0 B8R1.3 C1C=C(C=NC1=S)N AB31875 [0,0,0,0,0,0|2,1,1]=4 1 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.3 Cc1ccc(cn1)Br AB06624 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 Cc1ccc(cn1)Cl AB17956 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 Cc1ccc(cn1)F PB18589 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.3 Cc1ccc(cn1)N PB32227 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.3 Cc1ccc(cn1)O PB30543 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.3 Cc1ccc(nc1)Br PB17145 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.3 Cc1ccc(nc1)Cl AB07104 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.3 Cc1ccc(nc1)F AB01857 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.3 Cc1ccc(nc1)N AB17938 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.3 Cc1ccc(nc1)O AB13138 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.3 Cc1ccc(nn1)Br PB26503 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.3 Cc1ccc(nn1)Cl PB20885 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.3 Cc1ccc(nn1)I PB11607 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.3 Cc1ccc(nn1)N PB33947 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.3 Cc1cnc(cn1)Br PB27954 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.3 Cc1cnc(cn1)Cl AB02272 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.3 Cc1cnc(cn1)N PB32613 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.3 Cc1cnc(nc1)Cl PB25116 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.3 Cc1cnc(nc1)N AB06143 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.3 Cc1ncc(cn1)Br PB18804 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.3 Cc1ncc(cn1)Cl AB56396 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.3 Cc1ncc(cn1)N PB10666 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.3 Cc1ncc(cn1)O AB54467 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.3 c1c(cnc(n1)Br)F PB19026 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.3 c1c(cnc(n1)Br)N PB24997 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.3 c1c(cnc(n1)Br)O PB31459 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.3 c1c(cnc(n1)Cl)Br PB21707 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.3 c1c(cnc(n1)Cl)Cl PB33909 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.3 c1c(cnc(n1)Cl)F PB15753 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.3 c1c(cnc(n1)Cl)I AB23016 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.3 c1c(cnc(n1)Cl)N PB21893 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.3 c1c(cnc(n1)Cl)O PB12674 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.3 c1c(cnc(n1)F)Br AB42957 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.3 c1c(cnc(n1)I)Br PB12227 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.3 c1c(cnc(n1)N)Br PB10032 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.3 c1c(cnc(n1)N)Cl AB01163 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.3 c1c(cnc(n1)N)O PB32565 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.3 c1c(cnc(n1)O)Br AB05049 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.3 c1c(cnc(n1)O)Cl AB03656 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.3 c1c(ncc(n1)Br)Br PB17488 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.3 c1c(ncc(n1)Br)Cl PB26374 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.3 c1c(ncc(n1)Br)F MB14114 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.3 c1c(ncc(n1)Br)N PB26019 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.3 c1c(ncc(n1)Br)O PB26179 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.3 c1c(ncc(n1)Cl)Cl PB21866 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.3 c1c(ncc(n1)Cl)F AB50800 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.3 c1c(ncc(n1)Cl)N PB14352 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.3 c1c(ncc(n1)F)F AB85705 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.3 c1c(ncc(n1)I)Br PB27853 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.3 c1c(ncc(n1)I)Cl AB54777 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.3 c1c(ncc(n1)N)N AB53076 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.3 c1c(ncc(n1)O)O AB44015 [0,0,0,0,0,0|2,0,0]=2 55 B8R1.3 c1c[n+](ccc1F)[O-] PB19565 [0,0,0,0,0,0|2,0,1]=3 56 B8R1.3 c1cc(ncc1Br)Br AB00634 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.3 c1cc(ncc1Br)Cl AB08767 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.3 c1cc(ncc1Br)F PB30707 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.3 c1cc(ncc1Br)N PB30536 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.3 c1cc(ncc1Br)O AB05097 [0,0,0,0,0,0|2,0,0]=2 61 B8R1.3 c1cc(ncc1Br)S AB51097 [0,0,0,0,0,0|2,1,0]=3 62 B8R1.3 c1cc(ncc1Cl)Br AB05069 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [0,0,0,0,0,0|3,0,0]=3 64 B8R1.3 c1cc(ncc1Cl)F AB17577 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.3 c1cc(ncc1Cl)I AB32114 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.3 c1cc(ncc1Cl)N AB00712 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.3 c1cc(ncc1F)Br PB17160 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.3 c1cc(ncc1F)I AB42989 [0,0,0,0,0,0|3,0,0]=3 69 B8R1.3 c1cc(ncc1F)N AB10107 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.3 c1cc(ncc1I)Br PB14333 [0,0,0,0,0,0|3,0,0]=3 71 B8R1.3 c1cc(ncc1I)Cl AB10394 [0,0,0,0,0,0|3,0,0]=3 72 B8R1.3 c1cc(ncc1I)N PB25985 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.3 c1cc(ncc1I)O AB05112 [0,0,0,0,0,0|2,0,0]=2 74 B8R1.3 c1cc(ncc1N)Br PB17224 [0,0,0,0,0,0|3,0,0]=3 75 B8R1.3 c1cc(ncc1N)Cl AB00661 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.3 c1cc(ncc1N)F PB33962 [0,0,0,0,0,0|3,0,0]=3 77 B8R1.3 c1cc(ncc1N)O AB15078 [0,0,0,0,0,0|2,0,0]=2 78 B8R1.3 c1cc(ncc1O)Br PB15771 [0,0,0,0,0,0|2,0,0]=2 79 B8R1.3 c1cc(ncc1O)Cl PB32188 [0,0,0,0,0,0|2,0,0]=2 80 B8R1.3 c1cc(ncc1O)F AB08123 [0,0,0,0,0,0|2,0,0]=2 81 B8R1.3 c1cc(ncc1O)I AB50021 [0,0,0,0,0,0|2,0,0]=2 82 B8R1.3 c1cc(ncc1O)N AB15563 [0,0,0,0,0,0|2,0,0]=2 83 B8R1.3 c1cc(nnc1Br)Br PB10150 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.3 c1cc(nnc1Cl)I PB14577 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.3 c1cc(nnc1N)Br PB12750 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.3 c1cc(nnc1N)Cl PB30569 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.3 c1cc(nnc1N)I PB29756 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.3 c1cc(nnc1O)Cl PB29050 [0,0,0,0,0,0|3,0,0]=3 89 B7R1.3 Cc1cccnn1 PB33649 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.3 Cc1ccncn1 PB17038 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.3 Cc1ccnnc1 PB24546 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.3 c1c(cncn1)Br PB28945 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.3 c1c(cncn1)Cl AB16528 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.3 c1c(cncn1)N PB12745 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.3 c1c(cncn1)O PB27730 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.3 c1cc(cnc1)Br AB00739 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.3 c1cc(cnc1)I AB01382 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.3 c1cc(cnc1)[O-] MB00567 [1,0,0,0,0,0|1,0,1]=3 99 B7R1.3 c1cc(nnc1)Br MB08580 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.3 c1cc(nnc1)Cl AB30021 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.3 c1cc(nnc1)Cl PB34726 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.3 c1cc(nnc1)N PB17217 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.3 c1cc(nnc1)O PB32258 [1,0,0,0,0,0|2,0,0]=3 104 B7R1.3 c1ccnc(c1)Br AB00627 [1,0,0,0,0,0|2,0,0]=3 105 B7R1.3 c1cnc(cn1)Br MB06072 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.3 c1cnc(cn1)I AB08841 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.3 c1cnc(cn1)N PB30528 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.3 c1cnc(cn1)O AB05056 [1,0,0,0,0,0|2,0,0]=3 109 B7R1.3 c1cnc(nc1)Cl AB00572 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.3 c1cnc(nc1)N MB00175 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.3 c1cnccc1Br AB05093 [1,0,0,0,0,0|2,0,0]=3 112 B7R1.3 c1cnccc1I AB10861 [1,0,0,0,0,0|2,0,0]=3 113 B7R1.3 c1cnccc1O PB17041 [1,0,0,0,0,0|1,0,0]=2 114 B7R1.3 c1cncnc1Br PB10690 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.3 c1cncnc1Cl AB43600 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.3 c1cncnc1Cl PB13479 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.3 c1cncnc1N PB11581 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.3 c1cncnc1O PB32093 [1,0,0,0,0,0|2,0,0]=3 119 B7R1.3 c1cnncc1Br AB48350 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.3 c1cnncc1Cl AB50535 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.3 c1cnncc1I AB70137 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.3 c1cnncc1N PB29051 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.3 c1cnncc1N PB39062 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.1 C#Cc1ccc(cn1)Br AB13647 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.1 C#Cc1ccc(cn1)Cl AB68972 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.1 C#Cc1ccc(nc1)Br AB68991 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.1 C#Cc1ccc(nc1)Cl AB61374 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.1 C#Cc1ccc(nc1)F AB66584 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.1 C#Cc1ccc(nc1)N AB66565 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.1 C#Cc1ccc(nc1)O AB69001 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.1 CCc1ccc(cn1)N AB63590 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.1 CCc1ccc(cn1)O MB03842 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.1 CNc1ccc(cn1)Br AB44353 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.1 CNc1ccc(cn1)Cl AB07756 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.1 CNc1ccc(cn1)O AB69733 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.1 CNc1ccc(nc1)Br MB01005 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.1 CNc1ccc(nc1)Cl AB60605 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [0,1,0,0,0,0|1,0,1]=3 142 B9R1.1 COc1ccc(cn1)Br AB08771 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.1 COc1ccc(cn1)Cl AB23682 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.1 COc1ccc(cn1)F AB13611 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.1 COc1ccc(cn1)N PB27370 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.1 COc1ccc(cn1)O CB10969 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.1 