,0]=4 1487 B9R1.3 Cc1cncc(c1C)O AB65620 [0,2,0,0,0,0|1,0,0]=3 1488 B9R1.3 Cc1cncc(c1Cl)Br AB75732 [0,2,0,0,0,0|2,0,0]=4 1489 B9R1.3 Cc1cncc(c1Cl)C AB50483 [0,2,0,0,0,0|2,0,0]=4 1490 B9R1.3 Cc1cncc(c1Cl)N AB75728 [0,2,0,0,0,0|2,0,0]=4 1491 B9R1.3 Cc1cncc(c1Cl)O AB71654 [0,2,0,0,0,0|1,0,0]=3 1492 B9R1.3 Cc1cncc(c1F)Br AB74994 [0,2,0,0,0,0|2,0,0]=4 1493 B9R1.3 Cc1cncc(c1F)N AB66587 [0,2,0,0,0,0|2,0,0]=4 1494 B9R1.3 Cc1cncc(c1F)O AB82936 [0,2,0,0,0,0|1,0,0]=3 1495 B9R1.3 Cc1cncc(c1N)C AB14443 [0,2,0,0,0,0|2,0,0]=4 1496 B9R1.3 Cc1cncc(c1N)Cl AB44879 [0,2,0,0,0,0|2,0,0]=4 1497 B9R1.3 Cc1cncc(c1N)F AB75360 [0,2,0,0,0,0|2,0,0]=4 1498 B9R1.3 Cc1cncc(c1N)N AB60255 [0,2,0,0,0,0|2,0,0]=4 1499 B9R1.3 Cc1cncc(c1O)C AB82550 [0,2,0,0,0,0|1,0,0]=3 1500 B9R1.3 Cc1cncc(c1O)Cl AB75744 [0,2,0,0,0,0|1,0,0]=3 1501 B9R1.3 Cc1cncc(c1O)F AB25961 [0,2,0,0,0,0|1,0,0]=3 1502 B9R1.3 Cn1c(=O)cccc1Br MB01001 [0,2,0,0,0,0|1,0,1]=4 1503 B9R1.3 Cn1cccc(c1=O)Br PB32951 [0,2,0,0,0,0|1,0,1]=4 1504 B9R1.3 Cn1cccc(c1=O)N PB15071 [0,2,0,0,0,0|1,0,1]=4 1505 B9R1.3 c1c(c(c(cn1)Br)Cl)Br PB24627 [0,2,0,0,0,0|2,0,0]=4 1506 B9R1.3 c1c(c(c(cn1)Br)Cl)F AB74956 [0,2,0,0,0,0|2,0,0]=4 1507 B9R1.3 c1c(c(c(cn1)Br)Cl)N AB66381 [0,2,0,0,0,0|2,0,0]=4 1508 B9R1.3 c1c(c(c(cn1)Br)Cl)O AB74970 [0,2,0,0,0,0|1,0,0]=3 1509 B9R1.3 c1c(c(c(cn1)Br)F)Cl AB82965 [0,2,0,0,0,0|2,0,0]=4 1510 B9R1.3 c1c(c(c(cn1)Br)N)Cl AB56437 [0,2,0,0,0,0|2,0,0]=4 1511 B9R1.3 c1c(c(c(cn1)Br)O)Cl AB66732 [0,2,0,0,0,0|1,0,0]=3 1512 B9R1.3 c1c(c(c(cn1)Br)O)N AB48393 [0,2,0,0,0,0|1,0,0]=3 1513 B9R1.3 c1c(c(c(cn1)Cl)Br)Cl MB04163 [0,2,0,0,0,0|2,0,0]=4 1514 B9R1.3 c1c(c(c(cn1)Cl)Br)F AB70924 [0,2,0,0,0,0|2,0,0]=4 1515 B9R1.3 c1c(c(c(cn1)Cl)Cl)N AB55065 [0,2,0,0,0,0|2,0,0]=4 1516 B9R1.3 c1c(c(c(cn1)Cl)F)N AB75054 [0,2,0,0,0,0|2,0,0]=4 1517 B9R1.3 c1c(c(c(cn1)Cl)F)O AB82968 [0,2,0,0,0,0|1,0,0]=3 1518 B9R1.3 c1c(c(c(cn1)Cl)I)Cl CB10652 [0,2,0,0,0,0|2,0,0]=4 1519 B9R1.3 c1c(c(c(cn1)Cl)N)Cl AB03509 [0,2,0,0,0,0|2,0,0]=4 1520 B9R1.3 c1c(c(c(cn1)Cl)N)F AB70854 [0,2,0,0,0,0|2,0,0]=4 1521 B9R1.3 c1c(c(c(cn1)Cl)N)N AB50200 [0,2,0,0,0,0|2,0,0]=4 1522 B9R1.3 