0 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 C1C(=CN=NC1=O)I PB18920 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.4 C1C(=CN=NC1=O)N PB19162 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 C1C=NC(=NC1=O)N PB29007 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 Cc1cc(ccn1)Br AB17599 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.4 Cc1cc(ccn1)Br PB26077 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.4 Cc1cc(ccn1)Cl AB01756 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.4 Cc1cc(ccn1)F AB17919 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.4 Cc1cc(ccn1)O PB24839 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.4 Cc1cc(cnc1)Br AB09597 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 Cc1cc(cnc1)Cl AB17994 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.4 Cc1cc(cnc1)F AB13643 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.4 Cc1cc(cnc1)N AB17573 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.4 Cc1cc(cnc1)O MB01362 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.4 Cc1cc(cnn1)N MB11385 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.4 Cc1cc(ncn1)C PB24534 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.4 Cc1cc(ncn1)Cl PB29204 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.4 Cc1cc(ncn1)N PB12118 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.4 Cc1cc(nnc1)Cl PB14716 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.4 Cc1cc(nnc1)N AB61142 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.4 Cc1cccc(n1)Br AB01812 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.4 Cc1cccc(n1)Cl AB00666 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.4 Cc1cccc(n1)F AB01860 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.4 Cc1cccc(n1)N AB00717 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.4 Cc1cccc(n1)O AB00679 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.4 Cc1cccc(n1)S AB25230 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.4 Cc1ccnc(c1)Br AB03099 [0,0,0,0,0,0|1,0,0]=1 28 B8R1.4 Cc1ccnc(c1)Cl PB10051 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.4 Cc1ccnc(c1)F AB01854 [0,0,0,0,0,0|1,0,0]=1 30 B8R1.4 Cc1ccnc(c1)N AB00703 [0,0,0,0,0,0|1,0,0]=1 31 B8R1.4 Cc1ccnc(c1)O AB03735 [0,0,0,0,0,0|1,0,0]=1 32 B8R1.4 Cc1ccnc(n1)Cl PB14106 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.4 Cc1ccnc(n1)N MB00179 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.4 Cc1cncc(n1)Br AB48617 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.4 Cc1cncc(n1)Cl AB02267 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.4 Cc1cncc(n1)N AB43812 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.4 Cc1cnnc(n1)Cl AB85248 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.4 Cc1nc(cnn1)Cl AB66817 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.4 Cc1nccc(n1)Cl PB30633 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.4 Cc1nccc(n1)N AB06587 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.4 c1c(cncc1Br)Br AB01172 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.4 c1c(cncc1Br)Cl AB18001 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.4 c1c(cncc1Br)N PB12251 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.4 c1c(cncc1Br)O PB30658 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.4 c1c(cncc1Cl)Cl AB00743 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.4 c1c(cncc1Cl)F AB21896 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.4 c1c(cncc1Cl)N AB15758 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.4 c1c(cncc1F)F AB14383 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.4 c1c(cncc1F)N AB05123 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.4 c1c(cncc1F)O AB13569 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.4 c1c(cncc1I)Br AB13102 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.4 c1c(cncc1I)Cl AB43784 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.4 c1c(cncc1I)F AB45557 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.4 c1c(cncc1I)I PB19957 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.4 c1c(cncc1I)N AB43802 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.4 c1c(cncc1N)N AB07746 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.4 c1c(cncc1O)N AB17983 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.4 c1c(cncc1O)O MB02073 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.4 c1c(cnnc1Br)Br AB70143 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.4 c1c(cnnc1Cl)Br AB70142 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.4 c1c(cnnc1Cl)Cl AB61136 [0,0,0,0,0,0|3,0,0]=3 62 B8R1.4 c1c(cnnc1Cl)N PB20792 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.4 c1c(cnnc1N)Cl PB15393 [0,0,0,0,0,0|3,0,0]=3 64 B8R1.4 c1c(cnnc1O)Cl AB61137 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.4 c1c(nc(nn1)Cl)Cl AB65511 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.4 c1c(nc(nn1)Cl)N AB71508 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.4 c1c(ncnc1Br)Br PB17157 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.4 c1c(ncnc1Br)Cl AB48958 [0,0,0,0,0,0|3,0,0]=3 69 B8R1.4 c1c(ncnc1Br)F MB14209 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.4 c1c(ncnc1Br)N MB00979 [0,0,0,0,0,0|3,0,0]=3 71 B8R1.4 c1c(ncnc1Cl)Cl AB00591 [0,0,0,0,0,0|3,0,0]=3 72 B8R1.4 c1c(ncnc1Cl)N PB24577 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.4 c1c(ncnc1Cl)O AB05055 [0,0,0,0,0,0|3,0,0]=3 74 B8R1.4 c1c(ncnc1I)Cl AB66284 [0,0,0,0,0,0|3,0,0]=3 75 B8R1.4 c1c(ncnc1O)N AB02119 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.4 c1cc(c[n+](c1)[O-])Br AB09548 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.4 c1cc(nc(c1)Br)F AB13626 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.4 c1cc(nc(c1)Br)N PB32140 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.4 c1cc(nc(c1)Br)O AB05100 [0,0,0,0,0,0|4,0,0]=4 82 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.4 c1cc(nc(c1)F)N AB17974 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.4 c1cc(nc(c1)I)I AB31088 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.4 c1cc(nc(c1)I)N AB42508 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.4 c1cnc(cc1Br)Br PB10210 [0,0,0,0,0,0|2,0,0]=2 90 B8R1.4 c1cnc(cc1Br)Cl AB16617 [0,0,0,0,0,0|2,0,0]=2 91 B8R1.4 c1cnc(cc1Br)F AB17567 [0,0,0,0,0,0|2,0,0]=2 92 B8R1.4 c1cnc(cc1Br)I AB31627 [0,0,0,0,0,0|2,0,0]=2 93 B8R1.4 c1cnc(cc1Br)N PB12936 [0,0,0,0,0,0|2,0,0]=2 94 B8R1.4 c1cnc(cc1Cl)Br PB23373 [0,0,0,0,0,0|2,0,0]=2 95 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [0,0,0,0,0,0|2,0,0]=2 96 B8R1.4 c1cnc(cc1Cl)F AB17564 [0,0,0,0,0,0|2,0,0]=2 97 B8R1.4 c1cnc(cc1Cl)N PB32361 [0,0,0,0,0,0|2,0,0]=2 98 B8R1.4 c1cnc(cc1Cl)O AB13188 [0,0,0,0,0,0|2,0,0]=2 99 B8R1.4 c1cnc(cc1F)Br AB50032 [0,0,0,0,0,0|2,0,0]=2 100 B8R1.4 c1cnc(cc1F)Cl AB17349 [0,0,0,0,0,0|2,0,0]=2 101 B8R1.4 c1cnc(cc1F)F PB26122 [0,0,0,0,0,0|2,0,0]=2 102 B8R1.4 c1cnc(cc1F)N AB50025 [0,0,0,0,0,0|2,0,0]=2 103 B8R1.4 c1cnc(cc1I)Br PB29229 [0,0,0,0,0,0|2,0,0]=2 104 B8R1.4 c1cnc(cc1I)Cl PB17253 [0,0,0,0,0,0|2,0,0]=2 105 B8R1.4 c1cnc(cc1I)F PB12274 [0,0,0,0,0,0|2,0,0]=2 106 B8R1.4 c1cnc(cc1I)N PB10642 [0,0,0,0,0,0|2,0,0]=2 107 B8R1.4 c1cnc(cc1N)Br PB30686 [0,0,0,0,0,0|2,0,0]=2 108 B8R1.4 c1cnc(cc1N)Cl PB24583 [0,0,0,0,0,0|2,0,0]=2 109 B8R1.4 c1cnc(cc1N)F PB21208 [0,0,0,0,0,0|2,0,0]=2 110 B8R1.4 c1cnc(cc1N)O PB15716 [0,0,0,0,0,0|2,0,0]=2 111 B8R1.4 c1cnc(cc1O)Br AB05095 [0,0,0,0,0,0|2,0,0]=2 112 B8R1.4 c1cnc(cc1O)Cl AB09576 [0,0,0,0,0,0|2,0,0]=2 113 B8R1.4 c1cnc(cc1O)F AB17930 [0,0,0,0,0,0|2,0,0]=2 114 B8R1.4 c1cnc(cc1O)I MB26582 [0,0,0,0,0,0|2,0,0]=2 115 B8R1.4 c1cnc(cc1O)N AB17934 [0,0,0,0,0,0|2,0,0]=2 116 B8R1.4 c1cnc(nc1Br)Br PB17395 [0,0,0,0,0,0|3,0,0]=3 117 B8R1.4 c1cnc(nc1Br)F MB14189 [0,0,0,0,0,0|3,0,0]=3 118 B8R1.4 c1cnc(nc1Br)N PB13233 [0,0,0,0,0,0|3,0,0]=3 119 B8R1.4 c1cnc(nc1Cl)Br MB10108 [0,0,0,0,0,0|3,0,0]=3 120 B8R1.4 c1cnc(nc1Cl)Cl AB00576 [0,0,0,0,0,0|3,0,0]=3 121 B8R1.4 c1cnc(nc1Cl)N PB21638 [0,0,0,0,0,0|3,0,0]=3 122 B8R1.4 c1cnc(nc1Cl)O AB68453 [0,0,0,0,0,0|3,0,0]=3 123 B8R1.4 c1cnc(nc1F)Br MB14089 [0,0,0,0,0,0|3,0,0]=3 124 B8R1.4 c1cnc(nc1N)Br MB09311 [0,0,0,0,0,0|3,0,0]=3 125 B8R1.4 c1cnc(nc1N)Cl PB14147 [0,0,0,0,0,0|3,0,0]=3 126 B8R1.4 c1nc(nc(n1)Cl)Cl PB20114 [0,0,0,0,0,0|4,0,0]=4 127 B7R1.3 Cc1cccnn1 PB33649 [1,0,0,0,0,0|1,0,0]=2 128 B7R1.3 Cc1ccncn1 PB17038 [1,0,0,0,0,0|1,0,0]=2 129 B7R1.3 Cc1ccnnc1 PB24546 [1,0,0,0,0,0|1,0,0]=2 130 B7R1.3 Cc1nccnn1 AB55984 [1,0,0,0,0,0|2,0,0]=3 131 B7R1.3 c1cc(cnc1)Br AB00739 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.3 c1cc(cnc1)I AB01382 [1,0,0,0,0,0|3,0,0]=4 133 B7R1.3 c1cc(cnc1)[O-] MB00567 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.3 c1cc(nnc1)Br MB08580 [1,0,0,0,0,0|2,0,0]=3 135 B7R1.3 c1cc(nnc1)Cl AB30021 [1,0,0,0,0,0|2,0,0]=3 136 B7R1.3 c1cc(nnc1)Cl PB34726 [1,0,0,0,0,0|2,0,0]=3 137 B7R1.3 c1cc(nnc1)N PB17217 [1,0,0,0,0,0|2,0,0]=3 138 B7R1.3 c1cc(nnc1)O PB32258 [1,0,0,0,0,0|2,0,0]=3 139 B7R1.3 c1ccnc(c1)Br AB00627 [1,0,0,0,0,0|1,0,0]=2 140 B7R1.3 c1cnc(cn1)Br MB06072 [1,0,0,0,0,0|2,0,0]=3 141 B7R1.3 c1cnc(cn1)I AB08841 [1,0,0,0,0,0|2,0,0]=3 142 B7R1.3 c1cnc(cn1)N PB30528 [1,0,0,0,0,0|2,0,0]=3 143 B7R1.3 c1cnc(cn1)O AB05056 [1,0,0,0,0,0|2,0,0]=3 144 B7R1.3 c1cnc(nc1)Cl AB00572 [1,0,0,0,0,0|2,0,0]=3 145 B7R1.3 c1cnc(nc1)N MB00175 [1,0,0,0,0,0|2,0,0]=3 146 B7R1.3 c1cnccc1Br AB05093 [1,0,0,0,0,0|1,0,0]=2 147 B7R1.3 c1cnccc1I AB10861 [1,0,0,0,0,0|1,0,0]=2 148 B7R1.3 c1cnccc1O PB17041 [1,0,0,0,0,0|1,0,0]=2 149 B7R1.3 c1cncnc1Br PB10690 [1,0,0,0,0,0|2,0,0]=3 150 B7R1.3 c1cncnc1Cl AB43600 [1,0,0,0,0,0|2,0,0]=3 151 B7R1.3 c1cncnc1Cl PB13479 [1,0,0,0,0,0|2,0,0]=3 152 B7R1.3 c1cncnc1N PB11581 [1,0,0,0,0,0|2,0,0]=3 153 B7R1.3 c1cncnc1O PB32093 [1,0,0,0,0,0|2,0,0]=3 154 B7R1.3 c1cnnc(n1)Cl AB72415 [1,0,0,0,0,0|3,0,0]=4 155 B7R1.3 c1cnnc(n1)N AB00769 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.3 c1cnncc1Br AB48350 [1,0,0,0,0,0|2,0,0]=3 157 B7R1.3 c1cnncc1Cl AB50535 [1,0,0,0,0,0|2,0,0]=3 158 B7R1.3 c1cnncc1I AB70137 [1,0,0,0,0,0|2,0,0]=3 159 B7R1.3 c1cnncc1N PB29051 [1,0,0,0,0,0|2,0,0]=3 160 B7R1.3 c1cnncc1N PB39062 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.2 C#Cc1cc(ccn1)Br AB68985 [0,1,0,0,0,0|1,0,1]=3 162 B9R1.2 C#Cc1cc(ccn1)Cl AB68983 [0,1,0,0,0,0|1,0,1]=3 163 B9R1.2 C#Cc1ccnc(c1)Br AB69031 [0,1,0,0,0,0|1,0,1]=3 164 B9R1.2 C#Cc1ccnc(c1)Cl AB69028 [0,1,0,0,0,0|1,0,1]=3 165 B9R1.2 C#Cc1ccnc(c1)N AB69041 [0,1,0,0,0,0|1,0,1]=3 166 B9R1.2 C#Cc1ccnc(c1)O AB69040 [0,1,0,0,0,0|1,0,1]=3 167 B9R1.2 C#Cc1ccnc(n1)Cl AB69130 [0,1,0,0,0,0|2,0,1]=4 168 B9R1.2 C#Cc1ccnc(n1)N PB31662 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.2 C#Cc1nccc(n1)Cl AB69132 [0,1,0,0,0,0|2,0,1]=4 170 B9R1.2 C1C(=CC=NC1=O)CCl AB59907 [0,1,0,0,0,0|1,0,1]=3 171 B9R1.2 C1C(=CC=NC1=O)CN PB31062 [0,1,0,0,0,0|1,0,1]=3 172 B9R1.2 C1C(=CC=NC1=O)CO PB31863 [0,1,0,0,0,0|1,0,1]=3 173 B9R1.2 C1C(=NC=NC1=O)CN PB36838 [0,1,0,0,0,0|2,0,1]=4 174 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.2 CCc1cc(ccn1)O MB11624 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.2 CCc1cc(cnc1)O MB12329 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.2 CCc1cc(ncn1)Br MB09510 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.2 CCc1cc(ncn1)Cl AB51253 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.2 CCc1cc(ncn1)N AB54955 [0,1,0,0,0,0|2,0,0]=3 181 B9R1.2 CCc1cc(ncn1)O AB54953 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.2 CCc1nccc(n1)Cl AB51249 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.2 CNc1cc(ccn1)Br MB07801 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.2 CNc1cc(ccn1)O MB29569 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.2 CNc1cc(cnc1)Br MB13417 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.2 CNc1cc(cnc1)O MB32689 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.2 CNc1cc(ncn1)Br MB14299 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.2 CNc1cc[nH]c(=O)n1 AB60627 [0,1,0,0,0,0|2,0,1]=4 190 B9R1.2 CNc1cccc(c1)O MB25493 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.2 CNc1cccc(n1)Br AB50070 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.2 