COc1ccc(nc1)Br PB22062 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.1 COc1ccc(nc1)Cl AB25956 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.1 COc1ccc(nc1)F AB66773 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.1 COc1ccc(nc1)I AB11726 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.1 COc1ccc(nc1)N PB14487 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.1 COc1ccc(nn1)Cl PB28962 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.1 COc1ccc(nn1)I AB59856 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.1 COc1ccc(nn1)N PB23243 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.1 COc1cnc(cn1)Br PB10528 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.1 COc1cnc(cn1)Cl PB22219 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.1 COc1cnc(cn1)I AB75719 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.1 COc1cnc(cn1)N PB26534 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.1 COc1cnc(nc1)Br PB21090 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.1 COc1cnc(nc1)Cl PB32662 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.1 COc1cnc(nc1)N PB30618 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.1 COc1ncc(cn1)Br AB21286 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.1 COc1ncc(cn1)Cl AB42003 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.1 COc1ncc(cn1)N AB43671 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.1 COc1ncc(cn1)O AB58606 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.1 CSc1ccc(cn1)Br AB14151 [0,1,0,0,0,0|2,1,0]=4 167 B9R1.1 CSc1ccc(cn1)O MB25590 [0,1,0,0,0,0|1,1,0]=3 168 B9R1.1 CSc1ccc(nc1)Br MB03440 [0,1,0,0,0,0|2,1,0]=4 169 B9R1.1 CSc1ncc(cn1)O AB04983 [0,1,0,0,0,0|2,1,0]=4 170 B9R1.1 Cc1ccc(cn1)C#N PB30561 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.1 Cc1ccc(cn1)C=C PB17233 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.1 Cc1ccc(cn1)CCl AB59938 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.1 Cc1ccc(cn1)CN PB20145 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.1 Cc1ccc(cn1)NN PB15841 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.1 Cc1ccc(cn1)OC AB52739 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.1 Cc1ccc(nn1)CO AB44109 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.1 Cc1ccc(nn1)OC AB51434 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.1 Cc1cnc(nc1)CO PB23808 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.1 Cc1ncc(cn1)CO PB17615 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [0,1,0,0,0,0|2,0,1]=4 186 B9R1.1 c1c(cnc(n1)CO)Br PB16639 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.1 c1c(cnc(n1)CO)Cl PB28152 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.1 c1c(cnc(n1)CO)F PB28593 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.1 c1c(cnc(n1)Cl)CO PB18163 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.1 c1c(cnc(n1)N)CO PB23785 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [0,1,0,0,0,0|2,0,1]=4 192 B9R1.1 c1c(cnc(n1)O)CN AB58547 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.1 c1c(cnc(n1)O)CO AB63514 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.1 c1c[n+](ccc1ON)[O-] AB31589 [0,1,0,0,0,0|1,0,1]=3 197 B9R1.1 c1cc(ccc1CBr)Br AB00113 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.1 c1cc(ccc1CI)O MB06957 [0,1,0,0,0,0|1,0,0]=2 200 B9R1.1 c1cc(ccc1CN)O AB11678 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.1 c1cc(ncc1Br)C#N PB21694 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.1 c1cc(ncc1Br)C=O PB30785 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.1 c1cc(ncc1C#N)Br AB05142 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.1 c1cc(ncc1C#N)Cl AB03166 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.1 c1cc(ncc1C#N)F PB16124 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.1 c1cc(ncc1C#N)O PB17354 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.1 c1cc(ncc1C=O)Br PB27654 [0,1,0,0,0,0|2,0,1]=4 212 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [0,1,0,0,0,0|2,0,1]=4 213 B9R1.1 c1cc(ncc1C=O)F PB23560 [0,1,0,0,0,0|2,0,1]=4 214 B9R1.1 c1cc(ncc1C=O)N PB19003 [0,1,0,0,0,0|2,0,1]=4 215 B9R1.1 c1cc(ncc1CBr)F PB28287 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.1 c1cc(ncc1CCl)Br AB59933 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.1 c1cc(ncc1CCl)F PB13291 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.1 c1cc(ncc1CCl)N AB59930 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.1 c1cc(ncc1CN)Br AB27793 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.1 c1cc(ncc1CN)Cl PB17175 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.1 c1cc(ncc1CN)F PB19133 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.1 c1cc(ncc1CO)Br PB14409 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.1 c1cc(ncc1CO)Cl PB17199 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.1 c1cc(ncc1CO)F PB14327 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.1 c1cc(ncc1CO)N PB26211 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [0,1,0,0,0,0|2,0,1]=4 229 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.1 c1cc(ncc1F)C#N AB48767 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.1 c1cc(ncc1F)C=O AB42648 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.1 c1cc(ncc1F)CN AB60189 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.1 c1cc(ncc1F)CO PB22210 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.1 c1cc(ncc1I)C#N MB08761 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.1 c1cc(ncc1N)C#N PB14307 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.1 c1cc(ncc1N)C=O AB67740 [0,1,0,0,0,0|2,0,1]=4 240 B9R1.1 c1cc(ncc1N)CN AB23447 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.1 c1cc(ncc1N)CO AB31872 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.1 c1cc(ncc1O)C#N PB12442 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.1 c1cc(ncc1O)C=O AB59867 [0,1,0,0,0,0|1,0,1]=3 244 B9R1.1 c1cc(ncc1O)CN MB14856 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.1 c1cc(nnc1CO)Cl PB17910 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [0,1,0,0,0,0|2,0,0]=3 269 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [0,1,0,0,0,0|2,0,0]=3 270 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [0,1,0,0,0,0|2,0,0]=3 271 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.69 Cc1c(ncc(n1)Br)O AB85718 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.69 Cc1cc(c(cn1)Br)Cl PB25215 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.69 Cc1cc(c(cn1)Br)F AB74992 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.69 Cc1cc(c(cn1)Br)N PB10415 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.69 Cc1cc(c(cn1)Cl)Br AB71664 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.69 Cc1cc(c(cn1)Cl)I AB71748 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.69 Cc1cc(c(cn1)Cl)N AB40682 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.69 Cc1cc(c(cn1)F)Br AB74121 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.69 Cc1cc(c(cn1)F)N AB70850 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.69 Cc1cc(c(cn1)N)Br AB68541 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.69 Cc1cc(c(cn1)N)Cl AB64291 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.69 Cc1cc(c(cn1)N)F AB73537 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.69 Cc1cc(c(cn1)N)N AB51224 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [0,1,0,0,0,0|2,0,0]=3 309 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,1,0,0,0,0|2,0,0]=3 310 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.69 Cc1cc(cc[n+]1[O-])Br AB70404 [0,1,0,0,0,0|2,0,1]=4 314 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,1,0,0,0,0|1,0,0]=2 315 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [0,1,0,0,0,0|3,0,0]=4 316 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [0,1,0,0,0,0|3,0,0]=4 317 B9R1.69 Cc1cc(cnc1Br)F AB53312 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.69 Cc1cc(cnc1Br)N AB13464 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.69 Cc1cc(cnc1Br)O AB53545 [0,1,0,0,0,0|2,0,0]=3 320 B9R1.69 Cc1cc(cnc1C)Br AB64498 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [0,1,0,0,0,0|3,0,0]=4 322 B9R1.69 Cc1cc(cnc1C)N AB42833 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.69 Cc1cc(cnc1F)Br AB13475 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.69 Cc1cc(cnc1F)N AB13474 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.69 Cc1cc(cnc1F)O AB53562 [0,1,0,0,0,0|2,0,0]=3 333 B9R1.69 Cc1cc(cnc1I)Br AB42361 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.69 Cc1cc(cnc1N)Br AB02787 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [0,1,0,0,0,0|3,0,0]=4 337 B9R1.69 Cc1cc(cnc1N)F AB41238 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.69 Cc1cc(cnc1N)I AB10923 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.69 Cc1cc(cnc1O)Br AB15087 [0,1,0,0,0,0|2,0,0]=3 340 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [0,1,0,0,0,0|2,0,0]=3 341 B9R1.69 Cc1cc(cnc1O)F AB82901 [0,1,0,0,0,0|2,0,0]=3 342 B9R1.69 Cc1cc(cnc1O)I CB10781 [0,1,0,0,0,0|2,0,0]=3 343 B9R1.69 Cc1cc(cnc1O)N AB41215 [0,1,0,0,0,0|2,0,0]=3 344 B9R1.69 Cc1cc(ncc1Br)Br AB05276 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.69 Cc1cc(ncc1Br)C AB53714 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.69 Cc1cc(ncc1Br)Cl AB15095 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.69 Cc1cc(ncc1Br)F AB53532 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.69 Cc1cc(ncc1Br)I AB52611 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.69 Cc1cc(ncc1Br)N AB15088 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.69 Cc1cc(ncc1Br)O AB15096 [0,1,0,0,0,0|2,0,0]=3 351 B9R1.69 Cc1cc(ncc1C)Br AB64948 [0,1,0,0,0,0|3,0,0]=4 352 B9R1.69 Cc1cc(ncc1C)N AB49139 [0,1,0,0,0,0|3,0,0]=4 353 B9R1.69 Cc1cc(ncc1C)O AB71287 [0,1,0,0,0,0|2,0,0]=3 354 B9R1.69 Cc1cc(ncc1Cl)Br AB64601 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.69 Cc1cc(ncc1Cl)Cl AB41172 [0,1,0,0,0,0|3,0,0]=4 356 B9R1.69 Cc1cc(ncc1Cl)N AB24850 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.69 Cc1cc(ncc1Cl)O AB41155 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.69 Cc1cc(ncc1F)Br AB44912 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.69 Cc1cc(ncc1I)N AB25384 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.69 Cc1cc(ncc1N)Br PB25040 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.69 Cc1cc(ncc1N)C AB41994 