c1c(c(c(cn1)Cl)N)O AB83899 [0,2,0,0,0,0|1,0,0]=3 1523 B9R1.3 c1c(c(c(cn1)Cl)O)Cl AB02053 [0,2,0,0,0,0|1,0,0]=3 1524 B9R1.3 c1c(c(c(cn1)Cl)O)F AB66744 [0,2,0,0,0,0|1,0,0]=3 1525 B9R1.3 c1c(c(c(cn1)Cl)O)N AB84022 [0,2,0,0,0,0|1,0,0]=3 1526 B9R1.3 c1c(c(c(cn1)Cl)O)O AB84021 [0,2,0,0,0,0|1,0,0]=3 1527 B9R1.3 c1c(c(c(cn1)F)Cl)N AB83146 [0,2,0,0,0,0|2,0,0]=4 1528 B9R1.3 c1c(c(c(cn1)F)Cl)O AB83144 [0,2,0,0,0,0|1,0,0]=3 1529 B9R1.3 c1c(c(c(cn1)F)N)F AB10209 [0,2,0,0,0,0|2,0,0]=4 1530 B9R1.3 c1c(c(c(cn1)N)Cl)N AB71544 [0,2,0,0,0,0|2,0,0]=4 1531 B9R1.3 c1c(c(c(cn1)O)Cl)N AB83874 [0,2,0,0,0,0|1,0,0]=3 1532 B9R1.3 c1c(c(c(cn1)O)Cl)O AB83993 [0,2,0,0,0,0|1,0,0]=3 1533 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [0,2,0,0,0,0|0,0,0]=2 1534 B9R1.3 c1cc(c(c(c1)Br)Cl)Br CB11700 [0,2,0,0,0,0|1,0,0]=3 1535 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [0,2,0,0,0,0|0,0,0]=2 1536 B9R1.3 c1cc(c(c(c1)Br)O)Cl MB08152 [0,2,0,0,0,0|0,0,0]=2 1537 B9R1.3 c1cc(c(c(c1)Br)O)N AB44905 [0,2,0,0,0,0|0,0,0]=2 1538 B9R1.3 c1cc(c(c(c1)Cl)Br)N MB08909 [0,2,0,0,0,0|1,0,0]=3 1539 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [0,2,0,0,0,0|0,0,0]=2 1540 B9R1.3 c1cc(c(c(c1)Cl)I)N AB28280 [0,2,0,0,0,0|1,0,0]=3 1541 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [0,2,0,0,0,0|0,0,0]=2 1542 B9R1.3 c1cc(c(c(c1)Cl)N)N AB54530 [0,2,0,0,0,0|1,0,0]=3 1543 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [0,2,0,0,0,0|0,0,0]=2 1544 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [0,2,0,0,0,0|0,0,0]=2 1545 B9R1.3 c1cc(c(c(c1)F)Cl)N AB14054 [0,2,0,0,0,0|1,0,0]=3 1546 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [0,2,0,0,0,0|0,0,0]=2 1547 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [0,2,0,0,0,0|0,0,0]=2 1548 B9R1.3 c1cc(c(c(c1)F)N)N MB00506 [0,2,0,0,0,0|1,0,0]=3 1549 B9R1.3 c1cc(c(c(c1)F)O)N AB45742 [0,2,0,0,0,0|0,0,0]=2 1550 B9R1.3 c1cc(c(c(c1)I)Br)F MB07001 [0,2,0,0,0,0|1,0,0]=3 1551 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [0,2,0,0,0,0|0,0,0]=2 1552 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [0,2,0,0,0,0|0,0,0]=2 1553 