CNc1ccnc(c1)Cl AB60612 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.2 CNc1ccnc(n1)Br MB14143 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.2 CNc1ccnc(n1)Cl AB49666 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.2 CNc1nccc(n1)Br MB13471 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.2 CNc1nccc(n1)Cl AB52980 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.2 COC1=CN=NC(=O)C1 AB22384 [0,1,0,0,0,0|2,0,1]=4 199 B9R1.2 COc1cc(ccn1)Br AB44876 [0,1,0,0,0,0|1,0,0]=2 200 B9R1.2 COc1cc(ccn1)Cl AB27571 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.2 COc1cc(ccn1)F AB53299 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.2 COc1cc(ccn1)I MB06098 [0,1,0,0,0,0|1,0,0]=2 203 B9R1.2 COc1cc(ccn1)N PB20942 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.2 COc1cc(ccn1)O MB11972 [0,1,0,0,0,0|1,0,0]=2 205 B9R1.2 COc1cc(cnc1)Br PB24634 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.2 COc1cc(cnc1)Cl AB55073 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.2 COc1cc(cnc1)F AB66777 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.2 COc1cc(cnc1)I AB43793 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.2 COc1cc(cnc1)N PB12653 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.2 COc1cc(cnc1)N PB25488 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.2 COc1cc(cnc1)O AB29711 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.2 COc1cc(cnn1)N AB76247 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.2 COc1cc(ncn1)Br MB14215 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.2 COc1cc(ncn1)Cl AB23017 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.2 COc1cc(ncn1)N PB30606 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.2 COc1cc(nnc1)Cl PB27887 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.2 COc1cccc(n1)Cl AB00671 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.2 COc1cccc(n1)F AB55818 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.2 COc1cccc(n1)I AB31101 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.2 COc1cccc(n1)N AB21183 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.2 COc1cccc(n1)O AB31854 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.2 COc1ccnc(c1)Br AB23696 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.2 COc1ccnc(c1)Cl AB10868 [0,1,0,0,0,0|1,0,0]=2 224 B9R1.2 COc1ccnc(c1)F AB66367 [0,1,0,0,0,0|1,0,0]=2 225 B9R1.2 COc1ccnc(c1)N AB41933 [0,1,0,0,0,0|1,0,0]=2 226 B9R1.2 COc1ccnc(n1)Br MB07472 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.2 COc1cnnc(n1)Cl AB71503 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.2 COc1nccc(n1)Br AB54361 [0,1,0,0,0,0|2,0,0]=3 229 B9R1.2 COc1nccc(n1)Cl AB49109 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.2 COc1nccc(n1)N PB29013 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.2 CSc1cc(ccn1)Br MB09718 [0,1,0,0,0,0|1,0,0]=2 233 B9R1.2 CSc1cc(ccn1)O MB36936 [0,1,0,0,0,0|1,0,0]=2 234 B9R1.2 CSc1cc(cnc1)Br MB06469 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.2 CSc1cc(cnc1)O MB28894 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.2 CSc1cc(ncn1)Br MB14195 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.2 CSc1cccc(n1)Br MB07302 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.2 CSc1ccnc(n1)Br MB14073 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.2 CSc1cnnc(n1)Cl AB71510 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.2 CSc1nccc(n1)Br AB54070 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.2 CSc1nccc(n1)Cl PB10012 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.2 CSc1nccc(n1)I AB08843 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.2 Cc1cc(ccn1)C#C AB66571 [0,1,0,0,0,0|0,0,1]=2 244 B9R1.2 Cc1cc(ccn1)C=O AB24827 [0,1,0,0,0,0|0,0,1]=2 245 B9R1.2 Cc1cc(ccn1)CCl AB59910 [0,1,0,0,0,0|0,0,0]=1 246 B9R1.2 Cc1cc(ccn1)CN AB25370 [0,1,0,0,0,0|0,0,0]=1 247 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,1,0,0,0,0|2,0,1]=4 248 B9R1.2 Cc1cc(cnc1)CCl AB55820 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.2 Cc1cc(cnc1)CN AB23459 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.2 Cc1cc(cnc1)OC AB64998 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.2 Cc1cc(ncn1)CO PB11190 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.2 Cc1cc(nnc1)C#N PB11387 [0,1,0,0,0,0|1,0,1]=3 254 B9R1.2 Cc1cc(nnc1)CN PB37868 [0,1,0,0,0,0|1,0,0]=2 255 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,1,0,0,0,0|2,0,1]=4 256 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,1,0,0,0,0|2,0,1]=4 257 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.2 Cc1cccc(n1)NC AB60602 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.2 Cc1ccnc(c1)C#C AB66576 [0,1,0,0,0,0|0,0,1]=2 261 B9R1.2 Cc1ccnc(c1)C#N AB03610 [0,1,0,0,0,0|0,0,1]=2 262 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,1,0,0,0,0|0,0,0]=1 263 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,1,0,0,0,0|0,0,0]=1 264 B9R1.2 Cc1ccnc(n1)C#C AB69142 [0,1,0,0,0,0|1,0,1]=3 265 B9R1.2 Cc1ccnc(n1)C#N PB33166 [0,1,0,0,0,0|1,0,1]=3 266 B9R1.2 Cc1ccnc(n1)C=O PB28177 [0,1,0,0,0,0|1,0,1]=3 267 B9R1.2 Cc1ccnc(n1)CCl PB25297 [0,1,0,0,0,0|1,0,0]=2 268 B9R1.2 Cc1ccnc(n1)CN PB16292 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.2 Cc1ccnc(n1)CO PB24151 [0,1,0,0,0,0|1,0,0]=2 270 B9R1.2 Cc1cncc(n1)CCl AB60498 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.2 Cc1cncc(n1)CN AB72296 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.2 Cc1nccc(n1)C=O AB52721 [0,1,0,0,0,0|1,0,1]=3 273 B9R1.2 Cc1nccc(n1)CCl AB58939 [0,1,0,0,0,0|1,0,0]=2 274 B9R1.2 Cc1nccc(n1)CN AB43194 [0,1,0,0,0,0|1,0,0]=2 275 B9R1.2 c1c(cncc1Br)CCl AB60029 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.2 c1c(cncc1Br)CCl PB25120 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.2 c1c(cncc1Br)CN PB23445 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.2 c1c(cncc1Br)CO PB29242 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.2 c1c(cncc1Cl)CCl AB60038 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.2 c1c(cncc1Cl)CCl PB33259 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.2 c1c(cncc1Cl)CN AB63152 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.2 c1c(cncc1F)CCl PB35002 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.2 c1c(cncc1F)CN PB29533 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.2 c1c(cncc1F)CO PB12255 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.2 c1c(cncc1I)CCl AB45545 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.2 c1c(cncc1I)CO AB45541 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.2 c1c(cncc1N)CN AB31384 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.2 c1c(cncc1N)CO AB31625 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.2 c1c(cncc1O)CN MB28837 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.2 c1c(ncnc1Br)C#N MB14316 [0,1,0,0,0,0|2,0,1]=4 291 B9R1.2 c1c(ncnc1Cl)C#N AB50837 [0,1,0,0,0,0|2,0,1]=4 292 B9R1.2 c1c(ncnc1Cl)C=O AB58865 [0,1,0,0,0,0|2,0,1]=4 293 B9R1.2 c1c(ncnc1Cl)CCl AB58944 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.2 c1c(ncnc1Cl)CO PB11446 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.2 c1c(ncnc1N)CN PB30390 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.2 c1c(ncnc1O)C=O AB58874 [0,1,0,0,0,0|2,0,1]=4 297 B9R1.2 c1c(ncnc1O)CCl AB59093 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.2 c1cc(c[n+](c1)[O-])CCl AB59951 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,1,0,0,0,0|2,0,0]=3 302 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,0,0,0|3,0,0]=4 313 B9R1.2 c1cnc(cc1Br)C#N PB29307 [0,1,0,0,0,0|1,0,1]=3 314 B9R1.2 c1cnc(cc1Br)C=O PB10584 [0,1,0,0,0,0|1,0,1]=3 315 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,1,0,0,0,0|1,0,0]=2 316 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,1,0,0,0,0|1,0,0]=2 317 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,1,0,0,0,0|1,0,0]=2 318 B9R1.2 c1cnc(cc1C#N)Br AB31306 [0,1,0,0,0,0|1,0,1]=3 319 B9R1.2 c1cnc(cc1C#N)Cl AB04394 [0,1,0,0,0,0|1,0,1]=3 320 B9R1.2 c1cnc(cc1C#N)F AB49151 [0,1,0,0,0,0|1,0,1]=3 321 B9R1.2 c1cnc(cc1C#N)N PB17329 [0,1,0,0,0,0|1,0,1]=3 322 B9R1.2 c1cnc(cc1C#N)O PB20081 [0,1,0,0,0,0|1,0,1]=3 323 B9R1.2 c1cnc(cc1C=O)Br AB17326 [0,1,0,0,0,0|1,0,1]=3 324 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [0,1,0,0,0,0|1,0,1]=3 325 B9R1.2 c1cnc(cc1C=O)F AB24818 [0,1,0,0,0,0|1,0,1]=3 326 B9R1.2 c1cnc(cc1CCl)Br AB65254 [0,1,0,0,0,0|1,0,0]=2 327 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [0,1,0,0,0,0|1,0,0]=2 328 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [0,1,0,0,0,0|1,0,0]=2 329 B9R1.2 c1cnc(cc1CCl)F AB59901 [0,1,0,0,0,0|1,0,0]=2 330 B9R1.2 c1cnc(cc1CN)Br AB31307 [0,1,0,0,0,0|1,0,0]=2 331 B9R1.2 c1cnc(cc1CN)Cl PB15828 [0,1,0,0,0,0|1,0,0]=2 332 B9R1.2 c1cnc(cc1CN)F AB63132 [0,1,0,0,0,0|1,0,0]=2 333 B9R1.2 c1cnc(cc1CN)F AB63135 [0,1,0,0,0,0|1,0,0]=2 334 B9R1.2 c1cnc(cc1CN)N AB23468 [0,1,0,0,0,0|1,0,0]=2 335 B9R1.2 c1cnc(cc1CO)Br AB17330 [0,1,0,0,0,0|1,0,0]=2 336 B9R1.2 c1cnc(cc1CO)Cl PB21002 [0,1,0,0,0,0|1,0,0]=2 337 B9R1.2 c1cnc(cc1CO)N PB33706 [0,1,0,0,0,0|1,0,0]=2 338 B9R1.2 c1cnc(cc1Cl)C#N PB32398 [0,1,0,0,0,0|1,0,1]=3 339 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [0,1,0,0,0,0|1,0,1]=3 340 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,1,0,0,0,0|1,0,0]=2 341 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,1,0,0,0,0|1,0,0]=2 342 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,1,0,0,0,0|1,0,0]=2 343 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,1,0,0,0,0|1,0,0]=2 344 B9R1.2 c1cnc(cc1F)C#N AB52749 [0,1,0,0,0,0|1,0,1]=3 345 B9R1.2 c1cnc(cc1F)C=O AB68024 [0,1,0,0,0,0|1,0,1]=3 346 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,1,0,0,0,0|1,0,0]=2 347 B9R1.2 c1cnc(cc1F)CN AB65162 [0,1,0,0,0,0|1,0,0]=2 348 B9R1.2 c1cnc(cc1N)C#N PB10426 [0,1,0,0,0,0|1,0,1]=3 349 B9R1.2 c1cnc(cc1N)C=O AB68102 [0,1,0,0,0,0|1,0,1]=3 350 B9R1.2 c1cnc(cc1O)C#N MB05241 [0,1,0,0,0,0|1,0,1]=3 351 B9R1.2 c1cnc(cc1O)C=O AB68125 [0,1,0,0,0,0|1,0,1]=3 352 B9R1.2 c1cnc(cc1O)CN MB14853 [0,1,0,0,0,0|1,0,0]=2 353 B9R1.2 c1cnc(nc1Br)C#N MB11791 [0,1,0,0,0,0|2,0,1]=4 354 B9R1.2 c1cnc(nc1C#N)Br MB13465 [0,1,0,0,0,0|2,0,1]=4 355 B9R1.2 c1cnc(nc1C#N)Cl PB12164 [0,1,0,0,0,0|2,0,1]=4 356 B9R1.2 c1cnc(nc1C#N)N AB52976 [0,1,0,0,0,0|2,0,1]=4 357 B9R1.2 c1cnc(nc1C=O)Cl PB16282 [0,1,0,0,0,0|2,0,1]=4 358 B9R1.2 c1cnc(nc1CCl)Cl AB58935 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.2 c1cnc(nc1CN)Cl AB58851 [0,1,0,0,0,0|2,0,0]=3 360 B9R1.2 c1cnc(nc1CN)O PB23029 [0,1,0,0,0,0|2,0,0]=3 361 B9R1.2 c1cnc(nc1Cl)C#N AB50815 [0,1,0,0,0,0|2,0,1]=4 362 B9R1.2 c1cnc(nc1Cl)C=O AB52774 [0,1,0,0,0,0|2,0,1]=4 363 B9R1.2 c1cnc(nc1Cl)CCl AB59104 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.2 c1cnc(nc1Cl)CN AB05129 [0,1,0,0,0,0|2,0,0]=3 365 B9R1.2 c1cnc(nc1Cl)CO AB64233 [0,1,0,0,0,0|2,0,0]=3 366 B9R1.2 c1cnc(nc1N)C#N AB52972 [0,1,0,0,0,0|2,0,1]=4 367 B9R1.2 c1cnc(nc1N)CCl AB59419 [0,1,0,0,0,0|2,0,0]=3 368 B9R1.2 c1cnc(nc1N)CN AB62661 [0,1,0,0,0,0|2,0,0]=3 369 B9R1.2 c1cnc(nc1O)CCl AB59397 [0,1,0,0,0,0|2,0,0]=3 370 B9R1.2 c1cnc(nc1O)CN AB63186 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [0,1,0,0,0,0|1,0,0]=2 372 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [0,1,0,0,0,0|1,0,0]=2 373 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [0,1,0,0,0,0|1,0,0]=2 374 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [0,1,0,0,0,0|1,0,0]=2 375 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [0,1,0,0,0,0|1,0,0]=2 376 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [0,1,0,0,0,0|1,0,0]=2 377 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [0,1,0,0,0,0|1,0,0]=2 378 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [0,1,0,0,0,0|1,0,0]=2 379 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [0,1,0,0,0,0|1,0,0]=2 380 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [0,1,0,0,0,0|1,0,0]=2 382 B9R1.3 Cc1c(c(ncn1)C)Br PB26303 [0,1,0,0,0,0|1,0,0]=2 383 B9R1.3 Cc1c(c(ncn1)Cl)Cl AB54870 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.3 Cc1c(c(ncn1)N)Cl AB53379 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.3 