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.69 Cc1cc(ncc1N)F AB53863 [0,1,0,0,0,0|3,0,0]=4 363 B9R1.69 Cc1cc(ncc1O)C AB44457 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [0,1,0,0,0,0|2,0,0]=3 365 B9R1.69 Cc1cc(ncc1O)F AB71303 [0,1,0,0,0,0|2,0,0]=3 366 B9R1.69 Cc1cc(nnc1O)O PB15638 [0,1,0,0,0,0|2,0,0]=3 367 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [0,1,0,0,0,0|1,1,0]=3 368 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [0,1,0,0,0,0|2,0,0]=3 369 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [0,1,0,0,0,0|1,0,0]=2 370 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [0,1,0,0,0,0|2,0,0]=3 372 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [0,1,0,0,0,0|2,0,0]=3 373 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,1,0,0,0,0|2,0,0]=3 376 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,1,0,0,0,0|2,0,0]=3 380 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,1,0,0,0,0|3,0,0]=4 383 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,1,0,0,0,0|3,0,0]=4 386 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,1,0,0,0,0|3,0,0]=4 387 B9R1.69 Cc1ccc(cc1I)O MB07177 [0,1,0,0,0,0|1,0,0]=2 388 B9R1.69 Cc1ccc(cc1O)Br MB05210 [0,1,0,0,0,0|2,0,0]=3 389 B9R1.69 Cc1ccc(cc1O)I MB12091 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.69 Cc1ccc(nc1Br)Br AB16615 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.69 Cc1ccc(nc1Br)Cl AB62917 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.69 Cc1ccc(nc1Br)F AB71569 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.69 Cc1ccc(nc1C)Br AB64947 [0,1,0,0,0,0|3,0,0]=4 395 B9R1.69 Cc1ccc(nc1C)N AB23050 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.69 Cc1ccc(nc1C)O AB54521 [0,1,0,0,0,0|2,0,0]=3 397 B9R1.69 Cc1ccc(nc1Cl)Br AB74690 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.69 Cc1ccc(nc1Cl)N AB70428 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [0,1,0,0,0,0|2,0,0]=3 400 B9R1.69 Cc1ccc(nc1F)Br AB74556 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.69 Cc1ccc(nc1F)N AB83080 [0,1,0,0,0,0|3,0,0]=4 402 B9R1.69 Cc1ccc(nc1F)O AB71306 [0,1,0,0,0,0|2,0,0]=3 403 B9R1.69 Cc1ccc(nc1N)Br AB71668 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.69 Cc1ccc(nc1N)Cl AB73562 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.69 Cc1ccc(nc1N)F AB82883 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.69 Cc1ccc(nc1N)N AB43423 [0,1,0,0,0,0|3,0,0]=4 408 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [0,1,0,0,0,0|3,0,0]=4 410 B9R1.69 Cc1ccc(nc1O)F AB82880 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.69 Cc1cnc(cc1Br)Cl AB63102 [0,1,0,0,0,0|3,0,0]=4 412 B9R1.69 Cc1cnc(cc1Br)F AB71091 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.69 Cc1cnc(cc1Cl)Br AB63106 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.69 Cc1cnc(cc1Cl)N AB63097 [0,1,0,0,0,0|3,0,0]=4 415 B9R1.69 Cc1cnc(cc1Cl)O AB71200 [0,1,0,0,0,0|2,0,0]=3 416 B9R1.69 Cc1cnc(cc1F)Br AB71082 [0,1,0,0,0,0|3,0,0]=4 417 B9R1.69 Cc1cnc(cc1F)N AB70899 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.69 Cc1cnc(cc1F)O AB71320 [0,1,0,0,0,0|2,0,0]=3 419 B9R1.69 Cc1cnc(cc1N)Br AB63107 [0,1,0,0,0,0|3,0,0]=4 420 B9R1.69 Cc1cnc(cc1N)Cl AB65156 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.69 Cc1cnc(cc1N)F AB82864 [0,1,0,0,0,0|3,0,0]=4 422 B9R1.69 Cc1cnc(cc1O)Cl AB71181 [0,1,0,0,0,0|3,0,0]=4 423 B9R1.69 Cc1cnc(cc1O)F AB71302 [0,1,0,0,0,0|3,0,0]=4 424 B9R1.69 Cn1cc(ccc1=O)Br PB32830 [0,1,0,0,0,0|2,0,1]=4 425 B9R1.69 Cn1cc(ccc1=O)N PB19693 [0,1,0,0,0,0|2,0,1]=4 426 B9R1.69 Cn1ccc(=O)c(c1)I MB19762 [0,1,0,0,0,0|2,0,1]=4 427 B9R1.69 Cn1ccc(cc1=O)Br PB26645 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.69 Cn1ccc(cc1=O)Cl MB19760 [0,1,0,0,0,0|3,0,0]=4 429 B9R1.69 Cn1ccc(cc1=O)I MB14735 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.69 Cn1ccc(cc1=O)N PB11442 [0,1,0,0,0,0|3,0,0]=4 431 B9R1.69 c1c(c(cnc1Br)Br)O AB63125 [0,1,0,0,0,0|3,0,0]=4 432 B9R1.69 c1c(c(cnc1Br)Cl)Cl AB63111 [0,1,0,0,0,0|3,0,0]=4 433 B9R1.69 c1c(c(cnc1Br)Cl)F AB63114 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.69 c1c(c(cnc1Br)Cl)I AB70807 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.69 c1c(c(cnc1Br)Cl)N AB65425 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.69 c1c(c(cnc1Br)Cl)O AB69302 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.69 c1c(c(cnc1Br)F)Cl AB63112 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.69 c1c(c(cnc1Br)F)N AB05092 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.69 c1c(c(cnc1Br)F)O AB69315 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.69 c1c(c(cnc1Br)N)Cl AB75030 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.69 c1c(c(cnc1Br)N)N AB63109 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.69 c1c(c(cnc1Br)O)Cl AB74967 [0,1,0,0,0,0|2,0,0]=3 443 B9R1.69 c1c(c(cnc1Cl)Br)Cl AB49334 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.69 c1c(c(cnc1Cl)Br)I AB55676 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.69 c1c(c(cnc1Cl)Br)N PB26428 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.69 c1c(c(cnc1Cl)Br)O AB69298 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.69 c1c(c(cnc1Cl)Cl)I AB66762 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.69 c1c(c(cnc1Cl)Cl)N AB62909 [0,1,0,0,0,0|3,0,0]=4 449 B9R1.69 c1c(c(cnc1Cl)Cl)O AB10186 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.69 c1c(c(cnc1Cl)F)Br AB25947 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.69 c1c(c(cnc1Cl)F)I AB13669 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.69 c1c(c(cnc1Cl)F)N AB71414 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.69 c1c(c(cnc1Cl)F)O AB69309 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.69 c1c(c(cnc1Cl)I)N PB25202 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.69 c1c(c(cnc1Cl)N)Cl AB05110 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.69 c1c(c(cnc1Cl)N)N PB14373 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.69 c1c(c(cnc1Cl)N)O AB69320 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.69 c1c(c(cnc1Cl)O)Cl AB69698 [0,1,0,0,0,0|2,0,0]=3 459 B9R1.69 c1c(c(cnc1Cl)O)N AB69322 [0,1,0,0,0,0|2,0,0]=3 460 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [0,1,0,0,0,0|2,0,0]=3 461 B9R1.69 c1c(c(cnc1F)Br)Cl AB66391 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.69 c1c(c(cnc1F)Br)N PB22736 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.69 c1c(c(cnc1F)Cl)I AB17633 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.69 c1c(c(cnc1F)N)Cl AB75066 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.69 c1c(c(cnc1F)N)N AB51225 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.69 c1c(c(cnc1F)O)Cl AB71151 [0,1,0,0,0,0|2,0,0]=3 467 B9R1.69 c1c(c(cnc1I)Br)Cl AB73519 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.69 c1c(c(cnc1I)Br)F AB73522 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.69 c1c(c(cnc1I)Cl)Cl AB70215 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.69 c1c(c(cnc1N)Br)Cl PB17989 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.69 c1c(c(cnc1N)Cl)Br AB70622 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.69 c1c(c(cnc1N)Cl)Cl AB41930 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.69 c1c(c(cnc1N)Cl)F AB82981 [0,1,0,0,0,0|3,0,0]=4 474 B9R1.69 c1c(c(cnc1N)Cl)I AB72299 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.69 c1c(c(cnc1N)Cl)N AB70629 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.69 c1c(c(cnc1N)Cl)O AB42978 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.69 c1c(c(cnc1N)F)Cl AB83155 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.69 c1c(c(cnc1N)N)Cl AB64825 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.69 c1c(c(cnc1N)N)N AB60253 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.69 c1c(c(cnc1N)O)Cl AB84009 [0,1,0,0,0,0|2,0,0]=3 481 B9R1.69 c1c(c(cnc1O)Cl)F AB71160 [0,1,0,0,0,0|2,0,0]=3 482 B9R1.69 c1c(c(cnc1O)Cl)N AB70866 [0,1,0,0,0,0|2,0,0]=3 483 B9R1.69 c1c(c(cnc1O)F)Cl AB71159 [0,1,0,0,0,0|2,0,0]=3 484 B9R1.69 c1c(c(cnc1O)N)Cl AB83889 [0,1,0,0,0,0|2,0,0]=3 485 B9R1.69 c1c(c(cnc1O)O)Cl AB84006 [0,1,0,0,0,0|1,0,0]=2 486 B9R1.69 c1c(cnc(c1Br)Cl)Cl AB25941 [0,1,0,0,0,0|3,0,0]=4 487 B9R1.69 c1c(cnc(c1Br)Cl)F AB13638 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.69 c1c(cnc(c1Br)Cl)N CB10761 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.69 c1c(cnc(c1Br)Cl)O CB11311 [0,1,0,0,0,0|2,0,0]=3 490 B9R1.69 c1c(cnc(c1Br)F)Cl AB20989 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.69 c1c(cnc(c1Br)I)Cl AB64692 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.69 c1c(cnc(c1Br)N)Br AB01699 [0,1,0,0,0,0|3,0,0]=4 493 B9R1.69 c1c(cnc(c1Br)N)Cl AB07737 [0,1,0,0,0,0|3,0,0]=4 494 B9R1.69 c1c(cnc(c1Br)N)I AB44276 [0,1,0,0,0,0|3,0,0]=4 495 B9R1.69 c1c(cnc(c1Br)O)Br AB01360 [0,1,0,0,0,0|2,0,0]=3 496 B9R1.69 c1c(cnc(c1Br)O)Cl AB09921 [0,1,0,0,0,0|2,0,0]=3 497 B9R1.69 c1c(cnc(c1Cl)Br)Br PB18868 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.69 c1c(cnc(c1Cl)Br)Cl AB05062 [0,1,0,0,0,0|3,0,0]=4 499 B9R1.69 c1c(cnc(c1Cl)Br)F AB66730 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.69 c1c(cnc(c1Cl)Cl)I PB23692 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.69 c1c(cnc(c1Cl)F)Br AB52757 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.69 c1c(cnc(c1Cl)F)N AB75047 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.69 c1c(cnc(c1Cl)F)O AB43291 [0,1,0,0,0,0|2,0,0]=3 504 B9R1.69 c1c(cnc(c1Cl)N)Br AB63574 [0,1,0,0,0,0|3,0,0]=4 505 B9R1.69 c1c(cnc(c1Cl)N)Cl AB00689 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.69 c1c(cnc(c1Cl)N)F AB50026 [0,1,0,0,0,0|3,0,0]=4 507 B9R1.69 c1c(cnc(c1Cl)N)N AB70626 [0,1,0,0,0,0|3,0,0]=4 508 B9R1.69 c1c(cnc(c1Cl)O)Br AB05076 [0,1,0,0,0,0|2,0,0]=3 509 B9R1.69 c1c(cnc(c1Cl)O)Cl AB03534 [0,1,0,0,0,0|2,0,0]=3 510 B9R1.69 c1c(cnc(c1Cl)O)F AB66743 [0,1,0,0,0,0|2,0,0]=3 511 B9R1.69 c1c(cnc(c1Cl)O)N AB76242 [0,1,0,0,0,0|2,0,0]=3 512 B9R1.69 c1c(cnc(c1Cl)O)O AB71133 [0,1,0,0,0,0|1,0,0]=2 513 B9R1.69 c1c(cnc(c1F)Br)Cl AB62913 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.69 c1c(cnc(c1F)Cl)Br AB14161 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.69 c1c(cnc(c1F)Cl)N AB75042 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.69 c1c(cnc(c1F)Cl)O AB14157 [0,1,0,0,0,0|2,0,0]=3 517 B9R1.69 c1c(cnc(c1F)I)Br AB73520 [0,1,0,0,0,0|3,0,0]=4 518 B9R1.69 c1c(cnc(c1F)N)Cl AB53928 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.69 c1c(cnc(c1F)O)Br AB40961 [0,1,0,0,0,0|2,0,0]=3 520 B9R1.69 c1c(cnc(c1F)O)Cl AB41032 [0,1,0,0,0,0|2,0,0]=3 521 B9R1.69 c1c(cnc(c1I)Cl)Br AB48194 [0,1,0,0,0,0|3,0,0]=4 522 B9R1.69 c1c(cnc(c1I)Cl)F AB13622 [0,1,0,0,0,0|3,0,0]=4 523 B9R1.69 c1c(cnc(c1I)N)Br AB25852 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.69 c1c(cnc(c1I)N)Cl AB42079 [0,1,0,0,0,0|3,0,0]=4 525 B9R1.69 c1c(cnc(c1I)N)F AB48199 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.69 c1c(cnc(c1I)O)Br AB48195 [0,1,0,0,0,0|2,0,0]=3 527 B9R1.69 c1c(cnc(c1N)Br)Br PB32717 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.69 c1c(cnc(c1N)Br)F AB21745 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.69 c1c(cnc(c1N)Cl)Br PB21183 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.69 c1c(cnc(c1N)Cl)Cl AB04748 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.69 c1c(cnc(c1N)Cl)F AB44890 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.69 c1c(cnc(c1N)Cl)I AB17086 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.69 c1c(cnc(c1N)Cl)N AB51565 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.69 c1c(cnc(c1N)Cl)O AB70860 [0,1,0,0,0,0|2,0,0]=3 535 B9R1.69 c1c(cnc(c1N)F)Cl AB25964 [0,1,0,0,0,0|3,0,0]=4 536 B9R1.69 c1c(cnc(c1N)N)Br PB10156 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.69 c1c(cnc(c1N)N)Cl AB08400 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.69 c1c(cnc(c1N)N)I AB60257 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.69 c1c(cnc(c1N)O)Br AB16428 [0,1,0,0,0,0|2,0,0]=3 540 B9R1.69 c1c(cnc(c1N)O)Cl AB40990 [0,1,0,0,0,0|2,0,0]=3 541 B9R1.69 c1c(cnc(c1N)O)N AB64414 [0,1,0,0,0,0|2,0,0]=3 542 B9R1.69 c1c(cnc(c1N)S)Br AB40982 [0,1,0,0,0,0|2,1,0]=4 543 B9R1.69 c1c(cnc(c1N)S)Cl AB41057 [0,1,0,0,0,0|2,1,0]=4 544 B9R1.69 c1c(cnc(c1O)Br)F MB09912 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.69 c1c(cnc(c1O)Cl)Br PB17565 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.69 c1c(cnc(c1O)Cl)Cl AB66760 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.69 c1c(cnc(c1O)Cl)F AB13634 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.69 c1c(cnc(c1O)Cl)N AB76704 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [0,1,0,0,0,0|2,0,0]=3 550 B9R1.69 c1cc([n+](cc1Br)[O-])Br AB23015 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.69 c1cc(c(cc1Br)Br)I AB51495 [0,1,0,0,0,0|2,0,0]=3 552 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [0,1,0,0,0,0|1,0,0]=2 553 B9R1.69 c1cc(c(cc1Br)I)N AB10839 [0,1,0,0,0,0|2,0,0]=3 554 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [0,1,0,0,0,0|1,0,0]=2 555 B9R1.69 c1cc(c(cc1Br)N)I AB51497 [0,1,0,0,0,0|2,0,0]=3 556 B9R1.69 c1cc(c(cc1Br)N)N AB11949 [0,1,0,0,0,0|2,0,0]=3 557 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [0,1,0,0,0,0|1,0,0]=2 558 B9R1.69 c1cc(c(cc1Br)N)S AB54823 [0,1,0,0,0,0|1,1,0]=3 559 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [0,1,0,0,0,0|2,0,0]=3 560 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [0,1,0,0,0,0|2,0,0]=3 561 B9R1.69 c1cc(c(cc1Br)S)N AB07437 [0,1,0,0,0,0|2,0,0]=3 562 B9R1.69 c1cc(c(cc1Cl)I)N PB21792 [0,1,0,0,0,0|2,0,0]=3 563 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [0,1,0,0,0,0|1,0,0]=2 564 B9R1.69 c1cc(c(cc1Cl)N)I AB28269 [0,1,0,0,0,0|2,0,0]=3 565 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [0,1,0,0,0,0|2,0,0]=3 566 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [0,1,0,0,0,0|2,0,0]=3 567 B9R1.69 c1cc(c(cc1Cl)S)N AB13353 [0,1,0,0,0,0|2,0,0]=3 568 B9R1.69 c1cc(c(cc1F)F)I MB00398 [0,1,0,0,0,0|2,0,0]=3 569 B9R1.69 c1cc(c(cc1F)I)N AB01932 [0,1,0,0,0,0|2,0,0]=3 570 B9R1.69 c1cc(c(cc1F)I)O MB14767 [0,1,0,0,0,0|1,0,0]=2 571 B9R1.69 c1cc(c(cc1F)N)N AB01910 [0,1,0,0,0,0|2,0,0]=3 572 B9R1.69 c1cc(c(cc1F)N)S AB54821 [0,1,0,0,0,0|1,1,0]=3 573 B9R1.69 c1cc(c(cc1F)O)I MB25431 [0,1,0,0,0,0|2,0,0]=3 574 B9R1.69 c1cc(c(cc1F)S)N AB54817 [0,1,0,0,0,0|2,0,0]=3 575 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [0,1,0,0,0,0|1,0,0]=2 576 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [0,1,0,0,0,0|1,0,0]=2 577 B9R1.69 c1cc(c(cc1I)F)O MB09308 [0,1,0,0,0,0|1,0,0]=2 578 B9R1.69 c1cc(c(cc1I)I)O MB01999 [0,1,0,0,0,0|1,0,0]=2 579 B9R1.69 c1cc(c(cc1I)N)Cl AB64100 [0,1,0,0,0,0|2,0,0]=3 580 B9R1.69 c1cc(c(cc1I)N)O MB14432 [0,1,0,0,0,0|1,0,0]=2 581 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.69 c1cc(c(cc1I)O)F MB14983 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.69 c1cc(c(cc1I)O)I MB07529 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.69 c1cc(c(cc1I)O)N MB14436 [0,1,0,0,0,0|2,0,0]=3 585 B9R1.69 c1cc(c(cc1N)Cl)I AB02146 [0,1,0,0,0,0|2,0,0]=3 586 B9R1.69 c1cc(c(cc1N)F)Cl AB08243 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.69 c1cc(c(cc1N)F)I AB42340 [0,1,0,0,0,0|2,0,0]=3 588 B9R1.69 c1cc(c(cc1N)F)N MB08293 [0,1,0,0,0,0|2,0,0]=3 589 B9R1.69 c1cc(c(cc1N)I)Cl MB09944 [0,1,0,0,0,0|2,0,0]=3 590 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [0,1,0,0,0,0|2,0,0]=3 591 B9R1.69 c1cc(c(cc1N)O)F MB13362 [0,1,0,0,0,0|2,0,0]=3 592 B9R1.69 c1cc(c(cc1N)O)I MB37209 [0,1,0,0,0,0|2,0,0]=3 593 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [0,1,0,0,0,0|1,0,0]=2 594 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [0,1,0,0,0,0|1,0,0]=2 595 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [0,1,0,0,0,0|1,0,0]=2 596 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [0,1,0,0,0,0|1,0,0]=2 597 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [0,1,0,0,0,0|1,0,0]=2 598 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [0,1,0,0,0,0|1,0,0]=2 599 B9R1.69 c1cc(c(cc1O)F)I MB11930 [0,1,0,0,0,0|1,0,0]=2 600 B9R1.69 c1cc(c(cc1O)F)N AB09438 [0,1,0,0,0,0|1,0,0]=2 601 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [0,1,0,0,0,0|1,0,0]=2 602 B9R1.69 c1cc(c(cc1O)I)F MB25606 [0,1,0,0,0,0|1,0,0]=2 603 B9R1.69 c1cc(c(cc1O)I)I MB25449 [0,1,0,0,0,0|1,0,0]=2 604 B9R1.69 c1cc(c(cc1O)I)N MB25412 [0,1,0,0,0,0|1,0,0]=2 605 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [0,1,0,0,0,0|1,0,0]=2 606 B9R1.69 c1cc(c(cc1O)N)I MB13452 [0,1,0,0,0,0|1,0,0]=2 607 B9R1.69 c1cc(c(cc1O)N)N MB04238 [0,1,0,0,0,0|1,0,0]=2 608 B9R1.69 c1cc(nc(c1Br)Cl)I AB73525 [0,1,0,0,0,0|3,0,0]=4 609 B9R1.69 c1cc(nc(c1Br)F)I AB73526 [0,1,0,0,0,0|3,0,0]=4 610 B9R1.69 c1cc(nc(c1Br)I)N CB11794 [0,1,0,0,0,0|3,0,0]=4 611 B9R1.69 c1cc(nc(c1Br)N)Br AB13816 [0,1,0,0,0,0|3,0,0]=4 612 B9R1.69 c1cc(nc(c1Br)N)Cl AB68223 [0,1,0,0,0,0|3,0,0]=4 613 B9R1.69 c1cc(nc(c1Br)N)N PB14375 [0,1,0,0,0,0|3,0,0]=4 614 B9R1.69 c1cc(nc(c1Cl)F)Br AB74962 [0,1,0,0,0,0|3,0,0]=4 615 B9R1.69 c1cc(nc(c1Cl)F)N AB74549 [0,1,0,0,0,0|3,0,0]=4 616 B9R1.69 c1cc(nc(c1Cl)F)O AB71143 [0,1,0,0,0,0|2,0,0]=3 617 B9R1.69 c1cc(nc(c1Cl)N)Br AB68234 [0,1,0,0,0,0|3,0,0]=4 618 B9R1.69 c1cc(nc(c1Cl)N)Cl AB06148 [0,1,0,0,0,0|3,0,0]=4 619 B9R1.69 c1cc(nc(c1Cl)N)N AB03196 [0,1,0,0,0,0|3,0,0]=4 620 B9R1.69 c1cc(nc(c1Cl)N)O AB83953 [0,1,0,0,0,0|2,0,0]=3 621 B9R1.69 c1cc(nc(c1Cl)O)Br AB84077 [0,1,0,0,0,0|3,0,0]=4 622 B9R1.69 c1cc(nc(c1Cl)O)Cl AB10185 [0,1,0,0,0,0|3,0,0]=4 623 B9R1.69 c1cc(nc(c1Cl)O)N AB84080 [0,1,0,0,0,0|3,0,0]=4 624 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [0,1,0,0,0,0|2,0,0]=3 625 B9R1.69 c1cc(nc(c1F)Br)Cl AB74954 [0,1,0,0,0,0|3,0,0]=4 626 B9R1.69 c1cc(nc(c1F)Cl)Br AB74951 [0,1,0,0,0,0|3,0,0]=4 627 B9R1.69 c1cc(nc(c1F)Cl)N AB75035 [0,1,0,0,0,0|3,0,0]=4 628 B9R1.69 c1cc(nc(c1F)Cl)O AB71136 [0,1,0,0,0,0|2,0,0]=3 629 B9R1.69 c1cc(nc(c1F)N)Cl AB73059 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.69 c1cc(nc(c1F)O)Cl AB83102 [0,1,0,0,0,0|3,0,0]=4 631 B9R1.69 c1cc(nc(c1N)Br)Br PB17118 [0,1,0,0,0,0|3,0,0]=4 632 B9R1.69 c1cc(nc(c1N)Br)Cl PB34600 [0,1,0,0,0,0|3,0,0]=4 633 B9R1.69 c1cc(nc(c1N)Cl)Br AB20901 [0,1,0,0,0,0|3,0,0]=4 634 B9R1.69 c1cc(nc(c1N)Cl)Cl AB01354 [0,1,0,0,0,0|3,0,0]=4 635 B9R1.69 c1cc(nc(c1N)Cl)N AB83963 [0,1,0,0,0,0|3,0,0]=4 636 B9R1.69 c1cc(nc(c1N)Cl)O AB70861 [0,1,0,0,0,0|2,0,0]=3 637 B9R1.69 c1cc(nc(c1N)N)Br AB60264 [0,1,0,0,0,0|3,0,0]=4 638 B9R1.69 c1cc(nc(c1N)N)Cl PB14154 [0,1,0,0,0,0|3,0,0]=4 639 B9R1.69 c1cc(nc(c1N)N)F AB66676 [0,1,0,0,0,0|3,0,0]=4 640 B9R1.69 c1cc(nc(c1N)N)N AB03630 [0,1,0,0,0,0|3,0,0]=4 641 B9R1.69 c1cc(nc(c1N)O)Br AB26870 [0,1,0,0,0,0|3,0,0]=4 642 B9R1.69 c1cc(nc(c1O)Cl)Br AB64867 [0,1,0,0,0,0|2,0,0]=3 643 B9R1.69 c1cc(nc(c1O)Cl)Cl AB62926 [0,1,0,0,0,0|2,0,0]=3 644 B9R1.69 c1cc(nc(c1O)Cl)N AB84093 [0,1,0,0,0,0|2,0,0]=3 645 B9R1.69 c1cc(nc(c1O)Cl)O AB71131 [0,1,0,0,0,0|1,0,0]=2 646 B9R1.69 c1cc(nc(c1O)N)Br AB63559 [0,1,0,0,0,0|2,0,0]=3 647 B9R1.69 c1cc(nc(c1O)N)Cl AB69334 [0,1,0,0,0,0|2,0,0]=3 648 B7R1.2 Cc1cc(cs1)Br AB20690 [0,0,0,0,1,0|3,0,0]=4 649 B7R1.2 Cc1cc(sc1)C CB10250 [0,0,0,0,1,0|3,0,0]=4 650 B7R1.2 Cc1ccc(o1)Br AB64979 [0,0,0,0,1,0|3,0,0]=4 651 B7R1.2 Cc1cnc(o1)O AB53086 [0,0,0,0,1,0|3,0,0]=4 652 B7R1.2 Cc1cnc(s1)O AB53102 [0,0,0,0,1,0|3,0,0]=4 653 B7R1.2 Cn1ccc(c1)Br AB63663 [0,0,0,0,1,0|3,0,0]=4 654 B7R1.2 c1c(csc1Cl)N PB15475 [0,0,0,0,1,0|3,0,0]=4 655 B8R1.2 C#Cc1ccccn1 PB17077 [1,1,0,0,0,0|2,0,0]=4 656 B8R1.2 C#Cc1cccnc1 PB29186 [1,1,0,0,0,0|2,0,0]=4 657 B8R1.2 C#Cc1ccncc1 PB29291 [1,1,0,0,0,0|2,0,0]=4 658 B8R1.2 CNc1cccnc1 AB09114 [1,1,0,0,0,0|2,0,0]=4 659 B8R1.2 COc1cccnc1 AB06864 [1,1,0,0,0,0|1,0,0]=3 660 B8R1.2 COc1cccnn1 AB05130 [1,1,0,0,0,0|2,0,0]=4 661 B8R1.2 COc1ccnnc1 AB44150 [1,1,0,0,0,0|2,0,0]=4 662 B8R1.2 c1c(cncn1)CO PB18631 [1,1,0,0,0,0|2,0,0]=4 663 B8R1.2 c1cc(cnc1)C=O AB00744 [1,1,0,0,0,0|1,0,1]=4 664 B8R1.2 c1cc(cnc1)CCl AB01984 [1,1,0,0,0,0|2,0,0]=4 665 B8R1.2 c1cc(cnc1)CN AB00752 [1,1,0,0,0,0|2,0,0]=4 666 B8R1.2 c1cc(cnc1)NN AB42924 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.2 c1cc(cnc1)NN PB18886 [1,1,0,0,0,0|2,0,0]=4 668 B8R1.2 c1cc(nnc1)CO PB30818 [1,1,0,0,0,0|2,0,0]=4 669 B8R1.2 c1ccnc(c1)C=O AB00680 [1,1,0,0,0,0|1,0,1]=4 670 B8R1.2 c1ccnc(c1)CBr MB02148 [1,1,0,0,0,0|2,0,0]=4 671 B8R1.2 c1ccnc(c1)CCl AB22495 [1,1,0,0,0,0|2,0,0]=4 672 B8R1.2 c1ccnc(c1)CN AB00731 [1,1,0,0,0,0|2,0,0]=4 673 B8R1.2 c1cnc(cn1)CO PB21779 [1,1,0,0,0,0|2,0,0]=4 674 B8R1.2 c1cnc(nc1)CO PB12410 [1,1,0,0,0,0|2,0,0]=4 675 B8R1.2 c1cnccc1C=O AB00754 [1,1,0,0,0,0|1,0,1]=4 676 B8R1.2 c1cnccc1CCl AB15539 [1,1,0,0,0,0|2,0,0]=4 677 B8R1.2 c1cnccc1CN AB00767 [1,1,0,0,0,0|2,0,0]=4 678 B8R1.2 c1cnccc1NN PB27392 [1,1,0,0,0,0|2,0,0]=4 679 B8R1.2 c1cnccc1ON AB31585 [1,1,0,0,0,0|1,0,0]=3 680 B8R1.2 c1cncnc1CO PB12296 [1,1,0,0,0,0|2,0,0]=4 681 B8R1.2 c1cnncc1CO PB26178 [1,1,0,0,0,0|2,0,0]=4 682 B8R1.4 Cc1cc(ccn1)Br AB17599 [1,1,0,0,0,0|2,0,0]=4 683 B8R1.4 Cc1cc(ccn1)Br PB26077 [1,1,0,0,0,0|2,0,0]=4 684 B8R1.4 Cc1cc(ccn1)Cl AB01756 [1,1,0,0,0,0|2,0,0]=4 685 B8R1.4 Cc1cc(ccn1)F AB17919 [1,1,0,0,0,0|2,0,0]=4 686 B8R1.4 Cc1cc(ccn1)O PB24839 [1,1,0,0,0,0|1,0,0]=3 687 B8R1.4 Cc1cc(cnc1)Br AB09597 [1,1,0,0,0,0|2,0,0]=4 688 B8R1.4 Cc1cc(cnc1)Cl AB17994 [1,1,0,0,0,0|2,0,0]=4 689 B8R1.4 Cc1cc(cnc1)F AB13643 [1,1,0,0,0,0|2,0,0]=4 690 B8R1.4 Cc1cc(cnc1)N AB17573 [1,1,0,0,0,0|2,0,0]=4 691 B8R1.4 Cc1cc(cnc1)O MB01362 [1,1,0,0,0,0|1,0,0]=3 692 B8R1.4 Cc1cccc(n1)Br AB01812 [1,1,0,0,0,0|2,0,0]=4 693 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,1,0,0,0,0|2,0,0]=4 694 B8R1.4 Cc1cccc(n1)F AB01860 [1,1,0,0,0,0|2,0,0]=4 695 B8R1.4 Cc1cccc(n1)N AB00717 [1,1,0,0,0,0|2,0,0]=4 696 B8R1.4 Cc1cccc(n1)O AB00679 [1,1,0,0,0,0|1,0,0]=3 697 B8R1.4 Cc1cccc(n1)S AB25230 [1,1,0,0,0,0|1,1,0]=4 698 B8R1.4 Cc1ccnc(c1)Br AB03099 [1,1,0,0,0,0|2,0,0]=4 699 B8R1.4 Cc1ccnc(c1)Cl PB10051 [1,1,0,0,0,0|2,0,0]=4 700 B8R1.4 Cc1ccnc(c1)F AB01854 [1,1,0,0,0,0|2,0,0]=4 701 B8R1.4 Cc1ccnc(c1)N AB00703 [1,1,0,0,0,0|2,0,0]=4 702 B8R1.4 Cc1ccnc(c1)O AB03735 [1,1,0,0,0,0|1,0,0]=3 703 B8R1.4 c1c(cncc1Br)Br AB01172 [1,1,0,0,0,0|2,0,0]=4 704 B8R1.4 c1c(cncc1Br)Cl AB18001 [1,1,0,0,0,0|2,0,0]=4 705 B8R1.4 c1c(cncc1Br)N PB12251 [1,1,0,0,0,0|2,0,0]=4 706 B8R1.4 c1c(cncc1Br)O PB30658 [1,1,0,0,0,0|1,0,0]=3 707 B8R1.4 c1c(cncc1Cl)Cl AB00743 [1,1,0,0,0,0|2,0,0]=4 708 B8R1.4 c1c(cncc1Cl)F AB21896 [1,1,0,0,0,0|2,0,0]=4 709 B8R1.4 c1c(cncc1Cl)N AB15758 [1,1,0,0,0,0|2,0,0]=4 710 B8R1.4 c1c(cncc1F)F AB14383 [1,1,0,0,0,0|2,0,0]=4 711 B8R1.4 c1c(cncc1F)N AB05123 [1,1,0,0,0,0|2,0,0]=4 712 B8R1.4 c1c(cncc1F)O AB13569 [1,1,0,0,0,0|1,0,0]=3 713 B8R1.4 c1c(cncc1I)Br AB13102 [1,1,0,0,0,0|2,0,0]=4 714 B8R1.4 c1c(cncc1I)Cl AB43784 [1,1,0,0,0,0|2,0,0]=4 715 B8R1.4 c1c(cncc1I)F AB45557 [1,1,0,0,0,0|2,0,0]=4 716 B8R1.4 c1c(cncc1I)I PB19957 [1,1,0,0,0,0|2,0,0]=4 717 B8R1.4 c1c(cncc1I)N AB43802 [1,1,0,0,0,0|2,0,0]=4 718 B8R1.4 c1c(cncc1N)N AB07746 [1,1,0,0,0,0|2,0,0]=4 719 B8R1.4 c1c(cncc1O)N AB17983 [1,1,0,0,0,0|1,0,0]=3 720 B8R1.4 c1c(cncc1O)O MB02073 [1,1,0,0,0,0|1,0,0]=3 721 B8R1.4 c1c(cnnc1O)Cl AB61137 [1,1,0,0,0,0|2,0,0]=4 722 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [1,1,0,0,0,0|2,0,0]=4 723 B8R1.4 c1c(ncnc1Cl)O AB05055 [1,1,0,0,0,0|2,0,0]=4 724 B8R1.4 c1c(ncnc1O)N AB02119 [1,1,0,0,0,0|2,0,0]=4 725 B8R1.4 c1cc(c[n+](c1)[O-])Br AB09548 [1,1,0,0,0,0|1,0,1]=4 726 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [1,1,0,0,0,0|2,0,0]=4 727 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [1,1,0,0,0,0|2,0,0]=4 728 B8R1.4 c1cc(nc(c1)Br)F AB13626 [1,1,0,0,0,0|2,0,0]=4 729 B8R1.4 c1cc(nc(c1)Br)N PB32140 [1,1,0,0,0,0|2,0,0]=4 730 B8R1.4 c1cc(nc(c1)Br)O AB05100 [1,1,0,0,0,0|1,0,0]=3 731 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [1,1,0,0,0,0|2,0,0]=4 732 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [1,1,0,0,0,0|2,0,0]=4 733 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [1,1,0,0,0,0|2,0,0]=4 734 B8R1.4 c1cc(nc(c1)F)N AB17974 [1,1,0,0,0,0|2,0,0]=4 735 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [1,1,0,0,0,0|2,0,0]=4 736 B8R1.4 c1cc(nc(c1)I)I AB31088 [1,1,0,0,0,0|2,0,0]=4 737 B8R1.4 c1cc(nc(c1)I)N AB42508 [1,1,0,0,0,0|2,0,0]=4 738 B8R1.4 c1cnc(cc1Br)Br PB10210 [1,1,0,0,0,0|2,0,0]=4 739 B8R1.4 c1cnc(cc1Br)Cl AB16617 [1,1,0,0,0,0|2,0,0]=4 740 B8R1.4 c1cnc(cc1Br)F AB17567 [1,1,0,0,0,0|2,0,0]=4 741 B8R1.4 c1cnc(cc1Br)I AB31627 [1,1,0,0,0,0|2,0,0]=4 742 B8R1.4 c1cnc(cc1Br)N PB12936 [1,1,0,0,0,0|2,0,0]=4 743 B8R1.4 c1cnc(cc1Cl)Br PB23373 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [1,1,0,0,0,0|2,0,0]=4 745 B8R1.4 c1cnc(cc1Cl)F AB17564 [1,1,0,0,0,0|2,0,0]=4 746 B8R1.4 c1cnc(cc1Cl)N PB32361 [1,1,0,0,0,0|2,0,0]=4 747 B8R1.4 c1cnc(cc1Cl)O AB13188 [1,1,0,0,0,0|1,0,0]=3 748 B8R1.4 c1cnc(cc1F)Br AB50032 [1,1,0,0,0,0|2,0,0]=4 749 B8R1.4 c1cnc(cc1F)Cl AB17349 [1,1,0,0,0,0|2,0,0]=4 750 B8R1.4 c1cnc(cc1F)F PB26122 [1,1,0,0,0,0|2,0,0]=4 751 B8R1.4 c1cnc(cc1F)N AB50025 [1,1,0,0,0,0|2,0,0]=4 752 B8R1.4 c1cnc(cc1I)Br PB29229 [1,1,0,0,0,0|2,0,0]=4 753 B8R1.4 c1cnc(cc1I)Cl PB17253 [1,1,0,0,0,0|2,0,0]=4 754 B8R1.4 c1cnc(cc1I)F PB12274 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.4 c1cnc(cc1I)N PB10642 [1,1,0,0,0,0|2,0,0]=4 756 B8R1.4 c1cnc(cc1N)Br PB30686 [1,1,0,0,0,0|2,0,0]=4 757 B8R1.4 c1cnc(cc1N)Cl PB24583 [1,1,0,0,0,0|2,0,0]=4 758 B8R1.4 c1cnc(cc1N)F PB21208 [1,1,0,0,0,0|2,0,0]=4 759 B8R1.4 c1cnc(cc1N)O PB15716 [1,1,0,0,0,0|1,0,0]=3 760 B8R1.4 c1cnc(cc1O)Br AB05095 [1,1,0,0,0,0|1,0,0]=3 761 B8R1.4 c1cnc(cc1O)Cl AB09576 [1,1,0,0,0,0|1,0,0]=3 762 B8R1.4 c1cnc(cc1O)F AB17930 [1,1,0,0,0,0|1,0,0]=3 763 B8R1.4 c1cnc(cc1O)I MB26582 [1,1,0,0,0,0|1,0,0]=3 764 B8R1.4 c1cnc(cc1O)N AB17934 [1,1,0,0,0,0|1,0,0]=3 765 B8R1.4 c1cnc(nc1Cl)O AB68453 [1,1,0,0,0,0|2,0,0]=4 766 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [1,1,0,0,0,0|0,0,2]=4 767 B8R1.5 Cc1c(cccn1)Br PB27472 [1,1,0,0,0,0|2,0,0]=4 768 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,1,0,0,0,0|2,0,0]=4 769 B8R1.5 Cc1c(cccn1)F AB48604 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.5 Cc1c(cccn1)N PB33695 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.5 Cc1c(cccn1)O PB18442 [1,1,0,0,0,0|1,0,0]=3 772 B8R1.5 Cc1c(nccn1)O PB12942 [1,1,0,0,0,0|2,0,0]=4 773 B8R1.5 Cc1cccnc1Br AB05448 [1,1,0,0,0,0|2,0,0]=4 774 B8R1.5 Cc1cccnc1Cl AB05179 [1,1,0,0,0,0|2,0,0]=4 775 B8R1.5 Cc1cccnc1N AB17908 [1,1,0,0,0,0|2,0,0]=4 776 B8R1.5 Cc1cccnc1O AB03538 [1,1,0,0,0,0|1,0,0]=3 777 B8R1.5 Cc1ccncc1Br AB03104 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.5 Cc1ccncc1Cl AB18019 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.5 Cc1ccncc1F AB18002 [1,1,0,0,0,0|2,0,0]=4 780 B8R1.5 Cc1ccncc1N PB14127 [1,1,0,0,0,0|2,0,0]=4 781 B8R1.5 Cc1ccncc1O PB23391 [1,1,0,0,0,0|1,0,0]=3 782 B8R1.5 Cc1cnccc1Br AB20846 [1,1,0,0,0,0|2,0,0]=4 783 B8R1.5 Cc1cnccc1Br PB23248 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.5 Cc1cnccc1Cl AB11511 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.5 Cc1cnccc1F AB18013 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.5 Cc1cnccc1N PB17234 [1,1,0,0,0,0|2,0,0]=4 787 B8R1.5 Cc1cncnc1O AB09558 [1,1,0,0,0,0|2,0,0]=4 788 B8R1.5 c1c(c(ncn1)O)Br PB32183 [1,1,0,0,0,0|2,0,0]=4 789 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [1,1,0,0,0,0|2,0,0]=4 790 B8R1.5 c1c(c(ncn1)O)I PB34035 [1,1,0,0,0,0|2,0,0]=4 791 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,1,0,0,0,0|2,0,0]=4 793 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,1,0,0,0,0|2,0,0]=4 794 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,1,0,0,0,0|2,0,0]=4 795 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,1,0,0,0,0|2,0,0]=4 796 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,1,0,0,0,0|2,0,0]=4 797 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,1,0,0,0,0|1,0,0]=3 798 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,1,0,0,0,0|2,0,0]=4 799 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,1,0,0,0,0|2,0,0]=4 800 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,1,0,0,0,0|2,0,0]=4 801 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,1,0,0,0,0|2,0,0]=4 802 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,1,0,0,0,0|2,0,0]=4 803 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,1,0,0,0,0|1,0,0]=3 804 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,1,0,0,0,0|2,0,0]=4 805 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,1,0,0,0,0|2,0,0]=4 806 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,1,0,0,0,0|2,0,0]=4 807 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,1,0,0,0,0|2,0,0]=4 808 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,1,0,0,0,0|2,0,0]=4 809 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,1,0,0,0,0|1,0,0]=3 810 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,1,0,0,0,0|2,0,0]=4 811 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,1,0,0,0,0|2,0,0]=4 812 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,1,0,0,0,0|2,0,0]=4 813 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,1,0,0,0,0|2,0,0]=4 814 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,1,0,0,0,0|1,0,0]=3 815 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,1,0,0,0,0|1,0,0]=3 816 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,1,0,0,0,0|1,1,0]=4 817 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,1,0,0,0,0|1,0,0]=3 818 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,1,0,0,0,0|1,0,0]=3 819 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,1,0,0,0,0|1,0,0]=3 820 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,1,0,0,0,0|1,0,0]=3 821 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [1,1,0,0,0,0|1,0,1]=4 822 B8R1.5 c1cncc(c1Br)Br AB05087 [1,1,0,0,0,0|2,0,0]=4 823 B8R1.5 c1cncc(c1Br)Cl AB17643 [1,1,0,0,0,0|2,0,0]=4 824 B8R1.5 c1cncc(c1Br)F PB23387 [1,1,0,0,0,0|2,0,0]=4 825 B8R1.5 c1cncc(c1Br)N AB17638 [1,1,0,0,0,0|2,0,0]=4 826 B8R1.5 c1cncc(c1Br)O AB13187 [1,1,0,0,0,0|1,0,0]=3 827 B8R1.5 c1cncc(c1Cl)Br AB05074 [1,1,0,0,0,0|2,0,0]=4 828 B8R1.5 c1cncc(c1Cl)Cl AB10192 [1,1,0,0,0,0|2,0,0]=4 829 B8R1.5 c1cncc(c1Cl)F AB15511 [1,1,0,0,0,0|2,0,0]=4 830 B8R1.5 c1cncc(c1Cl)I AB05089 [1,1,0,0,0,0|2,0,0]=4 831 B8R1.5 c1cncc(c1Cl)N AB05299 [1,1,0,0,0,0|2,0,0]=4 832 B8R1.5 c1cncc(c1Cl)O AB12281 [1,1,0,0,0,0|1,0,0]=3 833 B8R1.5 c1cncc(c1F)Br AB17892 [1,1,0,0,0,0|2,0,0]=4 834 B8R1.5 c1cncc(c1F)Cl AB21349 [1,1,0,0,0,0|2,0,0]=4 835 B8R1.5 c1cncc(c1F)F AB18023 [1,1,0,0,0,0|2,0,0]=4 836 B8R1.5 c1cncc(c1F)N AB50028 [1,1,0,0,0,0|2,0,0]=4 837 B8R1.5 c1cncc(c1F)O AB64515 [1,1,0,0,0,0|1,0,0]=3 838 B8R1.5 c1cncc(c1I)F PB21191 [1,1,0,0,0,0|2,0,0]=4 839 B8R1.5 c1cncc(c1I)N PB23406 [1,1,0,0,0,0|2,0,0]=4 840 B8R1.5 c1cncc(c1I)O MB06807 [1,1,0,0,0,0|1,0,0]=3 841 B8R1.5 c1cncc(c1N)Br AB28611 [1,1,0,0,0,0|2,0,0]=4 842 B8R1.5 c1cncc(c1N)Cl AB16891 [1,1,0,0,0,0|2,0,0]=4 843 B8R1.5 c1cncc(c1N)F PB33879 [1,1,0,0,0,0|2,0,0]=4 844 B8R1.5 c1cncc(c1N)I AB12095 [1,1,0,0,0,0|2,0,0]=4 845 B8R1.5 c1cncc(c1O)Br AB09574 [1,1,0,0,0,0|1,0,0]=3 846 B8R1.5 c1cncc(c1O)F AB18011 [1,1,0,0,0,0|1,0,0]=3 847 B8R1.5 c1cnnc(c1Br)O AB77052 [1,1,0,0,0,0|2,0,0]=4 848 B8R1.1 Cn1ccc(c1)CO AB09760 [0,1,0,0,1,0|2,0,0]=4 849 B8R1.1 c1c(csc1CO)Br PB12803 [0,1,0,0,1,0|2,0,0]=4 850 B8R1.1 c1c(csc1CO)Cl PB24317 [0,1,0,0,1,0|2,0,0]=4 851 B8R1.1 c1c(csc1Cl)CO PB13604 [0,1,0,0,1,0|2,0,0]=4 852 B8R1.1 c1cc(sc1CO)Br PB23435 [0,1,0,0,1,0|2,0,0]=4 853 B8R1.1 c1cc(sc1CO)Cl PB23436 [0,1,0,0,1,0|2,0,0]=4 854 