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [0,2,0,0,0,0|0,0,0]=2 1554 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [0,2,0,0,0,0|0,0,0]=2 1555 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [0,2,0,0,0,0|0,0,0]=2 1556 B9R1.3 c1cc(c(c(c1)I)O)Br MB25662 [0,2,0,0,0,0|0,0,0]=2 1557 B9R1.3 c1cc(c(c(c1)I)O)Cl MB14795 [0,2,0,0,0,0|0,0,0]=2 1558 B9R1.3 c1cc(c(c(c1)I)O)F MB05032 [0,2,0,0,0,0|0,0,0]=2 1559 B9R1.3 c1cc(c(c(c1)I)O)I MB25505 [0,2,0,0,0,0|0,0,0]=2 1560 B9R1.3 c1cc(c(c(c1)I)O)N MB35855 [0,2,0,0,0,0|0,0,0]=2 1561 B9R1.3 c1cc(c(c(c1)N)O)N MB01221 [0,2,0,0,0,0|0,0,0]=2 1562 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [0,2,0,0,0,0|0,0,0]=2 1563 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [0,2,0,0,0,0|0,0,0]=2 1564 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [0,2,0,0,0,0|0,0,0]=2 1565 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [0,2,0,0,0,0|0,0,0]=2 1566 B9R1.3 c1cnc(c(c1Br)Cl)F AB62814 [0,2,0,0,0,0|2,0,0]=4 1567 B9R1.3 c1cnc(c(c1Br)Cl)N AB70625 [0,2,0,0,0,0|2,0,0]=4 1568 B9R1.3 c1cnc(c(c1Br)Cl)O AB70927 [0,2,0,0,0,0|1,0,0]=3 1569 B9R1.3 c1cnc(c(c1Br)F)Cl AB70923 [0,2,0,0,0,0|2,0,0]=4 1570 B9R1.3 c1cnc(c(c1Br)N)Cl AB76588 [0,2,0,0,0,0|2,0,0]=4 1571 B9R1.3 c1cnc(c(c1Br)N)N PB33239 [0,2,0,0,0,0|2,0,0]=4 1572 B9R1.3 c1cnc(c(c1Br)O)Cl AB70925 [0,2,0,0,0,0|1,0,0]=3 1573 B9R1.3 c1cnc(c(c1Cl)Br)F AB74960 [0,2,0,0,0,0|2,0,0]=4 1574 B9R1.3 c1cnc(c(c1Cl)Cl)N AB44396 [0,2,0,0,0,0|2,0,0]=4 1575 B9R1.3 c1cnc(c(c1Cl)Cl)O AB71282 [0,2,0,0,0,0|1,0,0]=3 1576 B9R1.3 c1cnc(c(c1Cl)F)Br AB74959 [0,2,0,0,0,0|2,0,0]=4 1577 B9R1.3 c1cnc(c(c1Cl)F)N AB83135 [0,2,0,0,0,0|2,0,0]=4 1578 B9R1.3 c1cnc(c(c1Cl)F)O AB71156 [0,2,0,0,0,0|1,0,0]=3 1579 B9R1.3 c1cnc(c(c1Cl)I)Cl CB11215 [0,2,0,0,0,0|2,0,0]=4 1580 B9R1.3 c1cnc(c(c1Cl)I)N PB16074 [0,2,0,0,0,0|2,0,0]=4 1581 B9R1.3 c1cnc(c(c1Cl)N)Br AB70423 [0,2,0,0,0,0|2,0,0]=4 1582 B9R1.3 c1cnc(c(c1Cl)N)Cl AB51385 [0,2,0,0,0,0|2,0,0]=4 1583 B9R1.3 c1cnc(c(c1Cl)N)F AB83198 [0,2,0,0,0,0|2,0,0]=4 1584 B9R1.3 c1cnc(c(c1Cl)N)N PB28504 [0,2,0,0,0,0|2,0,0]=4 1585 B9R1.3 c1cnc(c(c1Cl)N)O AB75026 [0,2,0,0,0,0|1,0,0]=3 1586 