Cc1c(c(ncn1)O)Br AB09553 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.3 Cc1c(c(ncn1)O)Cl AB05118 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.3 Cc1c(cccc1Br)O MB09253 [0,1,0,0,0,0|3,0,0]=4 388 B9R1.3 Cc1c(cccc1I)O MB23347 [0,1,0,0,0,0|3,0,0]=4 389 B9R1.3 Cc1c(ccnc1Br)Cl AB71053 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.3 Cc1c(ccnc1Br)F AB71081 [0,1,0,0,0,0|2,0,0]=3 391 B9R1.3 Cc1c(ccnc1Cl)Br AB53555 [0,1,0,0,0,0|2,0,0]=3 392 B9R1.3 Cc1c(ccnc1Cl)I AB13660 [0,1,0,0,0,0|2,0,0]=3 393 B9R1.3 Cc1c(ccnc1Cl)N AB75729 [0,1,0,0,0,0|2,0,0]=3 394 B9R1.3 Cc1c(ccnc1Cl)O AB71179 [0,1,0,0,0,0|2,0,0]=3 395 B9R1.3 Cc1c(ccnc1F)Br AB53559 [0,1,0,0,0,0|2,0,0]=3 396 B9R1.3 Cc1c(ccnc1F)N AB82851 [0,1,0,0,0,0|2,0,0]=3 397 B9R1.3 Cc1c(ccnc1F)O AB71301 [0,1,0,0,0,0|2,0,0]=3 398 B9R1.3 Cc1c(ccnc1N)Cl AB70874 [0,1,0,0,0,0|2,0,0]=3 399 B9R1.3 Cc1c(ccnc1N)F AB70896 [0,1,0,0,0,0|2,0,0]=3 400 B9R1.3 Cc1c(ccnc1O)Cl AB71198 [0,1,0,0,0,0|2,0,0]=3 401 B9R1.3 Cc1c(ccnc1O)F AB71318 [0,1,0,0,0,0|2,0,0]=3 402 B9R1.3 Cc1c(nccc1Br)C AB74548 [0,1,0,0,0,0|1,0,0]=2 403 B9R1.3 Cc1c(nccc1Cl)C AB72126 [0,1,0,0,0,0|1,0,0]=2 404 B9R1.3 Cc1c(nccc1N)C AB01511 [0,1,0,0,0,0|1,0,0]=2 405 B9R1.3 Cc1c(nccc1O)C AB75493 [0,1,0,0,0,0|1,0,0]=2 406 B9R1.3 Cc1c(ncnc1Cl)C AB54898 [0,1,0,0,0,0|2,0,0]=3 407 B9R1.3 Cc1c(ncnc1N)C AB54984 [0,1,0,0,0,0|2,0,0]=3 408 B9R1.3 Cc1c(ncnc1O)C AB05196 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,1,0,0,0,0|2,0,0]=3 411 B9R1.3 Cc1cccc(c1F)N AB25121 [0,1,0,0,0,0|2,0,0]=3 412 B9R1.3 Cc1cccc(c1I)O MB23494 [0,1,0,0,0,0|2,0,0]=3 413 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,1,0,0,0,0|2,0,0]=3 414 B9R1.3 Cc1cccc(c1N)F MB03934 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.3 Cc1cccc(c1O)F MB11516 [0,1,0,0,0,0|2,0,0]=3 416 B9R1.3 Cc1cccc(c1O)I MB23471 [0,1,0,0,0,0|2,0,0]=3 417 B9R1.3 Cc1cccc(c1O)N MB02950 [0,1,0,0,0,0|2,0,0]=3 418 B9R1.3 Cc1ccnc(c1Br)C AB53712 [0,1,0,0,0,0|0,0,0]=1 419 B9R1.3 Cc1ccnc(c1Br)Cl PB21837 [0,1,0,0,0,0|1,0,0]=2 420 B9R1.3 Cc1ccnc(c1Br)F AB44900 [0,1,0,0,0,0|1,0,0]=2 421 B9R1.3 Cc1ccnc(c1C)Br AB25365 [0,1,0,0,0,0|1,0,0]=2 422 B9R1.3 Cc1ccnc(c1C)N AB11611 [0,1,0,0,0,0|1,0,0]=2 423 B9R1.3 Cc1ccnc(c1C)O AB66577 [0,1,0,0,0,0|1,0,0]=2 424 B9R1.3 Cc1ccnc(c1Cl)Br AB44895 [0,1,0,0,0,0|1,0,0]=2 425 B9R1.3 Cc1ccnc(c1Cl)N AB53535 [0,1,0,0,0,0|1,0,0]=2 426 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [0,1,0,0,0,0|1,0,0]=2 427 B9R1.3 Cc1ccnc(c1N)Br AB17559 [0,1,0,0,0,0|1,0,0]=2 428 B9R1.3 Cc1ccnc(c1N)C AB43810 [0,1,0,0,0,0|0,0,0]=1 429 B9R1.3 Cc1ccnc(c1N)Cl PB21708 [0,1,0,0,0,0|1,0,0]=2 430 B9R1.3 Cc1ccnc(c1N)F AB17625 [0,1,0,0,0,0|1,0,0]=2 431 B9R1.3 Cc1ccnc(c1N)N PB32179 [0,1,0,0,0,0|1,0,0]=2 432 B9R1.3 Cc1ccnc(c1O)C AB43831 [0,1,0,0,0,0|0,0,0]=1 433 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [0,1,0,0,0,0|1,0,0]=2 434 B9R1.3 Cc1ccnc(c1O)F AB71297 [0,1,0,0,0,0|1,0,0]=2 435 B9R1.3 Cc1cncc(c1Br)C AB53717 [0,1,0,0,0,0|2,0,0]=3 436 B9R1.3 Cc1cncc(c1Br)Cl AB74973 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.3 Cc1cncc(c1Br)F AB74996 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.3 Cc1cncc(c1C)Br AB64494 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.3 Cc1cncc(c1C)N AB76783 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.3 Cc1cncc(c1C)O AB65620 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.3 Cc1cncc(c1Cl)Br AB75732 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.3 Cc1cncc(c1Cl)C AB50483 [0,1,0,0,0,0|2,0,0]=3 443 B9R1.3 Cc1cncc(c1Cl)N AB75728 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.3 Cc1cncc(c1Cl)O AB71654 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.3 Cc1cncc(c1F)Br AB74994 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.3 Cc1cncc(c1F)N AB66587 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.3 Cc1cncc(c1F)O AB82936 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.3 Cc1cncc(c1N)C AB14443 [0,1,0,0,0,0|2,0,0]=3 449 B9R1.3 Cc1cncc(c1N)Cl AB44879 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.3 Cc1cncc(c1N)F AB75360 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.3 Cc1cncc(c1N)N AB60255 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.3 Cc1cncc(c1O)C AB82550 [0,1,0,0,0,0|2,0,0]=3 453 B9R1.3 Cc1cncc(c1O)Cl AB75744 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.3 Cc1cncc(c1O)F AB25961 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.3 Cn1c(ccnc1=O)Cl MB19859 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.3 Cn1ccc[n+](c1=O)C AB09988 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.3 Cn1cccc(c1=O)Br PB32951 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.3 Cn1cccc(c1=O)N PB15071 [0,1,0,0,0,0|3,0,0]=4 459 B9R1.3 c1[nH]c(=O)c(c(n1)N)Br MB05394 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.3 c1c(c(c(nn1)Cl)Cl)Cl PB28958 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.3 c1cc(c(c(c1)Br)Cl)Br CB11700 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.3 c1cc(c(c(c1)Br)O)Cl MB08152 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.3 c1cc(c(c(c1)Br)O)N AB44905 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.3 c1cc(c(c(c1)Cl)Br)N MB08909 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.3 c1cc(c(c(c1)Cl)I)N AB28280 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.3 c1cc(c(c(c1)Cl)N)N AB54530 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.3 c1cc(c(c(c1)F)Cl)N AB14054 [0,1,0,0,0,0|3,0,0]=4 474 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.3 c1cc(c(c(c1)F)N)N MB00506 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.3 c1cc(c(c(c1)F)O)N AB45742 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.3 c1cc(c(c(c1)I)Br)F MB07001 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.3 c1cc(c(c(c1)I)O)Br MB25662 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.3 c1cc(c(c(c1)I)O)Cl MB14795 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.3 c1cc(c(c(c1)I)O)F MB05032 [0,1,0,0,0,0|3,0,0]=4 487 B9R1.3 c1cc(c(c(c1)I)O)I MB25505 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.3 c1cc(c(c(c1)I)O)N MB35855 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.3 c1cc(c(c(c1)N)O)N MB01221 [0,1,0,0,0,0|3,0,0]=4 490 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [0,1,0,0,0,0|3,0,0]=4 493 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [0,1,0,0,0,0|3,0,0]=4 494 B9R1.3 c1cnc(c(c1Br)Cl)F AB62814 [0,1,0,0,0,0|2,0,0]=3 495 B9R1.3 c1cnc(c(c1Br)Cl)N AB70625 [0,1,0,0,0,0|2,0,0]=3 496 B9R1.3 c1cnc(c(c1Br)Cl)O AB70927 [0,1,0,0,0,0|2,0,0]=3 497 B9R1.3 c1cnc(c(c1Br)F)Cl AB70923 [0,1,0,0,0,0|2,0,0]=3 498 B9R1.3 c1cnc(c(c1Br)N)Cl AB76588 [0,1,0,0,0,0|2,0,0]=3 499 B9R1.3 c1cnc(c(c1Br)N)N PB33239 [0,1,0,0,0,0|2,0,0]=3 500 B9R1.3 c1cnc(c(c1Br)O)Cl AB70925 [0,1,0,0,0,0|2,0,0]=3 501 B9R1.3 c1cnc(c(c1Cl)Br)F AB74960 [0,1,0,0,0,0|2,0,0]=3 502 B9R1.3 c1cnc(c(c1Cl)Cl)N AB44396 [0,1,0,0,0,0|2,0,0]=3 503 B9R1.3 c1cnc(c(c1Cl)Cl)O AB71282 [0,1,0,0,0,0|2,0,0]=3 504 B9R1.3 c1cnc(c(c1Cl)F)Br AB74959 [0,1,0,0,0,0|2,0,0]=3 505 B9R1.3 c1cnc(c(c1Cl)F)N AB83135 [0,1,0,0,0,0|2,0,0]=3 506 B9R1.3 c1cnc(c(c1Cl)F)O AB71156 [0,1,0,0,0,0|2,0,0]=3 507 B9R1.3 c1cnc(c(c1Cl)I)Cl CB11215 [0,1,0,0,0,0|2,0,0]=3 508 B9R1.3 c1cnc(c(c1Cl)I)N PB16074 [0,1,0,0,0,0|2,0,0]=3 509 B9R1.3 c1cnc(c(c1Cl)N)Br AB70423 [0,1,0,0,0,0|2,0,0]=3 510 B9R1.3 c1cnc(c(c1Cl)N)Cl AB51385 [0,1,0,0,0,0|2,0,0]=3 511 B9R1.3 c1cnc(c(c1Cl)N)F AB83198 [0,1,0,0,0,0|2,0,0]=3 512 B9R1.3 c1cnc(c(c1Cl)N)N PB28504 [0,1,0,0,0,0|2,0,0]=3 513 B9R1.3 c1cnc(c(c1Cl)N)O AB75026 [0,1,0,0,0,0|2,0,0]=3 514 B9R1.3 c1cnc(c(c1Cl)O)Br AB74968 [0,1,0,0,0,0|2,0,0]=3 515 B9R1.3 c1cnc(c(c1Cl)O)Cl AB70492 [0,1,0,0,0,0|2,0,0]=3 516 B9R1.3 c1cnc(c(c1Cl)O)F AB71148 [0,1,0,0,0,0|2,0,0]=3 517 B9R1.3 c1cnc(c(c1Cl)O)N AB53290 [0,1,0,0,0,0|2,0,0]=3 518 B9R1.3 c1cnc(c(c1Cl)O)O AB83983 [0,1,0,0,0,0|2,0,0]=3 519 B9R1.3 c1cnc(c(c1F)Cl)Br AB82998 [0,1,0,0,0,0|2,0,0]=3 520 B9R1.3 c1cnc(c(c1F)Cl)N AB83000 [0,1,0,0,0,0|2,0,0]=3 521 B9R1.3 c1cnc(c(c1F)Cl)O AB71146 [0,1,0,0,0,0|2,0,0]=3 522 B9R1.3 c1cnc(c(c1I)O)I MB09113 [0,1,0,0,0,0|2,0,0]=3 523 B9R1.3 c1cnc(c(c1N)Br)Cl PB34372 [0,1,0,0,0,0|2,0,0]=3 524 B9R1.3 c1cnc(c(c1N)Cl)Br AB09546 [0,1,0,0,0,0|2,0,0]=3 525 B9R1.3 c1cnc(c(c1N)Cl)Cl AB09580 [0,1,0,0,0,0|2,0,0]=3 526 B9R1.3 c1cnc(c(c1N)Cl)F AB70632 [0,1,0,0,0,0|2,0,0]=3 527 B9R1.3 c1cnc(c(c1N)Cl)N AB70628 [0,1,0,0,0,0|2,0,0]=3 528 B9R1.3 c1cnc(c(c1N)Cl)O AB51578 [0,1,0,0,0,0|2,0,0]=3 529 B9R1.3 c1cnc(c(c1N)F)Cl AB70858 [0,1,0,0,0,0|2,0,0]=3 530 B9R1.3 c1cnc(c(c1N)N)Br PB11027 [0,1,0,0,0,0|2,0,0]=3 531 B9R1.3 c1cnc(c(c1N)N)Cl PB12434 [0,1,0,0,0,0|2,0,0]=3 532 B9R1.3 c1cnc(c(c1N)N)F AB70620 [0,1,0,0,0,0|2,0,0]=3 533 B9R1.3 c1cnc(c(c1N)N)N AB52988 [0,1,0,0,0,0|2,0,0]=3 534 B9R1.3 c1cnc(c(c1N)O)Cl AB70863 [0,1,0,0,0,0|2,0,0]=3 535 B9R1.3 c1cnc(c(c1O)Cl)Br AB74964 [0,1,0,0,0,0|2,0,0]=3 536 B9R1.3 c1cnc(c(c1O)Cl)Cl AB71281 [0,1,0,0,0,0|2,0,0]=3 537 B9R1.3 c1cnc(c(c1O)Cl)F AB71141 [0,1,0,0,0,0|2,0,0]=3 538 B9R1.3 c1cnc(c(c1O)Cl)N AB74554 [0,1,0,0,0,0|2,0,0]=3 539 B9R1.3 c1cnc(c(c1O)Cl)O AB09579 [0,1,0,0,0,0|2,0,0]=3 540 B9R1.3 c1cnc(c(c1O)F)Cl AB69317 [0,1,0,0,0,0|2,0,0]=3 541 B9R1.3 c1cnc(c(c1O)N)Cl AB76250 [0,1,0,0,0,0|2,0,0]=3 542 B9R1.3 c1cnc(c(c1O)O)Cl AB70497 [0,1,0,0,0,0|2,0,0]=3 543 B9R1.3 c1nc(c(c(n1)Cl)Cl)O AB54896 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.3 c1nc(c(c(n1)Cl)F)Cl PB18840 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.3 c1nc(c(c(n1)Cl)N)Cl AB00590 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.3 c1nc(c(c(n1)Cl)N)N AB01351 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.3 c1nc(c(c(n1)O)F)O PB25105 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.3 c1nc(c(c(n1)O)I)N AB53178 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.3 c1nc(c(c(n1)O)N)N MB00183 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.34 Cc1cc([nH]c(=O)c1)O PB33379 [0,1,0,0,0,0|1,0,1]=3 551 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [0,1,0,0,0,0|2,0,0]=3 552 B9R1.34 Cc1cc(cc(c1)Br)F AB10112 [0,1,0,0,0,0|2,0,0]=3 553 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [0,1,0,0,0,0|2,0,0]=3 554 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [0,1,0,0,0,0|2,0,0]=3 555 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [0,1,0,0,0,0|2,0,0]=3 556 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [0,1,0,0,0,0|2,0,0]=3 557 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [0,1,0,0,0,0|2,0,0]=3 558 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [0,1,0,0,0,0|2,0,0]=3 559 B9R1.34 Cc1cc(cc(n1)Br)Cl AB70506 [0,1,0,0,0,0|1,0,0]=2 560 B9R1.34 Cc1cc(cc(n1)Br)F AB71085 [0,1,0,0,0,0|1,0,0]=2 561 B9R1.34 Cc1cc(cc(n1)Br)N AB65433 [0,1,0,0,0,0|1,0,0]=2 562 B9R1.34 Cc1cc(cc(n1)C)Br AB06743 [0,1,0,0,0,0|1,0,0]=2 563 B9R1.34 Cc1cc(cc(n1)C)Cl AB09599 [0,1,0,0,0,0|1,0,0]=2 564 B9R1.34 Cc1cc(cc(n1)C)N AB03678 [0,1,0,0,0,0|1,0,0]=2 565 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [0,1,0,0,0,0|1,0,0]=2 566 B9R1.34 Cc1cc(cc(n1)Cl)Cl AB46092 [0,1,0,0,0,0|1,0,0]=2 567 B9R1.34 Cc1cc(cc(n1)Cl)N AB05304 [0,1,0,0,0,0|1,0,0]=2 568 B9R1.34 Cc1cc(cc(n1)F)Br AB71093 [0,1,0,0,0,0|1,0,0]=2 569 B9R1.34 Cc1cc(cc(n1)N)Cl AB07298 [0,1,0,0,0,0|1,0,0]=2 570 B9R1.34 Cc1cc(cc(n1)N)F AB70902 [0,1,0,0,0,0|1,0,0]=2 571 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [0,1,0,0,0,0|1,0,0]=2 572 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [0,1,0,0,0,0|1,0,0]=2 573 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [0,1,0,0,0,0|1,0,0]=2 574 B9R1.34 Cc1cc(nc(c1)Br)C AB03103 [0,1,0,0,0,0|0,0,0]=1 575 B9R1.34 Cc1cc(nc(c1)Br)Cl AB53549 [0,1,0,0,0,0|1,0,0]=2 576 B9R1.34 Cc1cc(nc(c1)Br)F AB53551 [0,1,0,0,0,0|1,0,0]=2 577 B9R1.34 Cc1cc(nc(c1)Cl)Cl PB31372 [0,1,0,0,0,0|1,0,0]=2 578 B9R1.34 Cc1cc(nc(c1)Cl)N AB53542 [0,1,0,0,0,0|1,0,0]=2 579 B9R1.34 Cc1cc(nc(c1)Cl)O AB71189 [0,1,0,0,0,0|1,0,0]=2 580 B9R1.34 Cc1cc(nc(c1)F)N AB83076 [0,1,0,0,0,0|1,0,0]=2 581 B9R1.34 Cc1cc(nc(c1)F)O AB71308 [0,1,0,0,0,0|1,0,0]=2 582 B9R1.34 Cc1cc(nc(c1)N)C AB00706 [0,1,0,0,0,0|0,0,0]=1 583 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [0,1,0,0,0,0|0,0,0]=1 584 B9R1.34 Cc1cc(nc(n1)C)Cl AB05193 [0,1,0,0,0,0|1,0,0]=2 