B8R1.1 c1cc(sc1CO)F PB31763 [0,1,0,0,1,0|2,0,0]=4 855 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [0,2,0,0,0,0|2,0,0]=4 856 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [0,2,0,0,0,0|2,0,0]=4 857 B10R1.1 C#CCc1ccc(cc1)F AB61384 [0,2,0,0,0,0|2,0,0]=4 858 B10R1.1 C#CCc1ccc(cc1)I AB73225 [0,2,0,0,0,0|2,0,0]=4 859 B10R1.1 CCOc1ccc(cn1)Br AB05210 [0,2,0,0,0,0|2,0,0]=4 860 B10R1.1 CCOc1ccc(cn1)N AB09602 [0,2,0,0,0,0|2,0,0]=4 861 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,2,0,0,0,0|1,0,1]=4 862 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [0,2,0,0,0,0|2,0,0]=4 863 B10R1.1 Cc1ccc(nc1)\C=N\O AB72002 [0,2,0,0,0,0|2,0,0]=4 864 B10R1.1 c1cc(ccc1CC#N)F AB00175 [0,2,0,0,0,0|2,0,0]=4 865 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,2,0,0,0,0|1,0,1]=4 866 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,2,0,0,0,0|1,0,1]=4 867 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,2,0,0,0,0|1,0,1]=4 868 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,2,0,0,0,0|1,0,1]=4 869 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,2,0,0,0,0|2,0,0]=4 871 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,2,0,0,0,0|2,0,0]=4 872 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,2,0,0,0,0|2,0,0]=4 873 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,2,0,0,0,0|2,0,0]=4 874 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,2,0,0,0,0|1,0,0]=3 875 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.1 c1cc(ccc1N=[N+]=[N-])Br AB50568 [0,2,0,0,0,0|2,0,0]=4 879 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [0,2,0,0,0,0|2,0,0]=4 880 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [0,2,0,0,0,0|2,0,0]=4 882 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [0,2,0,0,0,0|1,0,0]=3 883 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [0,2,0,0,0,0|1,0,1]=4 886 B10R1.3 CCc1ccc(cc1)NN AB10141 [0,2,0,0,0,0|2,0,0]=4 887 B10R1.3 CNc1ccc(nc1)OC AB60608 [0,2,0,0,0,0|2,0,0]=4 888 B10R1.3 COc1ccc(cc1)C#N AB00162 [0,2,0,0,0,0|1,0,0]=3 889 B10R1.3 COc1ccc(cc1)NN AB11940 [0,2,0,0,0,0|1,0,0]=3 890 B10R1.3 COc1ccc(cn1)C#C PB23831 [0,2,0,0,0,0|2,0,0]=4 891 B10R1.3 COc1ccc(cn1)C#N AB03173 [0,2,0,0,0,0|2,0,0]=4 892 B10R1.3 COc1ccc(cn1)CCl AB59942 [0,2,0,0,0,0|2,0,0]=4 893 B10R1.3 COc1ccc(cn1)CCl AB59945 [0,2,0,0,0,0|2,0,0]=4 894 B10R1.3 COc1ccc(cn1)CN PB34107 [0,2,0,0,0,0|2,0,0]=4 895 B10R1.3 COc1ccc(cn1)CO PB17339 [0,2,0,0,0,0|1,0,0]=3 896 B10R1.3 COc1ccc(cn1)NN AB50207 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.3 COc1ccc(nc1)C#C AB68974 [0,2,0,0,0,0|2,0,0]=4 898 B10R1.3 COc1ccc(nc1)C#N PB32629 [0,2,0,0,0,0|2,0,0]=4 899 B10R1.3 COc1ccc(nc1)C=O PB17495 [0,2,0,0,0,0|1,0,1]=4 900 B10R1.3 COc1ccc(nc1)CCl AB59864 [0,2,0,0,0,0|2,0,0]=4 901 B10R1.3 COc1ccc(nc1)CCl PB31547 [0,2,0,0,0,0|2,0,0]=4 902 B10R1.3 COc1ccc(nc1)CN AB59858 [0,2,0,0,0,0|2,0,0]=4 903 B10R1.3 COc1ccc(nc1)CO PB32580 [0,2,0,0,0,0|1,0,0]=3 904 B10R1.3 CSc1ccc(cc1)CCl AB05549 [0,2,0,0,0,0|1,1,0]=4 905 B10R1.3 CSc1ccc(cc1)CO AB00982 [0,2,0,0,0,0|0,1,0]=3 906 B10R1.3 c1cc(ccc1C#N)NN AB06913 [0,2,0,0,0,0|2,0,0]=4 907 B10R1.3 c1cc(ccc1CN)CO AB23442 [0,2,0,0,0,0|1,0,0]=3 908 B10R1.3 c1cc(ncc1CO)C#N AB49273 [0,2,0,0,0,0|2,0,0]=4 909 B10R1.3 c1cc(ncc1CO)CN AB63417 [0,2,0,0,0,0|2,0,0]=4 910 B10R1.3 c1cc(ncc1CO)CO AB14995 [0,2,0,0,0,0|1,0,0]=3 911 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [0,2,0,0,0,0|1,0,0]=3 912 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [0,2,0,0,0,0|1,0,0]=3 913 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [0,2,0,0,0,0|1,0,0]=3 914 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [0,2,0,0,0,0|1,0,0]=3 915 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [0,2,0,0,0,0|1,0,0]=3 916 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [0,2,0,0,0,0|1,0,0]=3 917 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [0,2,0,0,0,0|0,0,0]=2 918 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [0,2,0,0,0,0|0,1,0]=3 919 B10R1.13 B(c1ccc(cn1)Br)(O)O AB48603 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.13 B(c1ccc(cn1)C)(O)O AB06946 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.13 B(c1ccc(cn1)Cl)(O)O AB32111 [0,2,0,0,0,0|2,0,0]=4 922 B10R1.13 B(c1ccc(cn1)F)(O)O AB48605 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.13 B(c1ccc(cn1)N)(O)O AB43322 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.13 B(c1ccc(nc1)Br)(O)O AB14131 [0,2,0,0,0,0|2,0,0]=4 925 B10R1.13 B(c1ccc(nc1)C)(O)O AB30208 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.13 B(c1ccc(nc1)Cl)(O)O AB13412 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.13 B(c1ccc(nc1)F)(O)O AB14135 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.13 B(c1ccc(nc1)N)(O)O PB31438 [0,2,0,0,0,0|2,0,0]=4 929 B10R1.13 B(c1ccc(nc1)O)(O)O AB54706 [0,2,0,0,0,0|1,0,0]=3 930 B10R1.13 B(c1cnc(cn1)O)(O)O AB54215 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,2,0,0,0,0|1,0,0]=3 932 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,2,0,0,0,0|1,0,1]=4 933 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,2,0,0,0,0|1,0,1]=4 934 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [0,2,0,0,0,0|2,0,0]=4 935 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,2,0,0,0,0|1,0,0]=3 936 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,2,0,0,0,0|1,0,0]=3 937 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,2,0,0,0,0|2,0,0]=4 939 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,2,0,0,0,0|1,1,0]=4 940 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,2,0,0,0,0|2,0,0]=4 941 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,2,0,0,0,0|2,0,0]=4 942 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [0,2,0,0,0,0|2,0,0]=4 943 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,2,0,0,0,0|2,0,0]=4 944 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,2,0,0,0,0|2,0,0]=4 945 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,2,0,0,0,0|2,0,0]=4 946 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,2,0,0,0,0|2,0,0]=4 948 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,2,0,0,0,0|1,0,0]=3 950 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,2,0,0,0,0|1,1,0]=4 951 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,2,0,0,0,0|1,1,0]=4 952 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,2,0,0,0,0|1,1,0]=4 953 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,2,0,0,0,0|1,1,0]=4 954 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,2,0,0,0,0|0,1,0]=3 955 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,2,0,0,0,0|2,0,0]=4 956 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,2,0,0,0,0|2,0,0]=4 957 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,2,0,0,0,0|2,0,0]=4 958 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,2,0,0,0,0|2,0,0]=4 959 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,2,0,0,0,0|2,0,0]=4 960 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,2,0,0,0,0|1,0,0]=3 962 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,2,0,0,0,0|2,0,0]=4 963 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,2,0,0,0,0|2,0,0]=4 964 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,2,0,0,0,0|2,0,0]=4 965 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,2,0,0,0,0|1,0,1]=4 966 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,2,0,0,0,0|1,0,0]=3 967 B10R1.13 c1cc(ncc1O)C(F)F AB74785 [0,2,0,0,0,0|2,0,0]=4 968 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [0,2,0,0,0,0|2,0,0]=4 969 B10R1.25 CCc1ccc(cc1Br)O MB23966 [0,2,0,0,0,0|1,0,0]=3 970 B10R1.25 CCc1ccc(cc1C)O MB23913 [0,2,0,0,0,0|1,0,0]=3 971 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [0,2,0,0,0,0|1,0,0]=3 972 B10R1.25 CCc1ccc(cc1F)O MB14963 [0,2,0,0,0,0|1,0,0]=3 973 B10R1.25 CCc1ccc(cc1I)O MB23946 [0,2,0,0,0,0|1,0,0]=3 974 B10R1.25 CCc1ccc(cc1N)O MB23949 [0,2,0,0,0,0|1,0,0]=3 975 B10R1.25 CCc1ccc(cc1O)Br MB23992 [0,2,0,0,0,0|2,0,0]=4 976 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.25 CCc1ccc(cc1O)F MB23841 [0,2,0,0,0,0|2,0,0]=4 978 B10R1.25 CCc1ccc(cc1O)I MB23846 [0,2,0,0,0,0|2,0,0]=4 979 B10R1.25 CCc1ccc(cc1O)N MB23852 [0,2,0,0,0,0|2,0,0]=4 980 B10R1.25 CNc1ccc(cc1F)O MB31256 [0,2,0,0,0,0|1,0,0]=3 981 B10R1.25 CNc1ccc(cc1I)O MB37121 [0,2,0,0,0,0|1,0,0]=3 982 B10R1.25 CNc1ccc(cc1N)O MB30558 [0,2,0,0,0,0|1,0,0]=3 983 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [0,2,0,0,0,0|2,0,0]=4 984 B10R1.25 CNc1ccc(cc1O)N MB33015 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.25 COc1c(cc(cn1)Br)Cl AB20950 [0,2,0,0,0,0|2,0,0]=4 986 B10R1.25 COc1c(cc(cn1)Br)F AB17621 [0,2,0,0,0,0|2,0,0]=4 987 B10R1.25 COc1c(cc(cn1)Br)I AB21850 [0,2,0,0,0,0|2,0,0]=4 988 B10R1.25 COc1c(cc(cn1)Br)N PB15873 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [0,2,0,0,0,0|2,0,0]=4 990 B10R1.25 COc1c(cc(cn1)Cl)Br AB43095 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.25 COc1c(cc(cn1)Cl)F AB41066 [0,2,0,0,0,0|2,0,0]=4 992 B10R1.25 COc1c(cc(cn1)Cl)N AB41036 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.25 COc1c(cc(cn1)F)N AB75363 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.25 COc1c(cc(cn1)N)Cl AB70284 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.25 COc1c(cc(cn1)N)F AB40818 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [0,2,0,0,0,0|1,0,0]=3 997 B10R1.25 COc1c(cc(cn1)O)F AB70291 [0,2,0,0,0,0|1,0,0]=3 998 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [0,2,0,0,0,0|1,0,0]=3 999 B10R1.25 COc1ccc(cc1Cl)O MB13556 [0,2,0,0,0,0|0,0,0]=2 1000 B10R1.25 COc1ccc(cc1F)Br AB01075 [0,2,0,0,0,0|1,0,0]=3 1001 B10R1.25 COc1ccc(cc1I)O MB26647 [0,2,0,0,0,0|0,0,0]=2 1002 B10R1.25 COc1ccc(cc1N)O MB34521 [0,2,0,0,0,0|0,0,0]=2 1003 B10R1.25 COc1ccc(cc1O)Cl MB09234 [0,2,0,0,0,0|1,0,0]=3 1004 B10R1.25 COc1ccc(cc1O)I MB38179 [0,2,0,0,0,0|1,0,0]=3 1005 B10R1.25 COc1ccc(nc1Br)N AB26774 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.25 COc1ccc(nc1Cl)N AB40624 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.25 COc1cnc(cc1Cl)N PB15356 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.25 COc1cnc(cc1O)Cl AB69306 [0,2,0,0,0,0|2,0,0]=4 1009 B10R1.25 CSc1ccc(cc1Br)O MB25524 [0,2,0,0,0,0|0,1,0]=3 1010 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [0,2,0,0,0,0|0,1,0]=3 1011 B10R1.25 CSc1ccc(cc1F)O MB25544 [0,2,0,0,0,0|0,1,0]=3 1012 B10R1.25 CSc1ccc(cc1N)O MB34593 [0,2,0,0,0,0|0,1,0]=3 1013 B10R1.25 CSc1ccc(cc1O)Br MB35434 [0,2,0,0,0,0|1,1,0]=4 1014 B10R1.25 CSc1ccc(cc1O)F MB25440 [0,2,0,0,0,0|1,1,0]=4 