B9R1.3 c1cnc(c(c1Cl)O)Br AB74968 [0,2,0,0,0,0|1,0,0]=3 1587 B9R1.3 c1cnc(c(c1Cl)O)Cl AB70492 [0,2,0,0,0,0|1,0,0]=3 1588 B9R1.3 c1cnc(c(c1Cl)O)F AB71148 [0,2,0,0,0,0|1,0,0]=3 1589 B9R1.3 c1cnc(c(c1Cl)O)N AB53290 [0,2,0,0,0,0|1,0,0]=3 1590 B9R1.3 c1cnc(c(c1Cl)O)O AB83983 [0,2,0,0,0,0|1,0,0]=3 1591 B9R1.3 c1cnc(c(c1F)Cl)Br AB82998 [0,2,0,0,0,0|2,0,0]=4 1592 B9R1.3 c1cnc(c(c1F)Cl)N AB83000 [0,2,0,0,0,0|2,0,0]=4 1593 B9R1.3 c1cnc(c(c1F)Cl)O AB71146 [0,2,0,0,0,0|1,0,0]=3 1594 B9R1.3 c1cnc(c(c1I)O)I MB09113 [0,2,0,0,0,0|1,0,0]=3 1595 B9R1.3 c1cnc(c(c1N)Br)Cl PB34372 [0,2,0,0,0,0|2,0,0]=4 1596 B9R1.3 c1cnc(c(c1N)Cl)Br AB09546 [0,2,0,0,0,0|2,0,0]=4 1597 B9R1.3 c1cnc(c(c1N)Cl)Cl AB09580 [0,2,0,0,0,0|2,0,0]=4 1598 B9R1.3 c1cnc(c(c1N)Cl)F AB70632 [0,2,0,0,0,0|2,0,0]=4 1599 B9R1.3 c1cnc(c(c1N)Cl)N AB70628 [0,2,0,0,0,0|2,0,0]=4 1600 B9R1.3 c1cnc(c(c1N)Cl)O AB51578 [0,2,0,0,0,0|1,0,0]=3 1601 B9R1.3 c1cnc(c(c1N)F)Cl AB70858 [0,2,0,0,0,0|2,0,0]=4 1602 B9R1.3 c1cnc(c(c1N)N)Br PB11027 [0,2,0,0,0,0|2,0,0]=4 1603 B9R1.3 c1cnc(c(c1N)N)Cl PB12434 [0,2,0,0,0,0|2,0,0]=4 1604 B9R1.3 c1cnc(c(c1N)N)F AB70620 [0,2,0,0,0,0|2,0,0]=4 1605 B9R1.3 c1cnc(c(c1N)N)N AB52988 [0,2,0,0,0,0|2,0,0]=4 1606 B9R1.3 c1cnc(c(c1N)O)Cl AB70863 [0,2,0,0,0,0|1,0,0]=3 1607 B9R1.3 c1cnc(c(c1O)Cl)Br AB74964 [0,2,0,0,0,0|1,0,0]=3 1608 B9R1.3 c1cnc(c(c1O)Cl)Cl AB71281 [0,2,0,0,0,0|1,0,0]=3 1609 B9R1.3 c1cnc(c(c1O)Cl)F AB71141 [0,2,0,0,0,0|1,0,0]=3 1610 B9R1.3 c1cnc(c(c1O)Cl)N AB74554 [0,2,0,0,0,0|1,0,0]=3 1611 B9R1.3 c1cnc(c(c1O)Cl)O AB09579 [0,2,0,0,0,0|1,0,0]=3 1612 B9R1.3 c1cnc(c(c1O)F)Cl AB69317 [0,2,0,0,0,0|1,0,0]=3 1613 B9R1.3 c1cnc(c(c1O)N)Cl AB76250 [0,2,0,0,0,0|1,0,0]=3 1614 B9R1.3 c1cnc(c(c1O)O)Cl AB70497 [0,2,0,0,0,0|1,0,0]=3 1615 B9R1.3 c1nc(c(c(n1)Cl)Cl)O AB54896 [0,2,0,0,0,0|2,0,0]=4 1616 B9R1.3 c1nc(c(c(n1)O)F)O PB25105 [0,2,0,0,0,0|2,0,0]=4 1617 B9R1.3 c1nc(c(c(n1)O)I)N AB53178 [0,2,0,0,0,0|2,0,0]=4 1618 B9R1.3 c1nc(c(c(n1)O)N)N MB00183 [0,2,0,0,0,0|2,0,0]=4 1619 B9R1.34 Cc1cc([nH]c(=O)c1)O PB33379 [0,2,0,0,0,0|1,0,0]=3 1620 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [0,2,0,0,0,0|1,0,0]=3 