585 B9R1.34 Cc1cc(nc(n1)C)O AB00587 [0,1,0,0,0,0|1,0,0]=2 586 B9R1.34 Cc1cc(nc(n1)Cl)Br AB72373 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.34 Cc1cc(nc(n1)Cl)C AB01348 [0,1,0,0,0,0|1,0,0]=2 588 B9R1.34 Cc1cc(nc(n1)Cl)N PB12352 [0,1,0,0,0,0|2,0,0]=3 589 B9R1.34 Cc1nc(cc(n1)Cl)Cl PB20912 [0,1,0,0,0,0|2,0,0]=3 590 B9R1.34 Cc1nc(cc(n1)Cl)N PB26286 [0,1,0,0,0,0|2,0,0]=3 591 B9R1.34 c1c(cc(cc1Br)I)Cl AB42475 [0,1,0,0,0,0|3,0,0]=4 592 B9R1.34 c1c(cc(cc1Br)I)O MB11855 [0,1,0,0,0,0|3,0,0]=4 593 B9R1.34 c1c(cc(cc1Cl)Br)N AB29734 [0,1,0,0,0,0|3,0,0]=4 594 B9R1.34 c1c(cc(cc1Cl)Br)O AB42547 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.34 c1c(cc(cc1Cl)I)O MB11857 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.34 c1c(cc(cc1F)I)O MB26711 [0,1,0,0,0,0|3,0,0]=4 597 B9R1.34 c1c(cc(cc1I)I)O MB11867 [0,1,0,0,0,0|3,0,0]=4 598 B9R1.34 c1c(cc(cc1O)Br)N MB25497 [0,1,0,0,0,0|3,0,0]=4 599 B9R1.34 c1c(cc(cc1O)F)N MB11825 [0,1,0,0,0,0|3,0,0]=4 600 B9R1.34 c1c(cc(cc1O)I)N MB34300 [0,1,0,0,0,0|3,0,0]=4 601 B9R1.34 c1c(cc(nc1Br)Br)Cl AB68802 [0,1,0,0,0,0|2,0,0]=3 602 B9R1.34 c1c(cc(nc1Br)Br)N AB05102 [0,1,0,0,0,0|2,0,0]=3 603 B9R1.34 c1c(cc(nc1Cl)Br)Cl AB62525 [0,1,0,0,0,0|2,0,0]=3 604 B9R1.34 c1c(cc(nc1Cl)Br)F AB83211 [0,1,0,0,0,0|2,0,0]=3 605 B9R1.34 c1c(cc(nc1Cl)Br)N AB68218 [0,1,0,0,0,0|2,0,0]=3 606 B9R1.34 c1c(cc(nc1Cl)Cl)Br AB64829 [0,1,0,0,0,0|2,0,0]=3 607 B9R1.34 c1c(cc(nc1Cl)Cl)Cl PB19901 [0,1,0,0,0,0|2,0,0]=3 608 B9R1.34 c1c(cc(nc1Cl)Cl)F AB66757 [0,1,0,0,0,0|2,0,0]=3 609 B9R1.34 c1c(cc(nc1Cl)Cl)I AB32018 [0,1,0,0,0,0|2,0,0]=3 610 B9R1.34 c1c(cc(nc1Cl)Cl)N AB02218 [0,1,0,0,0,0|2,0,0]=3 611 B9R1.34 c1c(cc(nc1F)Br)Cl AB83180 [0,1,0,0,0,0|2,0,0]=3 612 B9R1.34 c1c(cc(nc1F)Cl)Cl AB72861 [0,1,0,0,0,0|2,0,0]=3 613 B9R1.34 c1c(cc(nc1F)F)F PB32320 [0,1,0,0,0,0|2,0,0]=3 614 B9R1.34 c1c(cc(nc1N)Cl)Cl AB17004 [0,1,0,0,0,0|2,0,0]=3 615 B9R1.34 c1c(cc(nc1N)Cl)F AB83213 [0,1,0,0,0,0|2,0,0]=3 616 B9R1.34 c1c(cc(nc1N)F)Cl AB83181 [0,1,0,0,0,0|2,0,0]=3 617 B9R1.34 c1c(cc(nc1N)N)Br CB10800 [0,1,0,0,0,0|2,0,0]=3 618 B9R1.34 c1c(cc(nc1O)Cl)Cl AB62522 [0,1,0,0,0,0|2,0,0]=3 619 B9R1.34 c1c(cc(nc1O)Cl)F AB71139 [0,1,0,0,0,0|2,0,0]=3 620 B9R1.34 c1c(cc(nc1O)F)Cl AB71154 [0,1,0,0,0,0|2,0,0]=3 621 B9R1.34 c1c(nc(nc1Br)N)Br PB25131 [0,1,0,0,0,0|3,0,0]=4 622 B9R1.34 c1c(nc(nc1Cl)Cl)O MB10267 [0,1,0,0,0,0|3,0,0]=4 623 B9R1.34 c1c(nc(nc1Cl)O)Cl MB14179 [0,1,0,0,0,0|3,0,0]=4 624 B9R1.34 c1c(nc(nc1Cl)S)N AB44312 [0,1,0,0,0,0|3,0,0]=4 625 B9R1.34 c1c(nc(nc1I)Cl)Br AB72371 [0,1,0,0,0,0|3,0,0]=4 626 B9R1.69 C1C(=C(C=NC1=O)Cl)O AB45636 [0,1,0,0,0,0|2,0,1]=4 627 B9R1.69 CC1C=C(N=NC1=O)C PB18522 [0,1,0,0,0,0|1,0,1]=3 628 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [0,1,0,0,0,0|3,0,0]=4 629 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [0,1,0,0,0,0|3,0,0]=4 631 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [0,1,0,0,0,0|3,0,0]=4 632 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [0,1,0,0,0,0|3,0,0]=4 633 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [0,1,0,0,0,0|3,0,0]=4 634 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [0,1,0,0,0,0|3,0,0]=4 635 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [0,1,0,0,0,0|3,0,0]=4 636 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [0,1,0,0,0,0|3,0,0]=4 637 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [0,1,0,0,0,0|3,0,0]=4 638 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [0,1,0,0,0,0|3,0,0]=4 639 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [0,1,0,0,0,0|3,0,0]=4 640 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [0,1,0,0,0,0|3,0,0]=4 641 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [0,1,0,0,0,0|3,0,0]=4 642 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [0,1,0,0,0,0|3,0,0]=4 643 B9R1.69 Cc1c(cnc(n1)C)Br AB70482 [0,1,0,0,0,0|1,0,0]=2 644 B9R1.69 Cc1c(cnc(n1)Cl)Br AB70433 [0,1,0,0,0,0|2,0,0]=3 645 B9R1.69 Cc1c(cnc(n1)Cl)N AB66433 [0,1,0,0,0,0|2,0,0]=3 646 B9R1.69 Cc1c(nnc(n1)C)Cl AB72440 [0,1,0,0,0,0|2,0,0]=3 647 B9R1.69 Cc1c(nnc(n1)Cl)Cl AB72423 [0,1,0,0,0,0|3,0,0]=4 648 B9R1.69 Cc1cc(c(cn1)Br)Cl PB25215 [0,1,0,0,0,0|1,0,0]=2 649 B9R1.69 Cc1cc(c(cn1)Br)F AB74992 [0,1,0,0,0,0|1,0,0]=2 650 B9R1.69 Cc1cc(c(cn1)Br)N PB10415 [0,1,0,0,0,0|1,0,0]=2 651 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [0,1,0,0,0,0|1,0,0]=2 652 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [0,1,0,0,0,0|1,0,0]=2 653 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [0,1,0,0,0,0|1,0,0]=2 654 B9R1.69 Cc1cc(c(cn1)Cl)Br AB71664 [0,1,0,0,0,0|1,0,0]=2 655 B9R1.69 Cc1cc(c(cn1)Cl)I AB71748 [0,1,0,0,0,0|1,0,0]=2 656 B9R1.69 Cc1cc(c(cn1)Cl)N AB40682 [0,1,0,0,0,0|1,0,0]=2 657 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [0,1,0,0,0,0|1,0,0]=2 658 B9R1.69 Cc1cc(c(cn1)F)Br AB74121 [0,1,0,0,0,0|1,0,0]=2 659 B9R1.69 Cc1cc(c(cn1)F)N AB70850 [0,1,0,0,0,0|1,0,0]=2 660 B9R1.69 Cc1cc(c(cn1)N)Br AB68541 [0,1,0,0,0,0|1,0,0]=2 661 B9R1.69 Cc1cc(c(cn1)N)Cl AB64291 [0,1,0,0,0,0|1,0,0]=2 662 B9R1.69 Cc1cc(c(cn1)N)F AB73537 [0,1,0,0,0,0|1,0,0]=2 663 B9R1.69 Cc1cc(c(cn1)N)N AB51224 [0,1,0,0,0,0|1,0,0]=2 664 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [0,1,0,0,0,0|1,0,0]=2 665 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [0,1,0,0,0,0|1,0,0]=2 666 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [0,1,0,0,0,0|2,0,0]=3 667 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [0,1,0,0,0,0|3,0,0]=4 669 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [0,1,0,0,0,0|3,0,0]=4 670 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [0,1,0,0,0,0|3,0,0]=4 671 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,1,0,0,0,0|3,0,0]=4 672 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [0,1,0,0,0,0|3,0,0]=4 673 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [0,1,0,0,0,0|3,0,0]=4 674 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,1,0,0,0,0|3,0,0]=4 675 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [0,1,0,0,0,0|3,0,0]=4 676 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [0,1,0,0,0,0|3,0,0]=4 677 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,1,0,0,0,0|3,0,0]=4 678 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [0,1,0,0,0,0|3,0,0]=4 679 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [0,1,0,0,0,0|2,0,0]=3 680 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [0,1,0,0,0,0|3,0,0]=4 681 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [0,1,0,0,0,0|3,0,0]=4 682 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [0,1,0,0,0,0|3,0,0]=4 683 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [0,1,0,0,0,0|3,0,0]=4 684 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,1,0,0,0,0|2,0,0]=3 685 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [0,1,0,0,0,0|3,0,0]=4 686 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [0,1,0,0,0,0|3,0,0]=4 687 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [0,1,0,0,0,0|3,0,0]=4 688 B9R1.69 Cc1cc(cc[n+]1[O-])Br AB70404 [0,1,0,0,0,0|1,0,1]=3 689 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,1,0,0,0,0|2,0,0]=3 690 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [0,1,0,0,0,0|3,0,0]=4 691 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [0,1,0,0,0,0|3,0,0]=4 692 B9R1.69 Cc1cc(cnc1Br)F AB53312 [0,1,0,0,0,0|3,0,0]=4 693 B9R1.69 Cc1cc(cnc1Br)N AB13464 [0,1,0,0,0,0|3,0,0]=4 694 B9R1.69 Cc1cc(cnc1Br)O AB53545 [0,1,0,0,0,0|3,0,0]=4 695 B9R1.69 Cc1cc(cnc1C)Br AB64498 [0,1,0,0,0,0|3,0,0]=4 696 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [0,1,0,0,0,0|3,0,0]=4 697 B9R1.69 Cc1cc(cnc1C)N AB42833 [0,1,0,0,0,0|3,0,0]=4 698 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,1,0,0,0,0|3,0,0]=4 699 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [0,1,0,0,0,0|3,0,0]=4 700 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [0,1,0,0,0,0|3,0,0]=4 701 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [0,1,0,0,0,0|3,0,0]=4 702 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [0,1,0,0,0,0|3,0,0]=4 703 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [0,1,0,0,0,0|3,0,0]=4 704 B9R1.69 Cc1cc(cnc1F)Br AB13475 [0,1,0,0,0,0|3,0,0]=4 705 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [0,1,0,0,0,0|3,0,0]=4 706 B9R1.69 Cc1cc(cnc1F)N AB13474 [0,1,0,0,0,0|3,0,0]=4 707 B9R1.69 Cc1cc(cnc1F)O AB53562 [0,1,0,0,0,0|3,0,0]=4 708 B9R1.69 Cc1cc(cnc1I)Br AB42361 [0,1,0,0,0,0|3,0,0]=4 709 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [0,1,0,0,0,0|3,0,0]=4 710 B9R1.69 Cc1cc(cnc1N)Br AB02787 [0,1,0,0,0,0|3,0,0]=4 711 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [0,1,0,0,0,0|3,0,0]=4 712 B9R1.69 Cc1cc(cnc1N)F AB41238 [0,1,0,0,0,0|3,0,0]=4 713 B9R1.69 Cc1cc(cnc1N)I AB10923 [0,1,0,0,0,0|3,0,0]=4 714 B9R1.69 Cc1cc(cnc1O)Br AB15087 [0,1,0,0,0,0|3,0,0]=4 715 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [0,1,0,0,0,0|3,0,0]=4 716 B9R1.69 Cc1cc(cnc1O)F AB82901 [0,1,0,0,0,0|3,0,0]=4 717 B9R1.69 Cc1cc(cnc1O)I CB10781 [0,1,0,0,0,0|3,0,0]=4 718 B9R1.69 Cc1cc(cnc1O)N AB41215 [0,1,0,0,0,0|3,0,0]=4 719 B9R1.69 Cc1cc(ncc1Br)Br AB05276 [0,1,0,0,0,0|1,0,0]=2 720 B9R1.69 Cc1cc(ncc1Br)C AB53714 [0,1,0,0,0,0|0,0,0]=1 721 B9R1.69 Cc1cc(ncc1Br)Cl AB15095 [0,1,0,0,0,0|1,0,0]=2 722 B9R1.69 Cc1cc(ncc1Br)F AB53532 [0,1,0,0,0,0|1,0,0]=2 723 B9R1.69 Cc1cc(ncc1Br)I AB52611 [0,1,0,0,0,0|1,0,0]=2 724 B9R1.69 Cc1cc(ncc1Br)N AB15088 [0,1,0,0,0,0|1,0,0]=2 725 B9R1.69 Cc1cc(ncc1Br)O AB15096 [0,1,0,0,0,0|1,0,0]=2 726 B9R1.69 Cc1cc(ncc1C)Br AB64948 [0,1,0,0,0,0|1,0,0]=2 727 B9R1.69 Cc1cc(ncc1C)N AB49139 [0,1,0,0,0,0|1,0,0]=2 728 B9R1.69 Cc1cc(ncc1C)O AB71287 [0,1,0,0,0,0|1,0,0]=2 729 B9R1.69 Cc1cc(ncc1Cl)Br AB64601 [0,1,0,0,0,0|1,0,0]=2 730 B9R1.69 Cc1cc(ncc1Cl)Cl AB41172 [0,1,0,0,0,0|1,0,0]=2 731 B9R1.69 Cc1cc(ncc1Cl)N AB24850 [0,1,0,0,0,0|1,0,0]=2 732 B9R1.69 Cc1cc(ncc1Cl)O AB41155 [0,1,0,0,0,0|1,0,0]=2 733 B9R1.69 Cc1cc(ncc1F)Br AB44912 [0,1,0,0,0,0|1,0,0]=2 734 B9R1.69 Cc1cc(ncc1I)N AB25384 [0,1,0,0,0,0|1,0,0]=2 735 B9R1.69 Cc1cc(ncc1N)Br PB25040 [0,1,0,0,0,0|1,0,0]=2 736 B9R1.69 Cc1cc(ncc1N)C AB41994 [0,1,0,0,0,0|0,0,0]=1 737 B9R1.69 Cc1cc(ncc1N)F AB53863 [0,1,0,0,0,0|1,0,0]=2 738 B9R1.69 Cc1cc(ncc1O)C AB44457 [0,1,0,0,0,0|0,0,0]=1 739 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [0,1,0,0,0,0|1,0,0]=2 740 B9R1.69 Cc1cc(ncc1O)F AB71303 [0,1,0,0,0,0|1,0,0]=2 741 B9R1.69 Cc1cc(nnc1Cl)C PB31877 [0,1,0,0,0,0|1,0,0]=2 742 B9R1.69 Cc1cc(nnc1Cl)Cl PB23168 [0,1,0,0,0,0|2,0,0]=3 743 B9R1.69 Cc1cc(nnc1O)O PB15638 [0,1,0,0,0,0|2,0,0]=3 744 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [0,1,0,0,0,0|2,0,0]=3 745 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [0,1,0,0,0,0|2,0,0]=3 746 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [0,1,0,0,0,0|2,0,0]=3 747 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [0,1,0,0,0,0|2,0,0]=3 748 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [0,1,0,0,0,0|2,0,0]=3 749 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [0,1,0,0,0,0|2,0,0]=3 750 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [0,1,0,0,0,0|2,0,0]=3 751 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,1,0,0,0,0|3,0,0]=4 752 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,1,0,0,0,0|3,0,0]=4 753 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,1,0,0,0,0|2,0,0]=3 754 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,1,0,0,0,0|3,0,0]=4 755 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,1,0,0,0,0|3,0,0]=4 756 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,1,0,0,0,0|3,0,0]=4 757 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,1,0,0,0,0|3,0,0]=4 758 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,1,0,0,0,0|3,0,0]=4 759 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,1,0,0,0,0|3,0,0]=4 760 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,1,0,0,0,0|3,0,0]=4 761 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,1,0,0,0,0|3,0,0]=4 762 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,1,0,0,0,0|3,0,0]=4 763 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,1,0,0,0,0|3,0,0]=4 764 B9R1.69 Cc1ccc(cc1I)O MB07177 [0,1,0,0,0,0|3,0,0]=4 765 B9R1.69 Cc1ccc(cc1O)Br MB05210 [0,1,0,0,0,0|3,0,0]=4 