1015 B10R1.25 CSc1ccc(cc1O)I MB29501 [0,2,0,0,0,0|1,1,0]=4 1016 B10R1.25 CSc1ccc(cc1O)N MB36502 [0,2,0,0,0,0|1,1,0]=4 1017 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [0,2,0,0,0,0|2,0,0]=4 1018 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [0,2,0,0,0,0|2,0,0]=4 1019 B10R1.25 Cc1c(ccc(n1)O)C#N AB55004 [0,2,0,0,0,0|2,0,0]=4 1020 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [0,2,0,0,0,0|1,0,0]=3 1021 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [0,2,0,0,0,0|2,0,0]=4 1022 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [0,2,0,0,0,0|2,0,0]=4 1023 B10R1.25 Cc1cc(ccc1C#N)Cl MB00421 [0,2,0,0,0,0|2,0,0]=4 1024 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [0,2,0,0,0,0|1,0,0]=3 1025 B10R1.25 Cc1cc(ccc1NC)O MB05083 [0,2,0,0,0,0|1,0,0]=3 1026 B10R1.25 Cc1cc(ccc1OC)O MB07842 [0,2,0,0,0,0|0,0,0]=2 1027 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.25 Cc1cc(cnc1OC)N AB20996 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [0,2,0,0,0,0|2,0,0]=4 1031 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [0,2,0,0,0,0|1,0,1]=4 1033 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [0,2,0,0,0,0|2,0,0]=4 1034 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [0,2,0,0,0,0|2,0,0]=4 1035 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,2,0,0,0,0|1,1,0]=4 1037 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [0,2,0,0,0,0|1,0,1]=4 1039 B10R1.25 c1c(cnc(c1F)CO)Br PB34795 [0,2,0,0,0,0|2,0,0]=4 1040 B10R1.25 c1c(cnc(c1N)CO)Br PB37232 [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.25 c1cc(c(cc1Br)Br)C#N AB66754 [0,2,0,0,0,0|2,0,0]=4 1042 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [0,2,0,0,0,0|1,0,1]=4 1043 B10R1.25 c1cc(c(cc1Br)F)C#N AB03862 [0,2,0,0,0,0|2,0,0]=4 1044 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [0,2,0,0,0,0|1,0,1]=4 1045 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [0,2,0,0,0,0|1,0,0]=3 1046 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [0,2,0,0,0,0|1,0,1]=4 1047 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [0,2,0,0,0,0|2,0,0]=4 1048 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [0,2,0,0,0,0|1,0,1]=4 1049 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [0,2,0,0,0,0|1,0,0]=3 1050 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [0,2,0,0,0,0|1,0,1]=4 1051 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [0,2,0,0,0,0|2,0,0]=4 1052 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [0,2,0,0,0,0|1,0,1]=4 1053 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [0,2,0,0,0,0|2,0,0]=4 1054 B10R1.25 c1cc(c(cc1F)Br)C#N AB06855 [0,2,0,0,0,0|2,0,0]=4 1055 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [0,2,0,0,0,0|1,0,1]=4 1056 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [0,2,0,0,0,0|1,0,0]=3 1057 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [0,2,0,0,0,0|1,0,1]=4 1058 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [0,2,0,0,0,0|2,0,0]=4 1059 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [0,2,0,0,0,0|2,0,0]=4 1060 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [0,2,0,0,0,0|2,0,0]=4 1062 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [0,2,0,0,0,0|1,0,1]=4 1063 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [0,2,0,0,0,0|2,0,0]=4 1064 B10R1.25 c1cc(c(cc1N)F)C#N AB32067 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [0,2,0,0,0,0|2,0,0]=4 1067 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [0,2,0,0,0,0|2,0,0]=4 1068 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [0,2,0,0,0,0|1,0,1]=4 1069 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [0,2,0,0,0,0|2,0,0]=4 1070 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [0,2,0,0,0,0|1,0,0]=3 1071 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [0,2,0,0,0,0|0,0,1]=3 1072 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [0,2,0,0,0,0|1,0,0]=3 1073 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [0,2,0,0,0,0|1,0,0]=3 1074 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [0,2,0,0,0,0|1,0,0]=3 1075 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [0,2,0,0,0,0|1,0,0]=3 1076 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [0,2,0,0,0,0|0,0,1]=3 1077 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [0,2,0,0,0,0|1,0,0]=3 1078 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [0,2,0,0,0,0|0,0,1]=3 1079 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [0,2,0,0,0,0|1,0,0]=3 1080 B10R1.25 c1cc(nc(c1CO)Cl)Cl PB32897 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [0,2,0,0,0,0|1,0,0]=3 1082 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [0,2,0,0,0,0|1,0,0]=3 1083 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [0,2,0,0,0,0|1,0,0]=3 1084 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [0,2,0,0,0,0|1,0,0]=3 1085 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [0,2,0,0,0,0|1,0,0]=3 1086 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [0,2,0,0,0,0|2,0,0]=4 1089 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [0,2,0,0,0,0|1,0,0]=3 1092 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [0,2,0,0,0,0|1,0,0]=3 1093 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [0,2,0,0,0,0|1,0,0]=3 1094 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [0,2,0,0,0,0|1,0,0]=3 1095 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [0,2,0,0,0,0|1,0,0]=3 1096 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [0,2,0,0,0,0|2,0,0]=4 1099 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [0,2,0,0,0,0|2,0,0]=4 1101 B10R1.176 COc1cc(c(cn1)Br)N PB16472 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.176 COc1cc(c(cn1)Cl)I AB71228 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.176 COc1cc(c(cn1)Cl)N AB68191 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.176 COc1cc(c(cn1)Cl)O AB69300 [0,2,0,0,0,0|2,0,0]=4 1105 B10R1.176 COc1cc(c(cn1)F)N AB70895 [0,2,0,0,0,0|2,0,0]=4 1106 B10R1.176 COc1cc(c(cn1)F)O AB69312 [0,2,0,0,0,0|2,0,0]=4 1107 B10R1.176 COc1cc(c(cn1)N)Cl AB75726 [0,2,0,0,0,0|2,0,0]=4 1108 B10R1.176 COc1cc(c(cn1)N)N AB51235 [0,2,0,0,0,0|2,0,0]=4 1109 B10R1.176 COc1cc(c(cn1)O)Cl AB70292 [0,2,0,0,0,0|1,0,0]=3 1110 B10R1.176 COc1cc(c(nc1)Cl)N AB62900 [0,2,0,0,0,0|2,0,0]=4 1111 B10R1.176 COc1cc(c(nc1)Cl)O AB71170 [0,2,0,0,0,0|2,0,0]=4 1112 B10R1.176 COc1cc(c(nc1)N)Cl AB70867 [0,2,0,0,0,0|2,0,0]=4 1113 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [0,2,0,0,0,0|1,0,0]=3 1114 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [0,2,0,0,0,0|1,0,0]=3 1115 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [0,2,0,0,0,0|1,0,0]=3 1116 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [0,2,0,0,0,0|0,0,0]=2 1117 B10R1.176 COc1ccc(c(c1)F)N AB09440 [0,2,0,0,0,0|1,0,0]=3 1118 B10R1.176 COc1ccc(c(c1)I)N AB42374 [0,2,0,0,0,0|1,0,0]=3 1119 B10R1.176 COc1ccc(c(c1)I)O MB07821 [0,2,0,0,0,0|0,0,0]=2 1120 B10R1.176 COc1ccc(c(c1)N)I AB45640 [0,2,0,0,0,0|1,0,0]=3 1121 B10R1.176 COc1ccc(c(c1)N)N AB02069 [0,2,0,0,0,0|1,0,0]=3 1122 B10R1.176 COc1ccc(c(c1)N)O AB25358 [0,2,0,0,0,0|0,0,0]=2 1123 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [0,2,0,0,0,0|1,0,0]=3 1124 B10R1.176 COc1ccc(c(c1)O)F MB25573 [0,2,0,0,0,0|1,0,0]=3 1125 B10R1.176 COc1ccc(c(c1)O)I MB12203 [0,2,0,0,0,0|1,0,0]=3 1126 B10R1.176 COc1ccc(c(n1)Br)N AB21737 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.176 COc1ccc(c(n1)Cl)N AB49773 [0,2,0,0,0,0|2,0,0]=4 1128 B10R1.176 COc1ccc(c(n1)Cl)O AB69288 [0,2,0,0,0,0|1,0,0]=3 1129 B10R1.176 COc1ccc(c(n1)N)Br AB43426 [0,2,0,0,0,0|2,0,0]=4 1130 B10R1.176 COc1ccc(c(n1)N)Cl AB62898 [0,2,0,0,0,0|2,0,0]=4 1131 B10R1.176 COc1ccc(c(n1)N)N AB25773 [0,2,0,0,0,0|2,0,0]=4 1132 B10R1.176 COc1ccc(c(n1)O)Cl AB75736 [0,2,0,0,0,0|2,0,0]=4 1133 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [0,2,0,0,0,0|0,1,0]=3 1134 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [0,2,0,0,0,0|0,1,0]=3 1135 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [0,2,0,0,0,0|0,1,0]=3 1136 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [0,2,0,0,0,0|0,1,0]=3 1137 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [0,2,0,0,0,0|0,1,0]=3 1138 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [0,2,0,0,0,0|1,1,0]=4 1139 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [0,2,0,0,0,0|1,1,0]=4 1140 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [0,2,0,0,0,0|1,1,0]=4 1141 B10R1.176 Cc1c(cc(cn1)OC)N AB73554 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.176 Cc1c(ccc(n1)OC)Br AB13393 [0,2,0,0,0,0|2,0,0]=4 1143 B10R1.176 Cc1cc(ccc1Br)C#N AB01529 [0,2,0,0,0,0|2,0,0]=4 1144 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [0,2,0,0,0,0|1,0,1]=4 1145 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [0,2,0,0,0,0|1,0,0]=3 1146 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [0,2,0,0,0,0|2,0,0]=4 1147 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [0,2,0,0,0,0|1,0,1]=4 1148 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [0,2,0,0,0,0|1,0,0]=3 1150 B10R1.176 Cc1cc(ccc1O)CN MB05062 [0,2,0,0,0,0|1,0,0]=3 1151 B10R1.176 Cc1cc(ccc1O)NC MB07546 [0,2,0,0,0,0|1,0,0]=3 1152 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.176 Cc1cc(cnc1C)OC AB85300 [0,2,0,0,0,0|2,0,0]=4 1154 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.176 Cc1cc(cnc1N)OC AB73557 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.176 Cc1cc(ncc1Br)OC AB17469 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.176 Cc1cc(ncc1N)OC AB44888 [0,2,0,0,0,0|2,0,0]=4 1158 B10R1.176 Cc1ccc(cc1Br)C#N AB29736 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [0,2,0,0,0,0|2,0,0]=4 1160 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [0,2,0,0,0,0|1,0,1]=4 1161 B10R1.176 Cc1ccc(cc1O)NC MB25401 [0,2,0,0,0,0|2,0,0]=4 1162 B10R1.176 Cc1ccc(cc1O)OC MB11905 [0,2,0,0,0,0|1,0,0]=3 1163 B10R1.176 Cc1ccc(cc1O)SC MB25438 [0,2,0,0,0,0|1,1,0]=4 1164 B10R1.176 Cc1ccc(nc1N)OC AB73563 [0,2,0,0,0,0|2,0,0]=4 1165 B10R1.176 Cc1cnc(cc1N)OC AB73589 [0,2,0,0,0,0|2,0,0]=4 1166 B10R1.176 Cn1cc(ccc1=O)CO PB22835 [0,2,0,0,0,0|1,0,1]=4 1167 B10R1.176 Cn1ccc(cc1=O)CO PB18199 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [0,2,0,0,0,0|1,0,1]=4 1169 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.176 c1c(ncc(c1Cl)F)CO PB22370 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [0,2,0,0,0,0|1,0,1]=4 1173 B10R1.176 c1c(ncc(c1Cl)O)CCl AB84011 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [0,2,0,0,0,0|2,0,0]=4 1175 B10R1.176 