1621 B9R1.34 Cc1cc(cc(c1)Br)F AB10112 [0,2,0,0,0,0|1,0,0]=3 1622 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [0,2,0,0,0,0|0,0,0]=2 1623 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [0,2,0,0,0,0|1,0,0]=3 1624 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [0,2,0,0,0,0|1,0,0]=3 1625 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [0,2,0,0,0,0|0,0,0]=2 1626 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [0,2,0,0,0,0|0,0,0]=2 1627 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [0,2,0,0,0,0|0,0,0]=2 1628 B9R1.34 Cc1cc(cc(n1)Br)Cl AB70506 [0,2,0,0,0,0|2,0,0]=4 1629 B9R1.34 Cc1cc(cc(n1)Br)F AB71085 [0,2,0,0,0,0|2,0,0]=4 1630 B9R1.34 Cc1cc(cc(n1)Br)N AB65433 [0,2,0,0,0,0|2,0,0]=4 1631 B9R1.34 Cc1cc(cc(n1)C)Br AB06743 [0,2,0,0,0,0|2,0,0]=4 1632 B9R1.34 Cc1cc(cc(n1)C)Cl AB09599 [0,2,0,0,0,0|2,0,0]=4 1633 B9R1.34 Cc1cc(cc(n1)C)N AB03678 [0,2,0,0,0,0|2,0,0]=4 1634 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [0,2,0,0,0,0|1,0,0]=3 1635 B9R1.34 Cc1cc(cc(n1)Cl)Cl AB46092 [0,2,0,0,0,0|2,0,0]=4 1636 B9R1.34 Cc1cc(cc(n1)Cl)N AB05304 [0,2,0,0,0,0|2,0,0]=4 1637 B9R1.34 Cc1cc(cc(n1)F)Br AB71093 [0,2,0,0,0,0|2,0,0]=4 1638 B9R1.34 Cc1cc(cc(n1)N)Cl AB07298 [0,2,0,0,0,0|2,0,0]=4 1639 B9R1.34 Cc1cc(cc(n1)N)F AB70902 [0,2,0,0,0,0|2,0,0]=4 1640 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [0,2,0,0,0,0|1,0,0]=3 1641 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [0,2,0,0,0,0|1,0,0]=3 1642 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [0,2,0,0,0,0|1,0,0]=3 1643 B9R1.34 Cc1cc(nc(c1)Br)C AB03103 [0,2,0,0,0,0|2,0,0]=4 1644 B9R1.34 Cc1cc(nc(c1)Br)Cl AB53549 [0,2,0,0,0,0|2,0,0]=4 1645 B9R1.34 Cc1cc(nc(c1)Br)F AB53551 [0,2,0,0,0,0|2,0,0]=4 1646 B9R1.34 Cc1cc(nc(c1)Cl)Cl PB31372 [0,2,0,0,0,0|2,0,0]=4 1647 B9R1.34 Cc1cc(nc(c1)Cl)N AB53542 [0,2,0,0,0,0|2,0,0]=4 1648 B9R1.34 Cc1cc(nc(c1)Cl)O AB71189 [0,2,0,0,0,0|1,0,0]=3 1649 B9R1.34 Cc1cc(nc(c1)F)N AB83076 [0,2,0,0,0,0|2,0,0]=4 1650 B9R1.34 Cc1cc(nc(c1)F)O AB71308 [0,2,0,0,0,0|1,0,0]=3 1651 B9R1.34 Cc1cc(nc(c1)N)C AB00706 [0,2,0,0,0,0|2,0,0]=4 1652 