766 B9R1.69 Cc1ccc(cc1O)I MB12091 [0,1,0,0,0,0|3,0,0]=4 767 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,1,0,0,0,0|3,0,0]=4 768 B9R1.69 Cc1ccc(nc1C)Br AB64947 [0,1,0,0,0,0|3,0,0]=4 769 B9R1.69 Cc1ccc(nc1C)N AB23050 [0,1,0,0,0,0|3,0,0]=4 770 B9R1.69 Cc1ccc(nc1C)O AB54521 [0,1,0,0,0,0|3,0,0]=4 771 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,1,0,0,0,0|3,0,0]=4 772 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,1,0,0,0,0|3,0,0]=4 773 B9R1.69 Cc1cnc(c(n1)C)Br AB73101 [0,1,0,0,0,0|3,0,0]=4 774 B9R1.69 Cc1cnc(c(n1)C)Cl AB03542 [0,1,0,0,0,0|3,0,0]=4 775 B9R1.69 Cc1cnc(c(n1)C)N AB03436 [0,1,0,0,0,0|3,0,0]=4 776 B9R1.69 Cc1cnc(cc1Br)Cl AB63102 [0,1,0,0,0,0|2,0,0]=3 777 B9R1.69 Cc1cnc(cc1Br)F AB71091 [0,1,0,0,0,0|2,0,0]=3 778 B9R1.69 Cc1cnc(cc1Cl)Br AB63106 [0,1,0,0,0,0|2,0,0]=3 779 B9R1.69 Cc1cnc(cc1Cl)N AB63097 [0,1,0,0,0,0|2,0,0]=3 780 B9R1.69 Cc1cnc(cc1Cl)O AB71200 [0,1,0,0,0,0|2,0,0]=3 781 B9R1.69 Cc1cnc(cc1F)Br AB71082 [0,1,0,0,0,0|2,0,0]=3 782 B9R1.69 Cc1cnc(cc1F)N AB70899 [0,1,0,0,0,0|2,0,0]=3 783 B9R1.69 Cc1cnc(cc1F)O AB71320 [0,1,0,0,0,0|2,0,0]=3 784 B9R1.69 Cc1cnc(cc1N)Br AB63107 [0,1,0,0,0,0|2,0,0]=3 785 B9R1.69 Cc1cnc(cc1N)Cl AB65156 [0,1,0,0,0,0|2,0,0]=3 786 B9R1.69 Cc1cnc(cc1N)F AB82864 [0,1,0,0,0,0|2,0,0]=3 787 B9R1.69 Cc1cnc(cc1O)Cl AB71181 [0,1,0,0,0,0|2,0,0]=3 788 B9R1.69 Cc1cnc(cc1O)F AB71302 [0,1,0,0,0,0|2,0,0]=3 789 B9R1.69 Cc1cnc(nc1Cl)C AB51539 [0,1,0,0,0,0|2,0,0]=3 790 B9R1.69 Cc1cnc(nc1Cl)Cl PB17064 [0,1,0,0,0,0|3,0,0]=4 791 B9R1.69 Cc1cnc(nc1Cl)N PB24678 [0,1,0,0,0,0|3,0,0]=4 792 B9R1.69 Cc1cnc(nc1N)C AB54986 [0,1,0,0,0,0|2,0,0]=3 793 B9R1.69 Cc1cnc(nc1N)Cl PB10226 [0,1,0,0,0,0|3,0,0]=4 794 B9R1.69 Cc1cnc(nc1O)C AB21544 [0,1,0,0,0,0|2,0,0]=3 795 B9R1.69 Cc1ncc(c(n1)Cl)F AB52955 [0,1,0,0,0,0|2,0,0]=3 796 B9R1.69 Cc1ncc(c(n1)N)N AB70427 [0,1,0,0,0,0|2,0,0]=3 797 B9R1.69 Cc1ncc(c(n1)O)F AB04979 [0,1,0,0,0,0|2,0,0]=3 798 B9R1.69 Cn1cc(ccc1=O)Br PB32830 [0,1,0,0,0,0|3,0,0]=4 799 B9R1.69 Cn1cc(ccc1=O)N PB19693 [0,1,0,0,0,0|3,0,0]=4 800 B9R1.69 Cn1cc(ncc1=O)Br MB15013 [0,1,0,0,0,0|2,0,0]=3 801 B9R1.69 Cn1ccc(=O)c(c1)I MB19762 [0,1,0,0,0,0|3,0,0]=4 802 B9R1.69 Cn1ccc(cc1=O)Br PB26645 [0,1,0,0,0,0|2,0,1]=4 803 B9R1.69 Cn1ccc(cc1=O)Cl MB19760 [0,1,0,0,0,0|2,0,1]=4 804 B9R1.69 Cn1ccc(cc1=O)I MB14735 [0,1,0,0,0,0|2,0,1]=4 805 B9R1.69 Cn1ccc(cc1=O)N PB11442 [0,1,0,0,0,0|2,0,1]=4 806 B9R1.69 Cn1cnc(cc1=O)Cl MB01596 [0,1,0,0,0,0|3,0,0]=4 807 B9R1.69 c1c(c([nH]c(=O)n1)N)Br MB02162 [0,1,0,0,0,0|3,0,0]=4 808 B9R1.69 c1c(c(cnc1Br)Br)O AB63125 [0,1,0,0,0,0|2,0,0]=3 809 B9R1.69 c1c(c(cnc1Br)Cl)Cl AB63111 [0,1,0,0,0,0|2,0,0]=3 810 B9R1.69 c1c(c(cnc1Br)Cl)F AB63114 [0,1,0,0,0,0|2,0,0]=3 811 B9R1.69 c1c(c(cnc1Br)Cl)I AB70807 [0,1,0,0,0,0|2,0,0]=3 812 B9R1.69 c1c(c(cnc1Br)Cl)N AB65425 [0,1,0,0,0,0|2,0,0]=3 813 B9R1.69 c1c(c(cnc1Br)Cl)O AB69302 [0,1,0,0,0,0|2,0,0]=3 814 B9R1.69 c1c(c(cnc1Br)F)Cl AB63112 [0,1,0,0,0,0|2,0,0]=3 815 B9R1.69 c1c(c(cnc1Br)F)N AB05092 [0,1,0,0,0,0|2,0,0]=3 816 B9R1.69 c1c(c(cnc1Br)F)O AB69315 [0,1,0,0,0,0|2,0,0]=3 817 B9R1.69 c1c(c(cnc1Br)N)Cl AB75030 [0,1,0,0,0,0|2,0,0]=3 818 B9R1.69 c1c(c(cnc1Br)N)N AB63109 [0,1,0,0,0,0|2,0,0]=3 819 B9R1.69 c1c(c(cnc1Br)O)Cl AB74967 [0,1,0,0,0,0|2,0,0]=3 820 B9R1.69 c1c(c(cnc1Cl)Br)Cl AB49334 [0,1,0,0,0,0|2,0,0]=3 821 B9R1.69 c1c(c(cnc1Cl)Br)I AB55676 [0,1,0,0,0,0|2,0,0]=3 822 B9R1.69 c1c(c(cnc1Cl)Br)N PB26428 [0,1,0,0,0,0|2,0,0]=3 823 B9R1.69 c1c(c(cnc1Cl)Br)O AB69298 [0,1,0,0,0,0|2,0,0]=3 824 B9R1.69 c1c(c(cnc1Cl)Cl)I AB66762 [0,1,0,0,0,0|2,0,0]=3 825 B9R1.69 c1c(c(cnc1Cl)Cl)N AB62909 [0,1,0,0,0,0|2,0,0]=3 826 B9R1.69 c1c(c(cnc1Cl)Cl)O AB10186 [0,1,0,0,0,0|2,0,0]=3 827 B9R1.69 c1c(c(cnc1Cl)F)Br AB25947 [0,1,0,0,0,0|2,0,0]=3 828 B9R1.69 c1c(c(cnc1Cl)F)I AB13669 [0,1,0,0,0,0|2,0,0]=3 829 B9R1.69 c1c(c(cnc1Cl)F)N AB71414 [0,1,0,0,0,0|2,0,0]=3 830 B9R1.69 c1c(c(cnc1Cl)F)O AB69309 [0,1,0,0,0,0|2,0,0]=3 831 B9R1.69 c1c(c(cnc1Cl)I)N PB25202 [0,1,0,0,0,0|2,0,0]=3 832 B9R1.69 c1c(c(cnc1Cl)N)Cl AB05110 [0,1,0,0,0,0|2,0,0]=3 833 B9R1.69 c1c(c(cnc1Cl)N)N PB14373 [0,1,0,0,0,0|2,0,0]=3 834 B9R1.69 c1c(c(cnc1Cl)N)O AB69320 [0,1,0,0,0,0|2,0,0]=3 835 B9R1.69 c1c(c(cnc1Cl)O)Cl AB69698 [0,1,0,0,0,0|2,0,0]=3 836 B9R1.69 c1c(c(cnc1Cl)O)N AB69322 [0,1,0,0,0,0|2,0,0]=3 837 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [0,1,0,0,0,0|2,0,0]=3 838 B9R1.69 c1c(c(cnc1F)Br)Cl AB66391 [0,1,0,0,0,0|2,0,0]=3 839 B9R1.69 c1c(c(cnc1F)Br)N PB22736 [0,1,0,0,0,0|2,0,0]=3 840 B9R1.69 c1c(c(cnc1F)Cl)I AB17633 [0,1,0,0,0,0|2,0,0]=3 841 B9R1.69 c1c(c(cnc1F)N)Cl AB75066 [0,1,0,0,0,0|2,0,0]=3 842 B9R1.69 c1c(c(cnc1F)N)N AB51225 [0,1,0,0,0,0|2,0,0]=3 843 B9R1.69 c1c(c(cnc1F)O)Cl AB71151 [0,1,0,0,0,0|2,0,0]=3 844 B9R1.69 c1c(c(cnc1I)Br)Cl AB73519 [0,1,0,0,0,0|2,0,0]=3 845 B9R1.69 c1c(c(cnc1I)Br)F AB73522 [0,1,0,0,0,0|2,0,0]=3 846 B9R1.69 c1c(c(cnc1I)Cl)Cl AB70215 [0,1,0,0,0,0|2,0,0]=3 847 B9R1.69 c1c(c(cnc1N)Br)Cl PB17989 [0,1,0,0,0,0|2,0,0]=3 848 B9R1.69 c1c(c(cnc1N)Cl)Br AB70622 [0,1,0,0,0,0|2,0,0]=3 849 B9R1.69 c1c(c(cnc1N)Cl)Cl AB41930 [0,1,0,0,0,0|2,0,0]=3 850 B9R1.69 c1c(c(cnc1N)Cl)F AB82981 [0,1,0,0,0,0|2,0,0]=3 851 B9R1.69 c1c(c(cnc1N)Cl)I AB72299 [0,1,0,0,0,0|2,0,0]=3 852 B9R1.69 c1c(c(cnc1N)Cl)N AB70629 [0,1,0,0,0,0|2,0,0]=3 853 B9R1.69 c1c(c(cnc1N)Cl)O AB42978 [0,1,0,0,0,0|2,0,0]=3 854 B9R1.69 c1c(c(cnc1N)F)Cl AB83155 [0,1,0,0,0,0|2,0,0]=3 855 B9R1.69 c1c(c(cnc1N)N)Cl AB64825 [0,1,0,0,0,0|2,0,0]=3 856 B9R1.69 c1c(c(cnc1N)N)N AB60253 [0,1,0,0,0,0|2,0,0]=3 857 B9R1.69 c1c(c(cnc1N)O)Cl AB84009 [0,1,0,0,0,0|2,0,0]=3 858 B9R1.69 c1c(c(cnc1O)Cl)F AB71160 [0,1,0,0,0,0|2,0,0]=3 859 B9R1.69 c1c(c(cnc1O)Cl)N AB70866 [0,1,0,0,0,0|2,0,0]=3 860 B9R1.69 c1c(c(cnc1O)F)Cl AB71159 [0,1,0,0,0,0|2,0,0]=3 861 B9R1.69 c1c(c(cnc1O)N)Cl AB83889 [0,1,0,0,0,0|2,0,0]=3 862 B9R1.69 c1c(c(cnc1O)O)Cl AB84006 [0,1,0,0,0,0|2,0,0]=3 863 B9R1.69 c1c(c(nc(n1)Cl)Cl)Br AB03550 [0,1,0,0,0,0|3,0,0]=4 864 B9R1.69 c1c(c(nc(n1)Cl)Cl)Cl AB15936 [0,1,0,0,0,0|3,0,0]=4 865 B9R1.69 c1c(c(nc(n1)Cl)Cl)F AB05035 [0,1,0,0,0,0|3,0,0]=4 866 B9R1.69 c1c(c(nc(n1)Cl)Cl)I AB10498 [0,1,0,0,0,0|3,0,0]=4 867 B9R1.69 c1c(c(nc(n1)Cl)Cl)N AB21777 [0,1,0,0,0,0|3,0,0]=4 868 B9R1.69 c1c(c(nc(n1)Cl)I)Cl AB72376 [0,1,0,0,0,0|3,0,0]=4 869 B9R1.69 c1c(c(nc(n1)Cl)N)Br PB34247 [0,1,0,0,0,0|3,0,0]=4 870 B9R1.69 c1c(c(nc(n1)Cl)N)N AB02042 [0,1,0,0,0,0|3,0,0]=4 871 B9R1.69 c1c(c(nnc1Cl)Cl)Cl PB23189 [0,1,0,0,0,0|3,0,0]=4 872 B9R1.69 c1c(c(nnc1Cl)Cl)F PB15516 [0,1,0,0,0,0|3,0,0]=4 873 B9R1.69 c1c(c(nnc1Cl)Cl)I AB72089 [0,1,0,0,0,0|3,0,0]=4 874 B9R1.69 c1c(c(nnc1Cl)Cl)N PB32267 [0,1,0,0,0,0|3,0,0]=4 875 B9R1.69 c1c(c(nnc1Cl)N)Br PB19166 [0,1,0,0,0,0|3,0,0]=4 876 B9R1.69 c1cc(c(cc1Br)Br)I AB51495 [0,1,0,0,0,0|3,0,0]=4 877 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [0,1,0,0,0,0|3,0,0]=4 878 B9R1.69 c1cc(c(cc1Br)I)N AB10839 [0,1,0,0,0,0|3,0,0]=4 879 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [0,1,0,0,0,0|3,0,0]=4 880 B9R1.69 c1cc(c(cc1Br)N)I AB51497 [0,1,0,0,0,0|3,0,0]=4 881 B9R1.69 c1cc(c(cc1Br)N)N AB11949 [0,1,0,0,0,0|3,0,0]=4 882 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [0,1,0,0,0,0|3,0,0]=4 883 B9R1.69 c1cc(c(cc1Br)N)S AB54823 [0,1,0,0,0,0|3,0,0]=4 884 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [0,1,0,0,0,0|3,0,0]=4 885 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [0,1,0,0,0,0|3,0,0]=4 886 B9R1.69 c1cc(c(cc1Br)S)N AB07437 [0,1,0,0,0,0|3,0,0]=4 887 B9R1.69 c1cc(c(cc1Cl)I)N PB21792 [0,1,0,0,0,0|3,0,0]=4 888 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [0,1,0,0,0,0|3,0,0]=4 889 B9R1.69 c1cc(c(cc1Cl)N)I AB28269 [0,1,0,0,0,0|3,0,0]=4 890 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [0,1,0,0,0,0|3,0,0]=4 891 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [0,1,0,0,0,0|3,0,0]=4 892 B9R1.69 c1cc(c(cc1Cl)S)N AB13353 [0,1,0,0,0,0|3,0,0]=4 893 B9R1.69 c1cc(c(cc1F)F)I MB00398 [0,1,0,0,0,0|3,0,0]=4 894 B9R1.69 c1cc(c(cc1F)I)N AB01932 [0,1,0,0,0,0|3,0,0]=4 895 B9R1.69 c1cc(c(cc1F)I)O MB14767 [0,1,0,0,0,0|3,0,0]=4 896 B9R1.69 c1cc(c(cc1F)N)N AB01910 [0,1,0,0,0,0|3,0,0]=4 897 B9R1.69 c1cc(c(cc1F)N)S AB54821 [0,1,0,0,0,0|3,0,0]=4 898 B9R1.69 c1cc(c(cc1F)O)I MB25431 [0,1,0,0,0,0|3,0,0]=4 899 B9R1.69 c1cc(c(cc1F)S)N AB54817 [0,1,0,0,0,0|3,0,0]=4 900 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [0,1,0,0,0,0|3,0,0]=4 901 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [0,1,0,0,0,0|3,0,0]=4 902 B9R1.69 c1cc(c(cc1I)F)O MB09308 [0,1,0,0,0,0|3,0,0]=4 903 B9R1.69 c1cc(c(cc1I)I)O MB01999 [0,1,0,0,0,0|3,0,0]=4 904 B9R1.69 c1cc(c(cc1I)N)Cl AB64100 [0,1,0,0,0,0|3,0,0]=4 905 B9R1.69 c1cc(c(cc1I)N)O MB14432 [0,1,0,0,0,0|3,0,0]=4 906 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [0,1,0,0,0,0|3,0,0]=4 907 B9R1.69 c1cc(c(cc1I)O)F MB14983 [0,1,0,0,0,0|3,0,0]=4 908 B9R1.69 c1cc(c(cc1I)O)I MB07529 [0,1,0,0,0,0|3,0,0]=4 909 B9R1.69 c1cc(c(cc1I)O)N MB14436 [0,1,0,0,0,0|3,0,0]=4 910 B9R1.69 c1cc(c(cc1N)Cl)I AB02146 [0,1,0,0,0,0|3,0,0]=4 911 B9R1.69 c1cc(c(cc1N)F)Cl AB08243 [0,1,0,0,0,0|3,0,0]=4 912 B9R1.69 c1cc(c(cc1N)F)I AB42340 [0,1,0,0,0,0|3,0,0]=4 913 B9R1.69 c1cc(c(cc1N)F)N MB08293 [0,1,0,0,0,0|3,0,0]=4 914 B9R1.69 c1cc(c(cc1N)I)Cl MB09944 [0,1,0,0,0,0|3,0,0]=4 915 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [0,1,0,0,0,0|3,0,0]=4 916 B9R1.69 c1cc(c(cc1N)O)F MB13362 [0,1,0,0,0,0|3,0,0]=4 917 B9R1.69 c1cc(c(cc1N)O)I MB37209 [0,1,0,0,0,0|3,0,0]=4 918 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [0,1,0,0,0,0|3,0,0]=4 919 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [0,1,0,0,0,0|3,0,0]=4 920 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [0,1,0,0,0,0|3,0,0]=4 921 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [0,1,0,0,0,0|3,0,0]=4 922 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [0,1,0,0,0,0|3,0,0]=4 923 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [0,1,0,0,0,0|3,0,0]=4 924 B9R1.69 c1cc(c(cc1O)F)I MB11930 [0,1,0,0,0,0|3,0,0]=4 925 B9R1.69 c1cc(c(cc1O)F)N AB09438 [0,1,0,0,0,0|3,0,0]=4 926 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [0,1,0,0,0,0|3,0,0]=4 927 B9R1.69 c1cc(c(cc1O)I)F MB25606 [0,1,0,0,0,0|3,0,0]=4 928 B9R1.69 c1cc(c(cc1O)I)I MB25449 [0,1,0,0,0,0|3,0,0]=4 929 B9R1.69 c1cc(c(cc1O)I)N MB25412 [0,1,0,0,0,0|3,0,0]=4 930 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [0,1,0,0,0,0|3,0,0]=4 931 B9R1.69 c1cc(c(cc1O)N)I MB13452 [0,1,0,0,0,0|3,0,0]=4 932 B9R1.69 c1cc(c(cc1O)N)N MB04238 [0,1,0,0,0,0|3,0,0]=4 933 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,0,1,0,0,0|2,0,1]=4 934 B7R1.2 CC1=NC(=NC1)Br AB26590 [0,0,0,0,1,0|2,0,1]=4 935 B7R1.2 CC1=NC(=NC1)Cl AB53096 [0,0,0,0,1,0|2,0,1]=4 936 B7R1.2 CC1=NC(=NC1)N AB27175 [0,0,0,0,1,0|2,0,1]=4 937 B7R1.2 CC1=NC(=NC1)N AB27178 [0,0,0,0,1,0|2,0,1]=4 938 B7R1.2 CC1=NC(=O)N=C1 AB05017 [0,0,0,0,1,0|2,0,0]=3 939 B7R1.2 CC1=NN=C(C1)Br AB63797 [0,0,0,0,1,0|2,0,1]=4 940 B7R1.2 CC1=NN=C(C1)Cl PB14164 [0,0,0,0,1,0|2,0,1]=4 941 B7R1.2 CC1=NN=C(C1)N PB33812 [0,0,0,0,1,0|2,0,1]=4 942 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [0,0,0,0,1,0|2,0,0]=3 943 B7R1.2 Cc1[nH]c(nn1)S AB06112 [0,0,0,0,1,0|3,0,0]=4 944 B7R1.2 Cc1[nH]cc(n1)Br AB14336 [0,0,0,0,1,0|2,0,1]=4 945 B7R1.2 Cc1[nH]cc(n1)N AB60590 [0,0,0,0,1,0|2,0,1]=4 946 B7R1.2 Cc1[nH]nc(n1)C PB23188 [0,0,0,0,1,0|2,0,0]=3 947 B7R1.2 Cc1cc(cs1)Br AB20690 [0,0,0,0,1,0|2,0,0]=3 948 B7R1.2 Cc1cc(no1)N PB28932 [0,0,0,0,1,0|2,0,0]=3 949 B7R1.2 Cc1cc(on1)N MB00134 [0,0,0,0,1,0|2,0,0]=3 950 B7R1.2 Cc1cc(sc1)C CB10250 [0,0,0,0,1,0|1,0,0]=2 951 B7R1.2 Cc1ccc(o1)Br AB64979 [0,0,0,0,1,0|2,0,0]=3 952 B7R1.2 Cc1ccn(n1)C PB27396 [0,0,0,0,1,0|2,0,0]=3 953 B7R1.2 Cc1cnc(o1)Br AB71573 [0,0,0,0,1,0|2,0,0]=3 954 B7R1.2 Cc1cnc(o1)C AB72158 [0,0,0,0,1,0|1,0,0]=2 955 B7R1.2 Cc1cnc(o1)Cl AB53091 [0,0,0,0,1,0|2,0,0]=3 956 B7R1.2 Cc1cnc(o1)N AB52683 [0,0,0,0,1,0|2,0,0]=3 957 B7R1.2 Cc1cnc(o1)O AB53086 [0,0,0,0,1,0|2,0,0]=3 958 B7R1.2 Cc1cnc(s1)Br AB45716 [0,0,0,0,1,0|2,0,0]=3 959 B7R1.2 Cc1cnc(s1)Cl AB13892 [0,0,0,0,1,0|2,0,0]=3 960 B7R1.2 Cc1cnc(s1)N AB03001 [0,0,0,0,1,0|2,0,0]=3 961 B7R1.2 Cc1cnc(s1)O AB53102 [0,0,0,0,1,0|2,0,0]=3 962 B7R1.2 Cc1coc(n1)Br AB68303 [0,0,0,0,1,0|3,0,0]=4 963 B7R1.2 Cc1coc(n1)Cl AB68302 [0,0,0,0,1,0|3,0,0]=4 964 