c1cc(c(cc1C#N)F)N AB02282 [0,2,0,0,0,0|2,0,0]=4 1176 B10R1.176 c1cc(c(cc1C#N)I)N AB17464 [0,2,0,0,0,0|2,0,0]=4 1177 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [0,2,0,0,0,0|1,0,0]=3 1178 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [0,2,0,0,0,0|2,0,0]=4 1179 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [0,2,0,0,0,0|1,0,1]=4 1183 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [0,2,0,0,0,0|1,0,1]=4 1184 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [0,2,0,0,0,0|0,0,1]=3 1185 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [0,2,0,0,0,0|0,0,1]=3 1186 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [0,2,0,0,0,0|1,0,1]=4 1187 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [0,2,0,0,0,0|1,0,1]=4 1188 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [0,2,0,0,0,0|1,0,1]=4 1189 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [0,2,0,0,0,0|1,0,1]=4 1190 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [0,2,0,0,0,0|1,0,0]=3 1192 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [0,2,0,0,0,0|1,0,0]=3 1193 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [0,2,0,0,0,0|1,0,0]=3 1195 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [0,2,0,0,0,0|1,0,0]=3 1196 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [0,2,0,0,0,0|1,0,0]=3 1197 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [0,2,0,0,0,0|2,0,0]=4 1199 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [0,2,0,0,0,0|2,0,0]=4 1200 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [0,2,0,0,0,0|2,0,0]=4 1202 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [0,2,0,0,0,0|1,0,0]=3 1203 B10R1.176 c1cc(c(cc1NN)F)F AB13306 [0,2,0,0,0,0|2,0,0]=4 1204 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [0,2,0,0,0,0|1,0,1]=4 1205 B10R1.176 c1cc(c(nc1CCl)Cl)O AB76573 [0,2,0,0,0,0|2,0,0]=4 1206 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [0,2,0,0,0,0|2,0,0]=4 1207 B10R1.22 Cc1cc(nc(c1C)C)O AB82587 [0,2,0,0,0,0|2,0,0]=4 1208 B10R1.22 Cc1cc(nc(c1C)O)O AB21779 [0,2,0,0,0,0|2,0,0]=4 1209 B10R1.22 c1c(cc(c(c1Br)Br)Br)N AB11948 [0,2,0,0,0,0|2,0,0]=4 1210 B10R1.22 c1c(cc(c(c1Br)Br)Br)S AB65762 [0,2,0,0,0,0|1,1,0]=4 1211 B10R1.22 c1c(cc(c(c1Cl)Br)Cl)F CB11555 [0,2,0,0,0,0|2,0,0]=4 1212 B10R1.22 c1c(cc(c(c1F)F)Cl)Br AB64596 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.22 c1c(cc(c(c1F)N)F)Br MB00220 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.30 CCc1cc(ccc1Br)O MB23770 [0,2,0,0,0,0|1,0,0]=3 1215 B10R1.30 CCc1cc(ccc1C)O MB23722 [0,2,0,0,0,0|1,0,0]=3 1216 B10R1.30 CCc1cc(ccc1F)O MB23754 [0,2,0,0,0,0|1,0,0]=3 1217 B10R1.30 CCc1cc(ccc1I)O MB09270 [0,2,0,0,0,0|1,0,0]=3 1218 B10R1.30 CCc1cc(ccc1N)O MB23757 [0,2,0,0,0,0|1,0,0]=3 1219 B10R1.30 CCc1cc(ccc1O)Br MB00480 [0,2,0,0,0,0|1,0,0]=3 1220 B10R1.30 CCc1cc(ccc1O)C MB23622 [0,2,0,0,0,0|1,0,0]=3 1221 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [0,2,0,0,0,0|1,0,0]=3 1222 B10R1.30 CCc1cc(ccc1O)I MB23657 [0,2,0,0,0,0|1,0,0]=3 1223 B10R1.30 CCc1cc(ccc1O)N MB23663 [0,2,0,0,0,0|1,0,0]=3 1224 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [0,2,0,0,0,0|1,0,0]=3 1225 B10R1.30 CNc1cc(ccc1F)O MB28645 [0,2,0,0,0,0|1,0,0]=3 1226 B10R1.30 CNc1cc(ccc1I)O MB33108 [0,2,0,0,0,0|1,0,0]=3 1227 B10R1.30 CNc1cc(ccc1N)O MB33092 [0,2,0,0,0,0|1,0,0]=3 1228 B10R1.30 CNc1cc(ccc1O)Br MB32072 [0,2,0,0,0,0|1,0,0]=3 1229 B10R1.30 CNc1cc(ccc1O)F MB26737 [0,2,0,0,0,0|1,0,0]=3 1230 B10R1.30 CNc1cc(ccc1O)I MB35760 [0,2,0,0,0,0|1,0,0]=3 1231 B10R1.30 CNc1cc(ccc1O)N MB28647 [0,2,0,0,0,0|1,0,0]=3 1232 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.30 COc1cc(ccc1Br)O MB00359 [0,2,0,0,0,0|1,0,0]=3 1234 B10R1.30 COc1cc(ccc1Cl)O MB25434 [0,2,0,0,0,0|1,0,0]=3 1235 B10R1.30 COc1cc(ccc1F)O MB08744 [0,2,0,0,0,0|1,0,0]=3 1236 B10R1.30 COc1cc(ccc1I)Br CB11560 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.30 COc1cc(ccc1I)O MB29625 [0,2,0,0,0,0|1,0,0]=3 1238 B10R1.30 COc1cc(ccc1N)F MB00562 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.30 COc1cc(ccc1N)O MB01122 [0,2,0,0,0,0|1,0,0]=3 1240 B10R1.30 COc1cc(ccc1O)Br PB30583 [0,2,0,0,0,0|1,0,0]=3 1241 B10R1.30 COc1cc(ccc1O)I MB05217 [0,2,0,0,0,0|1,0,0]=3 1242 B10R1.30 CSc1cc(ccc1Br)O MB38334 [0,2,0,0,0,0|1,0,0]=3 1243 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [0,2,0,0,0,0|1,0,0]=3 1244 B10R1.30 CSc1cc(ccc1F)O MB25679 [0,2,0,0,0,0|1,0,0]=3 1245 B10R1.30 CSc1cc(ccc1I)O MB30001 [0,2,0,0,0,0|1,0,0]=3 1246 B10R1.30 CSc1cc(ccc1N)O MB25516 [0,2,0,0,0,0|1,0,0]=3 1247 B10R1.30 CSc1cc(ccc1O)Br MB28713 [0,2,0,0,0,0|1,0,0]=3 1248 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [0,2,0,0,0,0|1,0,0]=3 1249 B10R1.30 CSc1cc(ccc1O)F MB35476 [0,2,0,0,0,0|1,0,0]=3 1250 B10R1.30 CSc1cc(ccc1O)N MB29519 [0,2,0,0,0,0|1,0,0]=3 1251 B10R1.30 Cc1cc(c(cn1)O)C=O AB76792 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.30 Cc1cc(c(nc1)O)C#N AB64064 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.30 Cc1cc(c(nc1)O)C=O AB71365 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [0,2,0,0,0,0|1,0,0]=3 1255 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [0,2,0,0,0,0|1,0,0]=3 1257 B10R1.30 Cc1ccc(c(n1)C=O)O AB62933 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.30 Cc1ccc(cc1C#N)O MB23451 [0,2,0,0,0,0|1,0,0]=3 1259 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [0,2,0,0,0,0|1,0,0]=3 1261 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.30 Cc1ccc(cc1CN)O MB26411 [0,2,0,0,0,0|1,0,0]=3 1263 B10R1.30 Cc1ccc(cc1NC)O MB36159 [0,2,0,0,0,0|1,0,0]=3 1264 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,2,0,0,0,0|1,0,0]=3 1266 B10R1.30 c1c(c(cnc1Br)O)C=O AB69284 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.30 c1c(c(cnc1Cl)O)C=O AB67782 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.30 c1c(c(cnc1N)O)C=O AB84402 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.30 c1c(cnc(c1C#N)Cl)O PB30313 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.30 c1c(cnc(c1C#N)O)Br PB30875 [0,2,0,0,0,0|2,0,0]=4 1271 B10R1.30 c1c(cnc(c1C#N)O)Cl AB63087 [0,2,0,0,0,0|2,0,0]=4 1272 B10R1.30 c1c(cnc(c1C=O)O)Br AB70946 [0,2,0,0,0,0|2,0,0]=4 1273 B10R1.30 c1c(cnc(c1C=O)O)Cl AB70935 [0,2,0,0,0,0|2,0,0]=4 1274 B10R1.30 c1c(cnc(c1C=O)O)N AB84511 [0,2,0,0,0,0|2,0,0]=4 1275 B10R1.30 c1cc(c(cc1Br)C#N)N MB00791 [0,2,0,0,0,0|2,0,0]=4 1276 B10R1.30 c1cc(c(cc1Br)C=O)Br MB01225 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.30 c1cc(c(cc1Br)C=O)N AB58429 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.30 c1cc(c(cc1Br)CN)N AB23393 [0,2,0,0,0,0|2,0,0]=4 1279 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [0,2,0,0,0,0|1,0,0]=3 1280 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.30 c1cc(c(cc1Br)NN)F AB13329 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.30 c1cc(c(cc1Cl)C#N)Br AB45293 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [0,2,0,0,0,0|1,0,0]=3 1285 B10R1.30 c1cc(c(cc1Cl)CN)N AB23303 [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [0,2,0,0,0,0|1,0,0]=3 1287 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [0,2,0,0,0,0|2,0,0]=4 1288 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [0,2,0,0,0,0|1,0,0]=3 1289 B10R1.30 c1cc(c(cc1F)C=O)Br AB03821 [0,2,0,0,0,0|2,0,0]=4 1290 B10R1.30 c1cc(c(cc1F)C=O)N AB58443 [0,2,0,0,0,0|2,0,0]=4 1291 B10R1.30 c1cc(c(cc1F)CN)N AB23426 [0,2,0,0,0,0|2,0,0]=4 1292 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [0,2,0,0,0,0|1,0,0]=3 1293 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [0,2,0,0,0,0|2,0,0]=4 1294 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [0,2,0,0,0,0|1,0,0]=3 1295 B10R1.30 c1cc(c(cc1I)CBr)Cl AB43862 [0,2,0,0,0,0|2,0,0]=4 1296 B10R1.30 c1cc(c(cc1I)CN)Cl AB44524 [0,2,0,0,0,0|2,0,0]=4 1297 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [0,2,0,0,0,0|1,0,0]=3 1298 B10R1.30 c1cc(c(cc1N)C#N)Cl AB07265 [0,2,0,0,0,0|2,0,0]=4 1299 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [0,2,0,0,0,0|1,0,0]=3 1300 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [0,2,0,0,0,0|1,0,0]=3 1301 B10R1.30 c1cc(c(cc1N)CN)F AB23413 [0,2,0,0,0,0|2,0,0]=4 1302 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [0,2,0,0,0,0|1,0,0]=3 1303 B10R1.30 c1cc(c(cc1O)C#N)Br MB05213 [0,2,0,0,0,0|1,0,0]=3 1304 B10R1.30 c1cc(c(cc1O)C#N)Cl MB07522 [0,2,0,0,0,0|1,0,0]=3 1305 B10R1.30 c1cc(c(cc1O)C#N)I MB27967 [0,2,0,0,0,0|1,0,0]=3 1306 B10R1.30 c1cc(c(cc1O)C#N)N MB03902 [0,2,0,0,0,0|1,0,0]=3 1307 B10R1.30 c1cc(c(cc1O)C=O)Br AB13035 [0,2,0,0,0,0|1,0,0]=3 1308 B10R1.30 c1cc(c(cc1O)C=O)Cl MB05036 [0,2,0,0,0,0|1,0,0]=3 1309 B10R1.30 c1cc(c(cc1O)C=O)F MB06891 [0,2,0,0,0,0|1,0,0]=3 1310 B10R1.30 c1cc(c(cc1O)C=O)N MB29975 [0,2,0,0,0,0|1,0,0]=3 1311 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [0,2,0,0,0,0|1,0,0]=3 1312 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [0,2,0,0,0,0|1,0,0]=3 1313 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [0,2,0,0,0,0|1,0,0]=3 1314 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [0,2,0,0,0,0|1,0,0]=3 1315 B10R1.30 c1cc(nc(c1O)C=O)Br AB84561 [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.30 c1cc(nc(c1O)C=O)Cl AB74851 [0,2,0,0,0,0|2,0,0]=4 1317 B10R1.30 c1cc(nc(c1O)C=O)N AB84562 [0,2,0,0,0,0|2,0,0]=4 1318 B10R1.118 Cc1c(nc(c(n1)O)C)O AB44017 [0,2,0,0,0,0|2,0,0]=4 1319 B10R1.118 Cc1cc(c(cc1Cl)Cl)N CB11300 [0,2,0,0,0,0|2,0,0]=4 1320 B10R1.118 Cc1cc(c(cc1N)Cl)Br CB11038 [0,2,0,0,0,0|2,0,0]=4 1321 B10R1.118 c1c(c(cc(c1F)Cl)Cl)N AB16109 [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.118 c1c(c(cc(c1I)Br)I)Br AB03145 [0,2,0,0,0,0|2,0,0]=4 1323 B10R1.119 Cc1c(ccc(c1Cl)Br)N CB10999 [0,2,0,0,0,0|2,0,0]=4 1324 B10R1.119 Cc1c(ccc(c1F)F)Br AB42398 [0,2,0,0,0,0|2,0,0]=4 1325 B10R1.119 Cc1c(cnc(c1Br)O)Br AB23695 [0,2,0,0,0,0|2,0,0]=4 1326 B10R1.119 Cc1ccc(c(c1O)C)O AB24905 [0,2,0,0,0,0|1,0,0]=3 1327 B10R1.119 Cc1ccc(c(c1O)Cl)N AB13339 [0,2,0,0,0,0|2,0,0]=4 1328 B10R1.119 c1cc(c(c(c1Cl)N)Cl)Br PB16810 [0,2,0,0,0,0|2,0,0]=4 1329 B10R1.119 c1cc(c(c(c1N)F)F)Br CB11209 [0,2,0,0,0,0|2,0,0]=4 1330 B10R1.119 c1cc(c(c(c1N)I)F)Cl AB73418 [0,2,0,0,0,0|2,0,0]=4 1331 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,1,0|2,0,0]=4 1332 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,1,0|2,0,0]=4 1333 B6R1.2 c1ccn(c1)N PB33802 [1,0,0,0,1,0|2,0,0]=4 1334 B6R1.2 c1conc1O MB20248 [1,0,0,0,1,0|2,0,0]=4 1335 B6R1.2 c1csc(n1)O AB10887 [1,0,0,0,1,0|2,0,0]=4 1336 B6R1.2 c1cscc1N MB09694 [1,0,0,0,1,0|2,0,0]=4 1337 B6R1.2 c1cscc1N PB23357 [1,0,0,0,1,0|2,0,0]=4