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [0,2,0,0,0,0|1,0,0]=3 1653 B9R1.34 Cc1cc(nc(n1)C)O AB00587 [0,2,0,0,0,0|2,0,0]=4 1654 B9R1.34 c1c(cc(cc1Br)I)Cl AB42475 [0,2,0,0,0,0|1,0,0]=3 1655 B9R1.34 c1c(cc(cc1Br)I)O MB11855 [0,2,0,0,0,0|0,0,0]=2 1656 B9R1.34 c1c(cc(cc1Cl)Br)N AB29734 [0,2,0,0,0,0|1,0,0]=3 1657 B9R1.34 c1c(cc(cc1Cl)Br)O AB42547 [0,2,0,0,0,0|0,0,0]=2 1658 B9R1.34 c1c(cc(cc1Cl)I)O MB11857 [0,2,0,0,0,0|0,0,0]=2 1659 B9R1.34 c1c(cc(cc1F)I)O MB26711 [0,2,0,0,0,0|0,0,0]=2 1660 B9R1.34 c1c(cc(cc1I)I)O MB11867 [0,2,0,0,0,0|0,0,0]=2 1661 B9R1.34 c1c(cc(cc1O)Br)N MB25497 [0,2,0,0,0,0|0,0,0]=2 1662 B9R1.34 c1c(cc(cc1O)F)N MB11825 [0,2,0,0,0,0|0,0,0]=2 1663 B9R1.34 c1c(cc(cc1O)I)N MB34300 [0,2,0,0,0,0|0,0,0]=2 1664 B9R1.34 c1c(cc(nc1Br)Br)Cl AB68802 [0,2,0,0,0,0|2,0,0]=4 1665 B9R1.34 c1c(cc(nc1Br)Br)N AB05102 [0,2,0,0,0,0|2,0,0]=4 1666 B9R1.34 c1c(cc(nc1Cl)Br)Cl AB62525 [0,2,0,0,0,0|2,0,0]=4 1667 B9R1.34 c1c(cc(nc1Cl)Br)F AB83211 [0,2,0,0,0,0|2,0,0]=4 1668 B9R1.34 c1c(cc(nc1Cl)Br)N AB68218 [0,2,0,0,0,0|2,0,0]=4 1669 B9R1.34 c1c(cc(nc1Cl)Cl)Br AB64829 [0,2,0,0,0,0|2,0,0]=4 1670 B9R1.34 c1c(cc(nc1Cl)Cl)Cl PB19901 [0,2,0,0,0,0|2,0,0]=4 1671 B9R1.34 c1c(cc(nc1Cl)Cl)F AB66757 [0,2,0,0,0,0|2,0,0]=4 1672 B9R1.34 c1c(cc(nc1Cl)Cl)I AB32018 [0,2,0,0,0,0|2,0,0]=4 1673 B9R1.34 c1c(cc(nc1Cl)Cl)N AB02218 [0,2,0,0,0,0|2,0,0]=4 1674 B9R1.34 c1c(cc(nc1F)Br)Cl AB83180 [0,2,0,0,0,0|2,0,0]=4 1675 B9R1.34 c1c(cc(nc1F)Cl)Cl AB72861 [0,2,0,0,0,0|2,0,0]=4 1676 B9R1.34 c1c(cc(nc1F)F)F PB32320 [0,2,0,0,0,0|2,0,0]=4 1677 B9R1.34 c1c(cc(nc1N)Cl)Cl AB17004 [0,2,0,0,0,0|2,0,0]=4 1678 B9R1.34 c1c(cc(nc1N)Cl)F AB83213 [0,2,0,0,0,0|2,0,0]=4 1679 B9R1.34 c1c(cc(nc1N)F)Cl AB83181 [0,2,0,0,0,0|2,0,0]=4 1680 B9R1.34 c1c(cc(nc1N)N)Br CB10800 [0,2,0,0,0,0|2,0,0]=4 1681 B9R1.34 c1c(cc(nc1O)Cl)Cl AB62522 [0,2,0,0,0,0|1,0,0]=3 1682 B9R1.34 c1c(cc(nc1O)Cl)F AB71139 [0,2,0,0,0,0|1,0,0]=3 1683 B9R1.34 c1c(cc(nc1O)F)Cl AB71154 [0,2,0,0,0,0|1,0,0]=3 1684 B9R1.34 c1c(nc(nc1Cl)Cl)O MB10267 [0,2,0,0,0,0|2,0,0]=4 1685 B9R1.34 c1c(nc(nc1Cl)O)Cl MB14179 [0,2,0,0,0,0|2,0,0]=4 1686 B5R1.1 c1cocn1 PB17048 [1,0,0,0,1,0|2,0,0]=4