B7R1.2 Cc1coc(n1)N PB17112 [0,0,0,0,1,0|3,0,0]=4 965 B7R1.2 Cc1csc(n1)Br PB26224 [0,0,0,0,1,0|3,0,0]=4 966 B7R1.2 Cc1csc(n1)N AB00403 [0,0,0,0,1,0|3,0,0]=4 967 B7R1.2 Cc1nc(co1)N MB11373 [0,0,0,0,1,0|3,0,0]=4 968 B7R1.2 Cc1nc(cs1)Br AB23819 [0,0,0,0,1,0|3,0,0]=4 969 B7R1.2 Cc1nc(no1)Cl AB76625 [0,0,0,0,1,0|3,0,0]=4 970 B7R1.2 Cc1nc(no1)N AB44303 [0,0,0,0,1,0|3,0,0]=4 971 B7R1.2 Cc1nc(ns1)Cl AB76996 [0,0,0,0,1,0|3,0,0]=4 972 B7R1.2 Cc1nc(on1)C AB44073 [0,0,0,0,1,0|2,0,0]=3 973 B7R1.2 Cc1nc(on1)Cl AB44075 [0,0,0,0,1,0|3,0,0]=4 974 B7R1.2 Cc1nc(on1)N AB44302 [0,0,0,0,1,0|3,0,0]=4 975 B7R1.2 Cc1nc(on1)O AB50309 [0,0,0,0,1,0|3,0,0]=4 976 B7R1.2 Cc1nc(sn1)Cl MB05736 [0,0,0,0,1,0|3,0,0]=4 977 B7R1.2 Cc1ncc(o1)N MB11377 [0,0,0,0,1,0|2,0,0]=3 978 B7R1.2 Cc1ncc(s1)Br AB54339 [0,0,0,0,1,0|2,0,0]=3 979 B7R1.2 Cc1nnc(o1)N PB23353 [0,0,0,0,1,0|3,0,0]=4 980 B7R1.2 Cn1cc(cn1)Br PB34028 [0,0,0,0,1,0|2,0,0]=3 981 B7R1.2 Cn1cc(cn1)F AB68792 [0,0,0,0,1,0|2,0,0]=3 982 B7R1.2 Cn1cc(cn1)N PB29344 [0,0,0,0,1,0|2,0,0]=3 983 B7R1.2 Cn1cc(nc1)I PB23238 [0,0,0,0,1,0|2,0,0]=3 984 B7R1.2 Cn1cc(nc1)N AB11896 [0,0,0,0,1,0|2,0,0]=3 985 B7R1.2 Cn1cc(nn1)Br AB57103 [0,0,0,0,1,0|3,0,0]=4 986 B7R1.2 Cn1ccc(c1)Br AB63663 [0,0,0,0,1,0|2,0,0]=3 987 B7R1.2 Cn1ccc(n1)Br PB19136 [0,0,0,0,1,0|3,0,0]=4 988 B7R1.2 Cn1ccc(n1)I PB26365 [0,0,0,0,1,0|3,0,0]=4 989 B7R1.2 Cn1ccc(n1)N PB12171 [0,0,0,0,1,0|3,0,0]=4 990 B7R1.2 c1c(csc1Cl)N PB15475 [0,0,0,0,1,0|3,0,0]=4 991 B7R1.2 c1c(sc(n1)Br)Cl PB17692 [0,0,0,0,1,0|3,0,0]=4 992 B7R1.2 c1c(sc(n1)Br)F PB13624 [0,0,0,0,1,0|3,0,0]=4 993 B7R1.2 c1c(sc(n1)Br)N AB53265 [0,0,0,0,1,0|3,0,0]=4 994 B7R1.2 c1c(sc(n1)Cl)Br MB14237 [0,0,0,0,1,0|3,0,0]=4 995 B7R1.2 c1c(sc(n1)Cl)Cl PB16960 [0,0,0,0,1,0|3,0,0]=4 996 B7R1.2 c1c(sc(n1)F)Br MB14245 [0,0,0,0,1,0|3,0,0]=4 997 B7R1.2 c1c(sc(n1)N)Cl PB27400 [0,0,0,0,1,0|3,0,0]=4 998 B7R1.2 c1c(sc(n1)N)F PB24037 [0,0,0,0,1,0|3,0,0]=4 999 B7R1.2 c1c(sc(n1)N)N AB53268 [0,0,0,0,1,0|3,0,0]=4 1000 B7R1.4 CC1=C(C=NC1)C PB27606 [0,0,0,0,1,0|2,0,0]=3 1001 B7R1.4 CC1=C(N=NC1)Br PB11022 [0,0,0,0,1,0|2,0,1]=4 1002 B7R1.4 CC1=C(N=NC1)N AB44283 [0,0,0,0,1,0|2,0,1]=4 1003 B7R1.4 CC1=C(N=NC1)N AB72239 [0,0,0,0,1,0|2,0,1]=4 1004 B7R1.4 CC1=NC=NC1Br AB26578 [0,0,0,0,1,0|2,0,1]=4 1005 B7R1.4 CC1=NC=NC1N MB11358 [0,0,0,0,1,0|2,0,1]=4 1006 B7R1.4 CC1=NN=CC1Br CB10025 [0,0,0,0,1,0|2,0,1]=4 1007 B7R1.4 CC1=NN=CC1N MB09907 [0,0,0,0,1,0|2,0,1]=4 1008 B7R1.4 CC1C(=NC=N1)C AB09621 [0,0,0,0,1,0|1,0,1]=3 1009 B7R1.4 Cc1c(cco1)N AB71442 [0,0,0,0,1,0|2,0,0]=3 1010 B7R1.4 Cc1c(cno1)N MB10128 [0,0,0,0,1,0|3,0,0]=4 1011 B7R1.4 Cc1c(con1)N MB11367 [0,0,0,0,1,0|2,0,0]=3 1012 B7R1.4 Cc1c(nco1)N MB11380 [0,0,0,0,1,0|2,0,0]=3 1013 B7R1.4 Cc1c(ocn1)C AB63543 [0,0,0,0,1,0|1,0,0]=2 1014 B7R1.4 Cc1c(ocn1)N MB11381 [0,0,0,0,1,0|2,0,0]=3 1015 B7R1.4 Cc1ccsc1Br PB25943 [0,0,0,0,1,0|2,0,0]=3 1016 B7R1.4 Cc1cnoc1N MB11360 [0,0,0,0,1,0|3,0,0]=4 1017 B7R1.4 Cc1conc1N MB11363 [0,0,0,0,1,0|2,0,0]=3 1018 B7R1.4 Cc1nccn1N AB44383 [0,0,0,0,1,0|2,0,0]=3 1019 B7R1.4 Cn1c(ccn1)N PB33809 [0,0,0,0,1,0|2,0,0]=3 1020 B7R1.4 Cn1c(cnn1)Br AB69597 [0,0,0,0,1,0|3,0,0]=4 1021 B7R1.4 Cn1c(cnn1)I AB69606 [0,0,0,0,1,0|3,0,0]=4 1022 B7R1.4 Cn1ccnc1Br AB11315 [0,0,0,0,1,0|2,0,0]=3 1023 B7R1.4 Cn1ccnc1Cl AB11324 [0,0,0,0,1,0|2,0,0]=3 1024 B7R1.4 Cn1ccnc1I PB32223 [0,0,0,0,1,0|2,0,0]=3 1025 B7R1.4 Cn1ccnc1N AB59774 [0,0,0,0,1,0|2,0,0]=3 1026 B7R1.4 Cn1cnnc1Br AB57304 [0,0,0,0,1,0|3,0,0]=4 1027 B7R1.4 c1[nH]c(c(n1)Br)Br AB03286 [0,0,0,0,1,0|3,0,0]=4 1028 B7R1.4 c1[nH]c(c(n1)I)I AB07820 [0,0,0,0,1,0|3,0,0]=4 1029 B7R1.4 c1coc(c1N)Br AB71394 [0,0,0,0,1,0|3,0,0]=4 1030 B6R0.4 CC(=O)\C=C\OC AB00959 [1,0,1,0,0,0|2,0,0]=4 1031 B8R1.2 C#Cc1ccccn1 PB17077 [1,1,0,0,0,0|0,0,1]=3 1032 B8R1.2 C#Cc1cccnn1 PB34819 [1,1,0,0,0,0|1,0,1]=4 1033 B8R1.2 C#Cc1ccncc1 PB29291 [1,1,0,0,0,0|0,0,1]=3 1034 B8R1.2 C#Cc1ccncn1 AB69106 [1,1,0,0,0,0|1,0,1]=4 1035 B8R1.2 C#Cc1cnccn1 PB18058 [1,1,0,0,0,0|1,0,1]=4 1036 B8R1.2 C#Cc1ncccn1 AB61370 [1,1,0,0,0,0|1,0,1]=4 1037 B8R1.2 CNc1cccnc1 AB09114 [1,1,0,0,0,0|2,0,0]=4 1038 B8R1.2 CNc1ccncn1 AB60623 [1,1,0,0,0,0|1,0,0]=3 1039 B8R1.2 CNc1ncccn1 AB05135 [1,1,0,0,0,0|1,0,0]=3 1040 B8R1.2 COc1cccnc1 AB06864 [1,1,0,0,0,0|2,0,0]=4 1041 B8R1.2 COc1cccnn1 AB05130 [1,1,0,0,0,0|1,0,0]=3 1042 B8R1.2 COc1ccnnc1 AB44150 [1,1,0,0,0,0|1,0,0]=3 1043 B8R1.2 c1cc(cnc1)CCl AB01984 [1,1,0,0,0,0|2,0,0]=4 1044 B8R1.2 c1cc(cnc1)CN AB00752 [1,1,0,0,0,0|2,0,0]=4 1045 B8R1.2 c1cc(nnc1)C#N PB19049 [1,1,0,0,0,0|1,0,1]=4 1046 B8R1.2 c1cc(nnc1)C=O PB20119 [1,1,0,0,0,0|1,0,1]=4 1047 B8R1.2 c1cc(nnc1)CCl PB28814 [1,1,0,0,0,0|1,0,0]=3 1048 B8R1.2 c1cc(nnc1)CN PB29341 [1,1,0,0,0,0|1,0,0]=3 1049 B8R1.2 c1cc(nnc1)CO PB30818 [1,1,0,0,0,0|1,0,0]=3 1050 B8R1.2 c1ccnc(c1)C=O AB00680 [1,1,0,0,0,0|0,0,1]=3 1051 B8R1.2 c1ccnc(c1)CBr MB02148 [1,1,0,0,0,0|0,0,0]=2 1052 B8R1.2 c1ccnc(c1)CCl AB22495 [1,1,0,0,0,0|0,0,0]=2 1053 B8R1.2 c1ccnc(c1)CN AB00731 [1,1,0,0,0,0|0,0,0]=2 1054 B8R1.2 c1cnc(cn1)C#N AB02102 [1,1,0,0,0,0|1,0,1]=4 1055 B8R1.2 c1cnc(cn1)C=O PB19982 [1,1,0,0,0,0|1,0,1]=4 1056 B8R1.2 c1cnc(cn1)CCl PB20483 [1,1,0,0,0,0|1,0,0]=3 1057 B8R1.2 c1cnc(cn1)CN PB14180 [1,1,0,0,0,0|1,0,0]=3 1058 B8R1.2 c1cnc(cn1)CO PB21779 [1,1,0,0,0,0|1,0,0]=3 1059 B8R1.2 c1cnc(cn1)NN PB12798 [1,1,0,0,0,0|2,0,0]=4 1060 B8R1.2 c1cnc(nc1)C#N PB27459 [1,1,0,0,0,0|1,0,1]=4 1061 B8R1.2 c1cnc(nc1)C=O PB34235 [1,1,0,0,0,0|1,0,1]=4 1062 B8R1.2 c1cnc(nc1)CCl PB20403 [1,1,0,0,0,0|1,0,0]=3 1063 B8R1.2 c1cnc(nc1)CN CB11589 [1,1,0,0,0,0|1,0,0]=3 1064 B8R1.2 c1cnc(nc1)CN PB23443 [1,1,0,0,0,0|1,0,0]=3 1065 B8R1.2 c1cnc(nc1)CO PB12410 [1,1,0,0,0,0|1,0,0]=3 1066 B8R1.2 c1cnc(nc1)NN PB10192 [1,1,0,0,0,0|2,0,0]=4 1067 B8R1.2 c1cnccc1C=O AB00754 [1,1,0,0,0,0|0,0,1]=3 1068 B8R1.2 c1cnccc1CCl AB15539 [1,1,0,0,0,0|0,0,0]=2 1069 B8R1.2 c1cnccc1CN AB00767 [1,1,0,0,0,0|0,0,0]=2 1070 B8R1.2 c1cnccc1NN PB27392 [1,1,0,0,0,0|1,0,0]=3 1071 B8R1.2 c1cnccc1ON AB31585 [1,1,0,0,0,0|1,0,0]=3 1072 B8R1.2 c1cncnc1C=O AB16150 [1,1,0,0,0,0|1,0,1]=4 1073 B8R1.2 c1cncnc1CCl AB58895 [1,1,0,0,0,0|1,0,0]=3 1074 B8R1.2 c1cncnc1CN PB10439 [1,1,0,0,0,0|1,0,0]=3 1075 B8R1.2 c1cncnc1CO PB12296 [1,1,0,0,0,0|1,0,0]=3 1076 B8R1.2 c1cnncc1C#N PB16131 [1,1,0,0,0,0|1,0,1]=4 1077 B8R1.2 c1cnncc1C=O PB17346 [1,1,0,0,0,0|1,0,1]=4 1078 B8R1.2 c1cnncc1CN PB31361 [1,1,0,0,0,0|1,0,0]=3 1079 B8R1.2 c1cnncc1CO PB26178 [1,1,0,0,0,0|1,0,0]=3 1080 B8R1.2 c1ncnc(n1)CCl AB73492 [1,1,0,0,0,0|2,0,0]=4 1081 B8R1.2 c1ncnc(n1)CN AB60787 [1,1,0,0,0,0|2,0,0]=4 1082 B8R1.3 C1C=C(C=NC1=S)N AB31875 [1,1,0,0,0,0|1,0,1]=4 1083 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [1,1,0,0,0,0|1,0,0]=3 1084 B8R1.3 Cc1ccc(cn1)Br AB06624 [1,1,0,0,0,0|0,0,0]=2 1085 B8R1.3 Cc1ccc(cn1)Cl AB17956 [1,1,0,0,0,0|0,0,0]=2 1086 B8R1.3 Cc1ccc(cn1)F PB18589 [1,1,0,0,0,0|0,0,0]=2 1087 B8R1.3 Cc1ccc(cn1)N PB32227 [1,1,0,0,0,0|0,0,0]=2 1088 B8R1.3 Cc1ccc(cn1)O PB30543 [1,1,0,0,0,0|0,0,0]=2 1089 B8R1.3 Cc1ccc(nc1)Br PB17145 [1,1,0,0,0,0|1,0,0]=3 1090 B8R1.3 Cc1ccc(nc1)Cl AB07104 [1,1,0,0,0,0|1,0,0]=3 1091 B8R1.3 Cc1ccc(nc1)F AB01857 [1,1,0,0,0,0|1,0,0]=3 1092 B8R1.3 Cc1ccc(nc1)N AB17938 [1,1,0,0,0,0|1,0,0]=3 1093 B8R1.3 Cc1ccc(nc1)O AB13138 [1,1,0,0,0,0|1,0,0]=3 1094 B8R1.3 Cc1ccc(nn1)Br PB26503 [1,1,0,0,0,0|1,0,0]=3 1095 B8R1.3 Cc1ccc(nn1)Cl PB20885 [1,1,0,0,0,0|1,0,0]=3 1096 B8R1.3 Cc1ccc(nn1)I PB11607 [1,1,0,0,0,0|1,0,0]=3 1097 B8R1.3 Cc1ccc(nn1)N PB33947 [1,1,0,0,0,0|1,0,0]=3 1098 B8R1.3 Cc1cnc(cn1)Br PB27954 [1,1,0,0,0,0|1,0,0]=3 1099 B8R1.3 Cc1cnc(cn1)Cl AB02272 [1,1,0,0,0,0|1,0,0]=3 1100 B8R1.3 Cc1cnc(cn1)N PB32613 [1,1,0,0,0,0|1,0,0]=3 1101 B8R1.3 Cc1cnc(nc1)Cl PB25116 [1,1,0,0,0,0|2,0,0]=4 1102 B8R1.3 Cc1cnc(nc1)N AB06143 [1,1,0,0,0,0|2,0,0]=4 1103 B8R1.3 Cc1ncc(cn1)Br PB18804 [1,1,0,0,0,0|1,0,0]=3 1104 B8R1.3 Cc1ncc(cn1)Cl AB56396 [1,1,0,0,0,0|1,0,0]=3 1105 B8R1.3 Cc1ncc(cn1)N PB10666 [1,1,0,0,0,0|1,0,0]=3 1106 B8R1.3 Cc1ncc(cn1)O AB54467 [1,1,0,0,0,0|1,0,0]=3 1107 B8R1.3 c1c(cnc(n1)Br)F PB19026 [1,1,0,0,0,0|2,0,0]=4 1108 B8R1.3 c1c(cnc(n1)Br)N PB24997 [1,1,0,0,0,0|2,0,0]=4 1109 B8R1.3 c1c(cnc(n1)Br)O PB31459 [1,1,0,0,0,0|2,0,0]=4 1110 B8R1.3 c1c(cnc(n1)Cl)Br PB21707 [1,1,0,0,0,0|2,0,0]=4 1111 B8R1.3 c1c(cnc(n1)Cl)Cl PB33909 [1,1,0,0,0,0|2,0,0]=4 1112 B8R1.3 c1c(cnc(n1)Cl)F PB15753 [1,1,0,0,0,0|2,0,0]=4 1113 B8R1.3 c1c(cnc(n1)Cl)I AB23016 [1,1,0,0,0,0|2,0,0]=4 1114 B8R1.3 c1c(cnc(n1)Cl)N PB21893 [1,1,0,0,0,0|2,0,0]=4 1115 B8R1.3 c1c(cnc(n1)Cl)O PB12674 [1,1,0,0,0,0|2,0,0]=4 1116 B8R1.3 c1c(cnc(n1)F)Br AB42957 [1,1,0,0,0,0|2,0,0]=4 1117 B8R1.3 c1c(cnc(n1)I)Br PB12227 [1,1,0,0,0,0|2,0,0]=4 1118 B8R1.3 c1c(cnc(n1)N)Br PB10032 [1,1,0,0,0,0|2,0,0]=4 1119 B8R1.3 c1c(cnc(n1)N)Cl AB01163 [1,1,0,0,0,0|2,0,0]=4 1120 B8R1.3 c1c(cnc(n1)N)O PB32565 [1,1,0,0,0,0|2,0,0]=4 1121 B8R1.3 c1c(cnc(n1)O)Br AB05049 [1,1,0,0,0,0|2,0,0]=4 1122 B8R1.3 c1c(cnc(n1)O)Cl AB03656 [1,1,0,0,0,0|2,0,0]=4 1123 B8R1.3 c1c(ncc(n1)Br)Br PB17488 [1,1,0,0,0,0|2,0,0]=4 1124 B8R1.3 c1c(ncc(n1)Br)Cl PB26374 [1,1,0,0,0,0|2,0,0]=4 1125 B8R1.3 c1c(ncc(n1)Br)F MB14114 [1,1,0,0,0,0|2,0,0]=4 1126 B8R1.3 c1c(ncc(n1)Br)N PB26019 [1,1,0,0,0,0|2,0,0]=4 1127 B8R1.3 c1c(ncc(n1)Br)O PB26179 [1,1,0,0,0,0|2,0,0]=4 1128 B8R1.3 c1c(ncc(n1)Cl)Cl PB21866 [1,1,0,0,0,0|2,0,0]=4 1129 B8R1.3 c1c(ncc(n1)Cl)F AB50800 [1,1,0,0,0,0|2,0,0]=4 1130 B8R1.3 c1c(ncc(n1)Cl)N PB14352 [1,1,0,0,0,0|2,0,0]=4 1131 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [1,1,0,0,0,0|2,0,0]=4 1132 B8R1.3 c1c(ncc(n1)F)F AB85705 [1,1,0,0,0,0|2,0,0]=4 1133 B8R1.3 c1c(ncc(n1)I)Br PB27853 [1,1,0,0,0,0|2,0,0]=4 1134 B8R1.3 c1c(ncc(n1)I)Cl AB54777 [1,1,0,0,0,0|2,0,0]=4 1135 B8R1.3 c1c(ncc(n1)N)N AB53076 [1,1,0,0,0,0|2,0,0]=4 1136 B8R1.3 c1c(ncc(n1)O)O AB44015 [1,1,0,0,0,0|2,0,0]=4 1137 B8R1.3 c1c[n+](ccc1F)[O-] PB19565 [1,1,0,0,0,0|1,0,1]=4 1138 B8R1.3 c1cc(ncc1Br)Br AB00634 [1,1,0,0,0,0|1,0,0]=3 1139 B8R1.3 c1cc(ncc1Br)Cl AB08767 [1,1,0,0,0,0|1,0,0]=3 1140 B8R1.3 c1cc(ncc1Br)F PB30707 [1,1,0,0,0,0|1,0,0]=3 1141 B8R1.3 c1cc(ncc1Br)N PB30536 [1,1,0,0,0,0|1,0,0]=3 1142 B8R1.3 c1cc(ncc1Br)O AB05097 [1,1,0,0,0,0|1,0,0]=3 1143 B8R1.3 c1cc(ncc1Br)S AB51097 [1,1,0,0,0,0|1,0,0]=3 1144 B8R1.3 c1cc(ncc1Cl)Br AB05069 [1,1,0,0,0,0|1,0,0]=3 1145 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [1,1,0,0,0,0|1,0,0]=3 1146 B8R1.3 c1cc(ncc1Cl)F AB17577 [1,1,0,0,0,0|1,0,0]=3 1147 B8R1.3 c1cc(ncc1Cl)I AB32114 [1,1,0,0,0,0|1,0,0]=3 1148 B8R1.3 c1cc(ncc1Cl)N AB00712 [1,1,0,0,0,0|1,0,0]=3 1149 B8R1.3 c1cc(ncc1F)Br PB17160 [1,1,0,0,0,0|1,0,0]=3 1150 B8R1.3 c1cc(ncc1F)I AB42989 [1,1,0,0,0,0|1,0,0]=3 1151 B8R1.3 c1cc(ncc1F)N AB10107 [1,1,0,0,0,0|1,0,0]=3 1152 B8R1.3 c1cc(ncc1I)Br PB14333 [1,1,0,0,0,0|1,0,0]=3 1153 B8R1.3 c1cc(ncc1I)Cl AB10394 [1,1,0,0,0,0|1,0,0]=3 1154 B8R1.3 c1cc(ncc1I)N PB25985 [1,1,0,0,0,0|1,0,0]=3 1155 B8R1.3 c1cc(ncc1I)O AB05112 [1,1,0,0,0,0|1,0,0]=3 1156 B8R1.3 c1cc(ncc1N)Br PB17224 [1,1,0,0,0,0|1,0,0]=3 1157 B8R1.3 c1cc(ncc1N)Cl AB00661 [1,1,0,0,0,0|1,0,0]=3 1158 B8R1.3 c1cc(ncc1N)F PB33962 [1,1,0,0,0,0|1,0,0]=3 1159 B8R1.3 c1cc(ncc1N)O AB15078 [1,1,0,0,0,0|1,0,0]=3 1160 B8R1.3 c1cc(ncc1O)Br PB15771 [1,1,0,0,0,0|1,0,0]=3 1161 B8R1.3 c1cc(ncc1O)Cl PB32188 [1,1,0,0,0,0|1,0,0]=3 1162 B8R1.3 c1cc(ncc1O)F AB08123 [1,1,0,0,0,0|1,0,0]=3 1163 B8R1.3 c1cc(ncc1O)I AB50021 [1,1,0,0,0,0|1,0,0]=3 1164 B8R1.3 c1cc(ncc1O)N AB15563 [1,1,0,0,0,0|1,0,0]=3 1165 B8R1.3 c1cc(nnc1Br)Br PB10150 [1,1,0,0,0,0|2,0,0]=4 1166 B8R1.3 c1cc(nnc1Cl)I PB14577 [1,1,0,0,0,0|2,0,0]=4 1167 B8R1.3 c1cc(nnc1N)Br PB12750 [1,1,0,0,0,0|2,0,0]=4 1168 B8R1.3 c1cc(nnc1N)Cl PB30569 [1,1,0,0,0,0|2,0,0]=4 1169 B8R1.3 c1cc(nnc1N)I PB29756 [1,1,0,0,0,0|2,0,0]=4 1170 B8R1.3 c1cc(nnc1O)Cl PB29050 [1,1,0,0,0,0|2,0,0]=4 1171 B8R1.5 CC1C=CN=NC1=O PB32620 [1,1,0,0,0,0|1,0,1]=4 1172 B8R1.5 Cc1c(cccn1)Br PB27472 [1,1,0,0,0,0|0,0,0]=2 1173 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,1,0,0,0,0|0,0,0]=2 1174 B8R1.5 Cc1c(cccn1)F AB48604 [1,1,0,0,0,0|0,0,0]=2 1175 B8R1.5 Cc1c(cccn1)N PB33695 [1,1,0,0,0,0|0,0,0]=2 1176 B8R1.5 Cc1c(cccn1)O PB18442 [1,1,0,0,0,0|0,0,0]=2 1177 B8R1.5 Cc1c(ccnn1)N MB11382 [1,1,0,0,0,0|1,0,0]=3 1178 B8R1.5 Cc1c(cncn1)Br PB26552 [1,1,0,0,0,0|1,0,0]=3 1179 B8R1.5 Cc1c(cncn1)N PB26435 [1,1,0,0,0,0|1,0,0]=3 1180 B8R1.5 Cc1c(nccn1)Br PB10597 [1,1,0,0,0,0|1,0,0]=3 1181 B8R1.5 Cc1c(nccn1)Cl PB18413 [1,1,0,0,0,0|1,0,0]=3 1182 B8R1.5 Cc1c(nccn1)I PB26409 [1,1,0,0,0,0|1,0,0]=3 1183 B8R1.5 Cc1c(nccn1)N PB32667 [1,1,0,0,0,0|1,0,0]=3 1184 B8R1.5 Cc1c(nccn1)O PB12942 [1,1,0,0,0,0|1,0,0]=3 1185 B8R1.5 Cc1cccnc1Br AB05448 [1,1,0,0,0,0|1,0,0]=3 1186 B8R1.5 Cc1cccnc1Cl AB05179 [1,1,0,0,0,0|1,0,0]=3 1187 B8R1.5 Cc1cccnc1N AB17908 [1,1,0,0,0,0|1,0,0]=3 1188 B8R1.5 Cc1cccnc1O AB03538 [1,1,0,0,0,0|1,0,0]=3 1189 B8R1.5 Cc1ccncc1Br AB03104 [1,1,0,0,0,0|0,0,0]=2 1190 B8R1.5 Cc1ccncc1Cl AB18019 [1,1,0,0,0,0|0,0,0]=2 1191 B8R1.5 Cc1ccncc1F AB18002 [1,1,0,0,0,0|0,0,0]=2 1192 B8R1.5 Cc1ccncc1N PB14127 [1,1,0,0,0,0|0,0,0]=2 1193 B8R1.5 Cc1ccncc1O PB23391 [1,1,0,0,0,0|0,0,0]=2 1194 B8R1.5 Cc1ccnnc1Cl PB34304 [1,1,0,0,0,0|1,0,0]=3 1195 B8R1.5 Cc1ccnnc1N MB06298 [1,1,0,0,0,0|1,0,0]=3 1196 B8R1.5 Cc1cnccc1Br AB20846 [1,1,0,0,0,0|1,0,0]=3 1197 B8R1.5 Cc1cnccc1Br PB23248 [1,1,0,0,0,0|1,0,0]=3 1198 B8R1.5 Cc1cnccc1Cl AB11511 [1,1,0,0,0,0|1,0,0]=3 1199 B8R1.5 Cc1cnccc1F AB18013 [1,1,0,0,0,0|1,0,0]=3 1200 B8R1.5 Cc1cnccc1N PB17234 [1,1,0,0,0,0|1,0,0]=3 1201 B8R1.5 Cc1cncnc1Cl AB44072 [1,1,0,0,0,0|2,0,0]=4 1202 B8R1.5 Cc1cncnc1N AB54983 [1,1,0,0,0,0|2,0,0]=4 1203 B8R1.5 Cc1cncnc1O AB09558 [1,1,0,0,0,0|2,0,0]=4 1204 B8R1.5 Cc1cnncc1N MB11384 [1,1,0,0,0,0|1,0,0]=3 1205 B8R1.5 c1c(c(ncn1)Br)N MB08406 [1,1,0,0,0,0|2,0,0]=4 1206 B8R1.5 c1c(c(ncn1)Cl)Br PB14722 [1,1,0,0,0,0|2,0,0]=4 1207 B8R1.5 c1c(c(ncn1)Cl)Cl PB28007 [1,1,0,0,0,0|2,0,0]=4 1208 B8R1.5 c1c(c(ncn1)Cl)F AB51357 [1,1,0,0,0,0|2,0,0]=4 1209 B8R1.5 c1c(c(ncn1)Cl)I PB23589 [1,1,0,0,0,0|2,0,0]=4 1210 B8R1.5 c1c(c(ncn1)I)Br PB11068 [1,1,0,0,0,0|2,0,0]=4 1211 B8R1.5 c1c(c(ncn1)N)Br MB00976 [1,1,0,0,0,0|2,0,0]=4 1212 B8R1.5 c1c(c(ncn1)N)N AB00594 [1,1,0,0,0,0|2,0,0]=4 1213 B8R1.5 c1c(c(ncn1)O)Br PB32183 [1,1,0,0,0,0|2,0,0]=4 1214 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [1,1,0,0,0,0|2,0,0]=4 1215 B8R1.5 c1c(c(ncn1)O)I PB34035 [1,1,0,0,0,0|2,0,0]=4 1216 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,1,0,0,0,0|1,0,0]=3 1217 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,1,0,0,0,0|1,0,0]=3 1218 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,1,0,0,0,0|1,0,0]=3 1219 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,1,0,0,0,0|1,0,0]=3 1220 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,1,0,0,0,0|1,0,0]=3 1221 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,1,0,0,0,0|1,0,0]=3 1222 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,1,0,0,0,0|1,0,0]=3 1223 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,1,0,0,0,0|1,0,0]=3 1224 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,1,0,0,0,0|1,0,0]=3 1225 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,1,0,0,0,0|1,0,0]=3 1226 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,1,0,0,0,0|1,0,0]=3 1227 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,1,0,0,0,0|1,0,0]=3 1228 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,1,0,0,0,0|1,0,0]=3 1229 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,1,0,0,0,0|1,0,0]=3 1230 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,1,0,0,0,0|1,0,0]=3 1231 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,1,0,0,0,0|1,0,0]=3 1232 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,1,0,0,0,0|1,0,0]=3 1233 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,1,0,0,0,0|1,0,0]=3 1234 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,1,0,0,0,0|1,0,0]=3 1235 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,1,0,0,0,0|1,0,0]=3 1236 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,1,0,0,0,0|1,0,0]=3 1237 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,1,0,0,0,0|1,0,0]=3 1238 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,1,0,0,0,0|1,0,0]=3 1239 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,1,0,0,0,0|1,0,0]=3 1240 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,1,0,0,0,0|1,0,0]=3 1241 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,1,0,0,0,0|1,0,0]=3 1242 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,1,0,0,0,0|1,0,0]=3 1243 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,1,0,0,0,0|1,0,0]=3 1244 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,1,0,0,0,0|1,0,0]=3 1245 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,1,0,0,0,0|1,0,0]=3 1246 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [1,1,0,0,0,0|1,0,1]=4 1247 B8R1.5 c1cn[nH]c(=O)c1Cl PB31005 [1,1,0,0,0,0|2,0,0]=4 1248 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [1,1,0,0,0,0|2,0,0]=4 1249 B8R1.5 c1cnc(c(n1)N)Br MB08183 [1,1,0,0,0,0|2,0,0]=4 1250 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [1,1,0,0,0,0|2,0,0]=4 1251 B8R1.5 c1cnc(c(n1)N)N PB10452 [1,1,0,0,0,0|2,0,0]=4 1252 B8R1.5 c1cncc(c1Br)Br AB05087 [1,1,0,0,0,0|1,0,0]=3 1253 B8R1.5 c1cncc(c1Br)Cl AB17643 [1,1,0,0,0,0|1,0,0]=3 1254 B8R1.5 c1cncc(c1Br)F PB23387 [1,1,0,0,0,0|1,0,0]=3 1255 B8R1.5 c1cncc(c1Br)N AB17638 [1,1,0,0,0,0|1,0,0]=3 1256 B8R1.5 c1cncc(c1Br)O AB13187 [1,1,0,0,0,0|1,0,0]=3 1257 B8R1.5 c1cncc(c1Cl)Br AB05074 [1,1,0,0,0,0|1,0,0]=3 1258 B8R1.5 c1cncc(c1Cl)Cl AB10192 [1,1,0,0,0,0|1,0,0]=3 1259 B8R1.5 c1cncc(c1Cl)F AB15511 [1,1,0,0,0,0|1,0,0]=3 1260 B8R1.5 c1cncc(c1Cl)I AB05089 [1,1,0,0,0,0|1,0,0]=3 1261 B8R1.5 c1cncc(c1Cl)N AB05299 [1,1,0,0,0,0|1,0,0]=3 1262 B8R1.5 c1cncc(c1Cl)O AB12281 [1,1,0,0,0,0|1,0,0]=3 1263 B8R1.5 c1cncc(c1F)Br AB17892 [1,1,0,0,0,0|1,0,0]=3 1264 B8R1.5 c1cncc(c1F)Cl AB21349 [1,1,0,0,0,0|1,0,0]=3 1265 B8R1.5 c1cncc(c1F)F AB18023 [1,1,0,0,0,0|1,0,0]=3 1266 B8R1.5 c1cncc(c1F)N AB50028 [1,1,0,0,0,0|1,0,0]=3 1267 B8R1.5 c1cncc(c1F)O AB64515 [1,1,0,0,0,0|1,0,0]=3 1268 B8R1.5 c1cncc(c1I)F PB21191 [1,1,0,0,0,0|1,0,0]=3 1269 B8R1.5 c1cncc(c1I)N PB23406 [1,1,0,0,0,0|1,0,0]=3 1270 B8R1.5 c1cncc(c1I)O MB06807 [1,1,0,0,0,0|1,0,0]=3 1271 B8R1.5 c1cncc(c1N)Br AB28611 [1,1,0,0,0,0|1,0,0]=3 1272 B8R1.5 c1cncc(c1N)Cl AB16891 [1,1,0,0,0,0|1,0,0]=3 1273 B8R1.5 c1cncc(c1N)F PB33879 [1,1,0,0,0,0|1,0,0]=3 1274 B8R1.5 c1cncc(c1N)I AB12095 [1,1,0,0,0,0|1,0,0]=3 1275 B8R1.5 c1cncc(c1O)Br AB09574 [1,1,0,0,0,0|1,0,0]=3 1276 B8R1.5 c1cncc(c1O)F AB18011 [1,1,0,0,0,0|1,0,0]=3 1277 B8R1.5 c1cnnc(c1Br)Cl AB77054 [1,1,0,0,0,0|2,0,0]=4 1278 B8R1.5 c1cnnc(c1Br)O AB77052 [1,1,0,0,0,0|2,0,0]=4 1279 B8R1.5 c1cnnc(c1Cl)Cl PB30392 [1,1,0,0,0,0|2,0,0]=4 1280 B8R1.1 CC1=CN=C(C1)C=O AB43814 [0,1,0,0,1,0|0,0,2]=4 1281 B8R1.1 CC1=NC(=NC1)CN AB28116 [0,1,0,0,1,0|1,0,1]=4 1282 B8R1.1 CC1=NN=C(C1)CN AB51378 [0,1,0,0,1,0|1,0,1]=4 1283 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [0,1,0,0,1,0|2,0,0]=4 1284 B8R1.1 CCc1cnc(o1)N AB64704 [0,1,0,0,1,0|2,0,0]=4 1285 B8R1.1 CCn1cc(cn1)Br AB43826 [0,1,0,0,1,0|2,0,0]=4 1286 B8R1.1 CCn1cc(cn1)N PB34103 [0,1,0,0,1,0|2,0,0]=4 1287 B8R1.1 CNc1ncc(s1)Br MB14261 [0,1,0,0,1,0|2,0,0]=4 1288 B8R1.1 COc1cnc(s1)N AB09307 [0,1,0,0,1,0|2,0,0]=4 1289 B8R1.1 COc1ncc(s1)Br MB06715 [0,1,0,0,1,0|2,0,0]=4 1290 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [0,1,0,0,1,0|1,0,1]=4 1291 B8R1.1 Cc1[nH]c(cn1)CCl AB57911 [0,1,0,0,1,0|1,0,0]=3 1292 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [0,1,0,0,1,0|1,0,0]=3 1293 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [0,1,0,0,1,0|1,0,0]=3 1294 B8R1.1 Cc1[nH]c(nn1)CN AB46091 [0,1,0,0,1,0|2,0,0]=4 1295 B8R1.1 Cc1cc(no1)CN AB06189 [0,1,0,0,1,0|1,0,0]=3 1296 B8R1.1 Cc1cc(oc1)CN PB24200 [0,1,0,0,1,0|1,0,0]=3 1297 B8R1.1 Cc1cc(on1)C=O CB11269 [0,1,0,0,1,0|1,0,1]=4 1298 B8R1.1 Cc1cc(on1)CCl AB42093 [0,1,0,0,1,0|1,0,0]=3 1299 B8R1.1 Cc1cc(on1)CN AB28053 [0,1,0,0,1,0|1,0,0]=3 1300 B8R1.1 Cc1cc(sc1)CCl AB72607 [0,1,0,0,1,0|1,0,0]=3 1301 B8R1.1 Cc1cc(sc1)CN AB25763 [0,1,0,0,1,0|1,0,0]=3 1302 B8R1.1 Cc1ccc(s1)C#N PB12235 [0,1,0,0,1,0|1,0,1]=4 1303 B8R1.1 Cc1ccc(s1)C=O AB00417 [0,1,0,0,1,0|1,0,1]=4 1304 B8R1.1 Cc1ccc(s1)CCl AB50993 [0,1,0,0,1,0|1,0,0]=3 1305 B8R1.1 Cc1ccc(s1)CN AB07827 [0,1,0,0,1,0|1,0,0]=3 1306 B8R1.1 Cc1cnc(o1)CO AB63479 [0,1,0,0,1,0|1,0,0]=3 1307 B8R1.1 Cc1cnc(o1)NC AB65971 [0,1,0,0,1,0|1,0,0]=3 1308 B8R1.1 Cc1cnc(s1)C=O AB43202 [0,1,0,0,1,0|1,0,1]=4 1309 B8R1.1 Cc1cnc(s1)CCl AB43206 [0,1,0,0,1,0|1,0,0]=3 1310 B8R1.1 Cc1cnc(s1)CN AB43201 [0,1,0,0,1,0|1,0,0]=3 1311 B8R1.1 Cc1coc(n1)CCl AB70149 [0,1,0,0,1,0|2,0,0]=4 1312 B8R1.1 Cc1coc(n1)CN AB70147 [0,1,0,0,1,0|2,0,0]=4 1313 B8R1.1 Cc1coc(n1)NC AB65967 [0,1,0,0,1,0|2,0,0]=4 1314 B8R1.1 Cc1csc(n1)CCl AB43168 [0,1,0,0,1,0|2,0,0]=4 1315 B8R1.1 Cc1csc(n1)CN AB59755 [0,1,0,0,1,0|2,0,0]=4 1316 B8R1.1 Cc1csc(n1)CO AB44110 [0,1,0,0,1,0|2,0,0]=4 1317 B8R1.1 Cc1csc(n1)NC AB10516 [0,1,0,0,1,0|2,0,0]=4 1318 B8R1.1 Cc1nc(co1)CCl AB45871 [0,1,0,0,1,0|2,0,0]=4 1319 B8R1.1 Cc1nc(co1)CN AB54740 [0,1,0,0,1,0|2,0,0]=4 1320 B8R1.1 Cc1nc(co1)CO AB48508 [0,1,0,0,1,0|2,0,0]=4 1321 B8R1.1 Cc1nc(cs1)CCl AB02129 [0,1,0,0,1,0|2,0,0]=4 1322 B8R1.1 Cc1nc(cs1)CN AB23320 [0,1,0,0,1,0|2,0,0]=4 1323 B8R1.1 Cc1nc(no1)CCl AB09935 [0,1,0,0,1,0|2,0,0]=4 1324 B8R1.1 Cc1nc(no1)CO AB43139 [0,1,0,0,1,0|2,0,0]=4 1325 B8R1.1 Cc1nc(on1)CCl AB45279 [0,1,0,0,1,0|2,0,0]=4 1326 B8R1.1 Cc1nc(on1)CN AB57218 [0,1,0,0,1,0|2,0,0]=4 1327 B8R1.1 Cc1nc(on1)CO AB44080 [0,1,0,0,1,0|2,0,0]=4 1328 B8R1.1 Cc1ncc(o1)C=O AB27658 [0,1,0,0,1,0|1,0,1]=4 1329 B8R1.1 Cc1ncc(o1)CCl AB70153 [0,1,0,0,1,0|1,0,0]=3 1330 B8R1.1 Cc1ncc(o1)CN AB64071 [0,1,0,0,1,0|1,0,0]=3 1331 B8R1.1 Cc1ncc(s1)C=O CB11336 [0,1,0,0,1,0|1,0,1]=4 1332 B8R1.1 Cc1nnc(o1)CCl AB25410 [0,1,0,0,1,0|2,0,0]=4 1333 B8R1.1 Cc1nnc(o1)CN AB28132 [0,1,0,0,1,0|2,0,0]=4 1334 B8R1.1 Cc1nnc(o1)CN AB28474 [0,1,0,0,1,0|2,0,0]=4 1335 B8R1.1 Cc1nnc(s1)CCl AB66821 [0,1,0,0,1,0|2,0,0]=4 1336 B8R1.1 Cc1nnc(s1)CN AB62645 [0,1,0,0,1,0|2,0,0]=4 1337 B8R1.1 Cn1cc(cn1)C#N PB27672 [0,1,0,0,1,0|1,0,1]=4 1338 B8R1.1 Cn1cc(cn1)C=O PB23185 [0,1,0,0,1,0|1,0,1]=4 1339 B8R1.1 Cn1cc(cn1)CCl AB53748 [0,1,0,0,1,0|1,0,0]=3 1340 B8R1.1 Cn1cc(cn1)CN PB29175 [0,1,0,0,1,0|1,0,0]=3 1341 B8R1.1 Cn1cc(cn1)CO PB19942 [0,1,0,0,1,0|1,0,0]=3 1342 B8R1.1 Cn1cc(nc1)C#N PB20172 [0,1,0,0,1,0|1,0,1]=4 1343 B8R1.1 Cn1cc(nc1)C=O PB24797 [0,1,0,0,1,0|1,0,1]=4 1344 B8R1.1 Cn1cc(nc1)CCl AB60095 [0,1,0,0,1,0|1,0,0]=3 1345 B8R1.1 Cn1cc(nc1)CN PB10356 [0,1,0,0,1,0|1,0,0]=3 1346 B8R1.1 Cn1cc(nc1)CO PB13038 [0,1,0,0,1,0|1,0,0]=3 1347 B8R1.1 Cn1cc(nn1)CCl AB69589 [0,1,0,0,1,0|2,0,0]=4 1348 B8R1.1 Cn1cc(nn1)CN AB69591 [0,1,0,0,1,0|2,0,0]=4 1349 B8R1.1 Cn1cc(nn1)CO AB69593 [0,1,0,0,1,0|2,0,0]=4 1350 B8R1.1 Cn1ccc(c1)CN AB48514 [0,1,0,0,1,0|1,0,0]=3 1351 B8R1.1 Cn1ccc(c1)CO AB09760 [0,1,0,0,1,0|1,0,0]=3 1352 B8R1.1 Cn1ccc(n1)CBr AB27867 [0,1,0,0,1,0|2,0,0]=4 1353 B8R1.1 Cn1ccc(n1)CN PB29254 [0,1,0,0,1,0|2,0,0]=4 1354 B8R1.1 Cn1ccc(n1)CO PB20290 [0,1,0,0,1,0|2,0,0]=4 1355 B8R1.1 Cn1cnc(n1)CCl AB28284 [0,1,0,0,1,0|2,0,0]=4 1356 B8R1.1 Cn1cnc(n1)CN PB35871 [0,1,0,0,1,0|2,0,0]=4 1357 B8R1.1 Cn1cnc(n1)CO PB34812 [0,1,0,0,1,0|2,0,0]=4 1358 B8R1.1 c1c(csc1Br)CN PB32960 [0,1,0,0,1,0|2,0,0]=4 1359 B8R1.1 c1c(csc1CN)Br PB27838 [0,1,0,0,1,0|2,0,0]=4 1360 B8R1.1 c1c(csc1CN)Cl PB16734 [0,1,0,0,1,0|2,0,0]=4 1361 B8R1.1 c1c(csc1CO)Br PB12803 [0,1,0,0,1,0|2,0,0]=4 1362 B8R1.1 c1c(csc1CO)Cl PB24317 [0,1,0,0,1,0|2,0,0]=4 1363 B8R1.1 c1c(csc1Cl)CN PB15278 [0,1,0,0,1,0|2,0,0]=4 1364 B8R1.1 c1c(csc1Cl)CO PB13604 [0,1,0,0,1,0|2,0,0]=4 1365 B8R1.1 c1c(onc1Br)CCl AB26702 [0,1,0,0,1,0|2,0,0]=4 1366 B8R1.1 c1c(onc1Br)CN AB11464 [0,1,0,0,1,0|2,0,0]=4 1367 B8R1.1 c1c(onc1O)CN MB00477 [0,1,0,0,1,0|2,0,0]=4 1368 B8R1.1 c1c(sc(n1)Br)CCl AB51428 [0,1,0,0,1,0|2,0,0]=4 1369 B8R1.1 c1c(sc(n1)Br)CN AB49802 [0,1,0,0,1,0|2,0,0]=4 1370 B8R1.1 c1c(sc(n1)Br)CO AB20494 [0,1,0,0,1,0|2,0,0]=4 1371 B8R1.1 c1c(sc(n1)CN)Br PB39018 [0,1,0,0,1,0|2,0,0]=4 1372 B8R1.1 c1c(sc(n1)CN)Cl PB37009 [0,1,0,0,1,0|2,0,0]=4 1373 B8R1.1 c1c(sc(n1)CO)Br PB24473 [0,1,0,0,1,0|2,0,0]=4 1374 B8R1.1 c1c(sc(n1)CO)Cl PB36635 [0,1,0,0,1,0|2,0,0]=4 1375 B8R1.1 c1c(sc(n1)Cl)CCl AB08016 [0,1,0,0,1,0|2,0,0]=4 1376 B8R1.1 c1c(sc(n1)N)CO AB23150 [0,1,0,0,1,0|2,0,0]=4 1377 B8R1.1 c1cc(sc1CCl)Cl AB00990 [0,1,0,0,1,0|2,0,0]=4 1378 B8R1.1 c1cc(sc1CN)Br PB24892 [0,1,0,0,1,0|2,0,0]=4 1379 B8R1.1 c1cc(sc1CN)Cl PB22134 [0,1,0,0,1,0|2,0,0]=4 1380 B8R1.1 c1cc(sc1CN)F PB33422 [0,1,0,0,1,0|2,0,0]=4 1381 B8R1.1 c1cc(sc1CO)Br PB23435 [0,1,0,0,1,0|2,0,0]=4 1382 B8R1.1 c1cc(sc1CO)Cl PB23436 [0,1,0,0,1,0|2,0,0]=4 1383 B8R1.1 c1cc(sc1CO)F PB31763 [0,1,0,0,1,0|2,0,0]=4 1384 B8R1.18 CC1=NC(=NC1Cl)C AB58139 [0,1,0,0,1,0|1,0,1]=4 1385 B8R1.18 Cc1[nH]c(c(n1)Br)Br AB06612 [0,1,0,0,1,0|2,0,0]=4 1386 B8R1.18 Cc1[nH]c(c(n1)I)I AB06210 [0,1,0,0,1,0|2,0,0]=4 1387 B8R1.18 Cc1c(cc(s1)Br)Br MB04800 [0,1,0,0,1,0|2,0,0]=4 1388 B8R1.18 Cc1c(cn(n1)C)Br PB23204 [0,1,0,0,1,0|2,0,0]=4 1389 B8R1.18 Cc1c(cn(n1)C)N AB10629 [0,1,0,0,1,0|2,0,0]=4 1390 B8R1.18 Cc1c(cn(n1)C)N PB34221 [0,1,0,0,1,0|2,0,0]=4 1391 B8R1.18 Cc1c(nn(n1)C)Br MB14575 [0,1,0,0,1,0|2,0,0]=4 1392 B8R1.18 Cc1c(oc(n1)N)C AB25421 [0,1,0,0,1,0|2,0,0]=4 1393 B8R1.18 Cc1cc(n(n1)C)Br PB11837 [0,1,0,0,1,0|2,0,0]=4 1394 B8R1.18 Cc1cc(n(n1)C)N AB02131 [0,1,0,0,1,0|2,0,0]=4 1395 B8R1.18 Cc1cn(c(n1)Br)C AB26588 [0,1,0,0,1,0|1,0,0]=3 1396 B8R1.18 Cc1nc(cn1C)Br AB26584 [0,1,0,0,1,0|2,0,0]=4 1397 B8R1.18 Cn1cc(nc1Br)Br AB26596 [0,1,0,0,1,0|2,0,0]=4 1398 B8R1.50 Cc1c(c(on1)C)Br PB14113 [0,1,0,0,1,0|1,0,0]=3 1399 B8R1.50 Cc1c(c(on1)C)I AB04361 [0,1,0,0,1,0|1,0,0]=3 1400 B8R1.50 Cc1c(cnn1C)Br AB51571 [0,1,0,0,1,0|2,0,0]=4 1401 B8R1.50 Cc1c(n(nn1)C)Br AB70602 [0,1,0,0,1,0|2,0,0]=4 1402 B8R1.50 Cc1cnc(n1C)Br AB26586 [0,1,0,0,1,0|2,0,0]=4 1403 B8R1.50 Cc1cnn(c1Br)C AB84867 [0,1,0,0,1,0|1,0,0]=3 1404 B8R1.50 Cc1ncc(n1C)Br AB26592 [0,1,0,0,1,0|2,0,0]=4 1405 B8R1.50 Cc1nnc(n1C)C AB07353 [0,1,0,0,1,0|2,0,0]=4 1406 B8R1.50 Cn1cnc(c1Br)Br AB07724 [0,1,0,0,1,0|2,0,0]=4 1407 B8R1.50 Cn1cnc(c1I)I AB12801 [0,1,0,0,1,0|2,0,0]=4 1408 B8R1.11 CC1=C(N=CC1)C=O AB01496 [0,1,0,0,1,0|0,0,2]=4 1409 B8R1.11 CC1=NC=NC1CCl AB76255 [0,1,0,0,1,0|1,0,1]=4 1410 B8R1.11 CCn1c(ccn1)N PB15601 [0,1,0,0,1,0|2,0,0]=4 1411 B8R1.11 Cc1c(ccs1)C#N AB71665 [0,1,0,0,1,0|1,0,1]=4 1412 B8R1.11 Cc1c(ccs1)C=O AB53893 [0,1,0,0,1,0|1,0,1]=4 1413 B8R1.11 Cc1c(ccs1)CCl AB76281 [0,1,0,0,1,0|1,0,0]=3 1414 B8R1.11 Cc1c(con1)CN MB06775 [0,1,0,0,1,0|1,0,0]=3 1415 B8R1.11 Cc1c(nco1)C=O AB62633 [0,1,0,0,1,0|1,0,1]=4 1416 B8R1.11 Cc1c(nco1)CCl AB71571 [0,1,0,0,1,0|1,0,0]=3 1417 B8R1.11 Cc1c(nco1)CN AB68727 [0,1,0,0,1,0|1,0,0]=3 1418 B8R1.11 Cc1c(ncs1)C#N AB76587 [0,1,0,0,1,0|1,0,1]=4 1419 B8R1.11 Cc1c(ncs1)C=O AB62627 [0,1,0,0,1,0|1,0,1]=4 1420 B8R1.11 Cc1c(ncs1)CCl AB76286 [0,1,0,0,1,0|1,0,0]=3 1421 B8R1.11 Cc1c(ncs1)CO AB44114 [0,1,0,0,1,0|1,0,0]=3 1422 B8R1.11 Cc1c(non1)CN AB28419 [0,1,0,0,1,0|2,0,0]=4 1423 B8R1.11 Cc1c(ocn1)CCl MB08890 [0,1,0,0,1,0|1,0,0]=3 1424 B8R1.11 Cc1c(ocn1)CO MB03682 [0,1,0,0,1,0|1,0,0]=3 1425 B8R1.11 Cc1c(scn1)C=O CB10986 [0,1,0,0,1,0|1,0,1]=4 1426 B8R1.11 Cc1c(scn1)CCl AB43190 [0,1,0,0,1,0|1,0,0]=3 1427 B8R1.11 Cc1c(scn1)CN AB43198 [0,1,0,0,1,0|1,0,0]=3 1428 B8R1.11 Cn1c(ccn1)C#N PB25151 [0,1,0,0,1,0|1,0,1]=4 1429 B8R1.11 Cn1c(ccn1)C=O PB21218 [0,1,0,0,1,0|1,0,1]=4 1430 B8R1.11 Cn1c(ccn1)CN PB24806 [0,1,0,0,1,0|1,0,0]=3 1431 B8R1.11 Cn1c(ccn1)CO PB14601 [0,1,0,0,1,0|1,0,0]=3 1432 B8R1.11 Cn1c(cnn1)CCl AB69595 [0,1,0,0,1,0|2,0,0]=4 1433 B8R1.11 Cn1c(cnn1)CN AB57111 [0,1,0,0,1,0|2,0,0]=4 1434 B8R1.11 Cn1c(ncn1)CCl MB07932 [0,1,0,0,1,0|2,0,0]=4 1435 B8R1.11 Cn1c(ncn1)CN AB25054 [0,1,0,0,1,0|2,0,0]=4 1436 B8R1.11 Cn1c(ncn1)CO AB27921 [0,1,0,0,1,0|2,0,0]=4 1437 B8R1.11 Cn1ccnc1C#N PB34281 [0,1,0,0,1,0|1,0,1]=4 1438 B8R1.11 Cn1ccnc1C=O PB12922 [0,1,0,0,1,0|1,0,1]=4 1439 B8R1.11 Cn1ccnc1CN MB07317 [0,1,0,0,1,0|1,0,0]=3 1440 B8R1.11 Cn1ccnc1CN PB30844 [0,1,0,0,1,0|1,0,0]=3 1441 B8R1.11 Cn1cnnc1CCl AB69765 [0,1,0,0,1,0|2,0,0]=4 1442 B8R1.11 Cn1cnnc1CN AB53790 [0,1,0,0,1,0|2,0,0]=4 1443 B8R1.11 Cn1cnnc1CO AB69764 [0,1,0,0,1,0|2,0,0]=4 1444 B8R1.11 Cn1cnnc1SC AB20821 [0,1,0,0,1,0|2,0,0]=4 1445 B8R1.11 c1csc(c1Br)CN PB34113 [0,1,0,0,1,0|2,0,0]=4 1446 B8R1.11 c1csc(c1Br)CO PB27714 [0,1,0,0,1,0|2,0,0]=4 1447 B8R1.11 c1csc(c1CBr)Br PB14291 [0,1,0,0,1,0|2,0,0]=4 1448 B8R1.11 c1csc(c1Cl)CN PB11803 [0,1,0,0,1,0|2,0,0]=4 1449 B8R1.11 c1csc(c1Cl)CO PB23440 [0,1,0,0,1,0|2,0,0]=4 1450 B10R1.2 CCc1c(c(ncn1)Cl)Cl AB63593 [0,2,0,0,0,0|2,0,0]=4 1451 B10R1.2 CCc1c(c(ncn1)Cl)F PB10473 [0,2,0,0,0,0|2,0,0]=4 1452 B10R1.2 CCc1c(c(ncn1)N)Cl AB54958 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.2 CCc1c(c(ncn1)O)Cl AB63595 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.2 CCc1cccc(c1Br)O MB24080 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.2 CCc1cccc(c1C)O MB24030 [0,2,0,0,0,0|2,0,0]=4 1456 B10R1.2 CCc1cccc(c1Cl)O MB24081 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.2 CCc1cccc(c1F)O MB24054 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.2 CCc1cccc(c1I)O MB24055 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.2 CCc1cccc(c1N)O MB24059 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.2 CCc1cccc(c1O)Br MB02008 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.2 CCc1cccc(c1O)Cl MB02005 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.2 CCc1cccc(c1O)F MB24014 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.2 CCc1cccc(c1O)I MB24016 [0,2,0,0,0,0|2,0,0]=4 1464 B10R1.2 CCc1cccc(c1O)N MB24022 [0,2,0,0,0,0|2,0,0]=4 1465 B10R1.2 CNc1cccc(c1Br)O MB28270 [0,2,0,0,0,0|2,0,0]=4 1466 B10R1.2 CNc1cccc(c1Cl)O MB26964 [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.2 CNc1cccc(c1F)O MB34647 [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.2 CNc1cccc(c1I)O MB29498 [0,2,0,0,0,0|2,0,0]=4 1469 B10R1.2 CNc1cccc(c1N)O MB33054 [0,2,0,0,0,0|2,0,0]=4 1470 B10R1.2 CNc1cccc(c1O)Br MB26263 [0,2,0,0,0,0|2,0,0]=4 1471 B10R1.2 CNc1cccc(c1O)Cl MB33654 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.2 CNc1cccc(c1O)F MB28274 [0,2,0,0,0,0|2,0,0]=4 1473 B10R1.2 CNc1cccc(c1O)I MB32214 [0,2,0,0,0,0|2,0,0]=4 1474 B10R1.2 CNc1cccc(c1O)N MB33525 [0,2,0,0,0,0|2,0,0]=4 1475 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [0,2,0,0,0,0|1,0,0]=3 1476 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [0,2,0,0,0,0|1,0,0]=3 1477 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [0,2,0,0,0,0|1,0,0]=3 1478 B10R1.2 COc1c(c(ccn1)I)F AB71332 [0,2,0,0,0,0|1,0,0]=3 1479 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [0,2,0,0,0,0|1,0,0]=3 1480 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [0,2,0,0,0,0|1,0,0]=3 1481 B10R1.2 COc1c(c(ccn1)N)F AB70892 [0,2,0,0,0,0|1,0,0]=3 1482 B10R1.2 COc1c(c(ccn1)N)N AB56399 [0,2,0,0,0,0|1,0,0]=3 1483 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [0,2,0,0,0,0|1,0,0]=3 1484 B10R1.2 COc1cccc(c1Br)O MB06929 [0,2,0,0,0,0|2,0,0]=4 1485 B10R1.2 COc1cccc(c1Cl)N PB11874 [0,2,0,0,0,0|2,0,0]=4 1486 B10R1.2 COc1cccc(c1Cl)O MB06074 [0,2,0,0,0,0|2,0,0]=4 1487 B10R1.2 COc1cccc(c1F)O MB09318 [0,2,0,0,0,0|2,0,0]=4 1488 B10R1.2 COc1cccc(c1I)O MB14766 [0,2,0,0,0,0|2,0,0]=4 1489 B10R1.2 COc1cccc(c1N)O MB12204 [0,2,0,0,0,0|2,0,0]=4 1490 B10R1.2 COc1cccc(c1O)Br PB18847 [0,2,0,0,0,0|2,0,0]=4 1491 B10R1.2 COc1cccc(c1O)Cl MB25402 [0,2,0,0,0,0|2,0,0]=4 1492 B10R1.2 COc1cccc(c1O)I MB09225 [0,2,0,0,0,0|2,0,0]=4 1493 B10R1.2 COc1cccc(c1O)N MB25613 [0,2,0,0,0,0|2,0,0]=4 1494 B10R1.2 COc1ccnc(c1Cl)N AB70635 [0,2,0,0,0,0|1,0,0]=3 1495 B10R1.2 COc1ccnc(c1Cl)O AB71172 [0,2,0,0,0,0|1,0,0]=3 1496 B10R1.2 COc1ccnc(c1I)N AB48785 [0,2,0,0,0,0|1,0,0]=3 1497 B10R1.2 COc1ccnc(c1N)Cl AB62572 [0,2,0,0,0,0|1,0,0]=3 1498 B10R1.2 COc1ccnc(c1O)Cl AB71167 [0,2,0,0,0,0|1,0,0]=3 1499 B10R1.2 CSc1cccc(c1Br)O MB26789 [0,2,0,0,0,0|2,0,0]=4 1500 B10R1.2 CSc1cccc(c1Cl)O MB33312 [0,2,0,0,0,0|2,0,0]=4 1501 B10R1.2 CSc1cccc(c1F)O MB25404 [0,2,0,0,0,0|2,0,0]=4 1502 B10R1.2 CSc1cccc(c1I)O MB31760 [0,2,0,0,0,0|2,0,0]=4 1503 B10R1.2 CSc1cccc(c1N)O MB32351 [0,2,0,0,0,0|2,0,0]=4 1504 B10R1.2 CSc1cccc(c1O)Cl MB27718 [0,2,0,0,0,0|2,0,0]=4 1505 B10R1.2 CSc1cccc(c1O)F MB25614 [0,2,0,0,0,0|2,0,0]=4 1506 B10R1.2 CSc1cccc(c1O)I MB28360 [0,2,0,0,0,0|2,0,0]=4 1507 B10R1.2 CSc1cccc(c1O)N MB28757 [0,2,0,0,0,0|2,0,0]=4 1508 B10R1.2 Cc1c(c(ccn1)C=O)Cl AB71247 [0,2,0,0,0,0|0,0,1]=3 1509 B10R1.2 Cc1c(c(ccn1)C=O)N AB70908 [0,2,0,0,0,0|0,0,1]=3 1510 B10R1.2 Cc1c(c(ccn1)C=O)O AB24800 [0,2,0,0,0,0|0,0,1]=3 1511 B10R1.2 Cc1c(c(ccn1)CCl)Cl AB71122 [0,2,0,0,0,0|0,0,0]=2 1512 B10R1.2 Cc1c(c(ccn1)CN)Cl AB75137 [0,2,0,0,0,0|0,0,0]=2 1513 B10R1.2 Cc1c(cccc1O)NC MB37053 [0,2,0,0,0,0|2,0,0]=4 1514 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,2,0,0,0,0|2,0,0]=4 1515 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.2 Cc1c(ccnc1C#N)Br AB40724 [0,2,0,0,0,0|1,0,1]=4 1517 B10R1.2 Cc1c(ccnc1C#N)Cl AB40716 [0,2,0,0,0,0|1,0,1]=4 1518 B10R1.2 Cc1c(ccnc1C=O)Br AB40731 [0,2,0,0,0,0|1,0,1]=4 1519 B10R1.2 Cc1c(ccnc1C=O)Cl AB40720 [0,2,0,0,0,0|1,0,1]=4 1520 B10R1.2 Cc1c(ccnc1C=O)F AB82923 [0,2,0,0,0,0|1,0,1]=4 1521 B10R1.2 Cc1c(ccnc1CCl)Cl AB75387 [0,2,0,0,0,0|1,0,0]=3 1522 B10R1.2 Cc1c(ccnc1CCl)F AB82925 [0,2,0,0,0,0|1,0,0]=3 1523 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [0,2,0,0,0,0|1,0,0]=3 1524 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [0,2,0,0,0,0|1,0,0]=3 1525 B10R1.2 Cc1c(ccnc1CN)F AB82928 [0,2,0,0,0,0|1,0,0]=3 1526 B10R1.2 Cc1c(ccnc1CO)Br AB53756 [0,2,0,0,0,0|1,0,0]=3 1527 B10R1.2 Cc1c(ccnc1Cl)C=O AB55074 [0,2,0,0,0,0|1,0,1]=4 1528 B10R1.2 Cc1c(ccnc1Cl)CCl AB71116 [0,2,0,0,0,0|1,0,0]=3 1529 B10R1.2 Cc1c(ccnc1Cl)CN AB72647 [0,2,0,0,0,0|1,0,0]=3 1530 B10R1.2 Cc1c(ccnc1F)C=O AB71343 [0,2,0,0,0,0|1,0,1]=4 1531 B10R1.2 Cc1c(ccnc1F)CCl AB71238 [0,2,0,0,0,0|1,0,0]=3 1532 B10R1.2 Cc1c(ccnc1F)CN AB82854 [0,2,0,0,0,0|1,0,0]=3 1533 B10R1.2 Cc1c(nccc1C=O)C AB62887 [0,2,0,0,0,0|0,0,1]=3 1534 B10R1.2 Cc1c(nccc1CCl)C AB75402 [0,2,0,0,0,0|0,0,0]=2 1535 B10R1.2 Cc1c(nccc1CN)C AB75354 [0,2,0,0,0,0|0,0,0]=2 1536 B10R1.2 Cc1c(nccc1CO)C AB62891 [0,2,0,0,0,0|0,0,0]=2 1537 B10R1.2 Cc1cccc(c1N)C#N MB08131 [0,2,0,0,0,0|1,0,1]=4 1538 B10R1.2 Cc1cccc(c1N)CN MB08906 [0,2,0,0,0,0|1,0,0]=3 1539 B10R1.2 Cc1cccc(c1N)OC AB02877 [0,2,0,0,0,0|1,0,0]=3 1540 B10R1.2 Cc1cccc(c1O)C#N MB07838 [0,2,0,0,0,0|1,0,1]=4 1541 B10R1.2 Cc1cccc(c1O)CN MB05058 [0,2,0,0,0,0|1,0,0]=3 1542 B10R1.2 Cc1cccc(c1O)NC MB31993 [0,2,0,0,0,0|1,0,0]=3 1543 B10R1.2 Cc1cccc(c1O)SC MB31066 [0,2,0,0,0,0|1,0,0]=3 1544 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [0,2,0,0,0,0|0,0,0]=2 1545 B10R1.2 Cc1ccnc(c1C)C=O AB66597 [0,2,0,0,0,0|0,0,1]=3 1546 B10R1.2 Cc1ccnc(c1C)CCl AB49318 [0,2,0,0,0,0|0,0,0]=2 1547 B10R1.2 Cc1ccnc(c1C)CN AB76790 [0,2,0,0,0,0|0,0,0]=2 1548 B10R1.2 Cc1ccnc(c1Cl)C=O AB44896 [0,2,0,0,0,0|0,0,1]=3 1549 B10R1.2 Cc1ccnc(c1Cl)CCl AB83300 [0,2,0,0,0,0|0,0,0]=2 1550 B10R1.2 Cc1ccnc(c1Cl)CN AB83302 [0,2,0,0,0,0|0,0,0]=2 1551 B10R1.2 Cc1ccnc(c1F)C#N AB63156 [0,2,0,0,0,0|0,0,1]=3 1552 B10R1.2 Cc1ccnc(c1N)C=O AB83759 [0,2,0,0,0,0|0,0,1]=3 1553 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [0,2,0,0,0,0|0,0,1]=3 1554 B10R1.2 Cc1cncc(c1C)CCl AB75396 [0,2,0,0,0,0|2,0,0]=4 1555 B10R1.2 Cc1cncc(c1C)CN AB76787 [0,2,0,0,0,0|2,0,0]=4 1556 B10R1.2 Cc1cncc(c1Cl)CCl AB83266 [0,2,0,0,0,0|2,0,0]=4 1557 B10R1.2 Cc1cncc(c1Cl)CN AB83269 [0,2,0,0,0,0|2,0,0]=4 1558 B10R1.2 Cc1cncc(c1F)CCl AB82938 [0,2,0,0,0,0|2,0,0]=4 1559 B10R1.2 Cc1cncc(c1F)CN AB82941 [0,2,0,0,0,0|2,0,0]=4 1560 B10R1.2 Cn1cccc(c1=O)CN PB24240 [0,2,0,0,0,0|2,0,0]=4 1561 B10R1.2 Cn1cccc(c1=O)CO PB13713 [0,2,0,0,0,0|2,0,0]=4 1562 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [0,2,0,0,0,0|2,0,0]=4 1563 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [0,2,0,0,0,0|2,0,0]=4 1564 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [0,2,0,0,0,0|2,0,0]=4 1565 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [0,2,0,0,0,0|2,0,0]=4 1566 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [0,2,0,0,0,0|2,0,0]=4 1567 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [0,2,0,0,0,0|2,0,0]=4 1568 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [0,2,0,0,0,0|2,0,0]=4 1569 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [0,2,0,0,0,0|2,0,0]=4 1570 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [0,2,0,0,0,0|2,0,0]=4 1571 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [0,2,0,0,0,0|2,0,0]=4 1572 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [0,2,0,0,0,0|2,0,0]=4 1573 B10R1.2 c1cnc(c(c1Br)N)C=O AB83752 [0,2,0,0,0,0|1,0,1]=4 1574 B10R1.2 c1cnc(c(c1Br)O)C=O AB84603 [0,2,0,0,0,0|1,0,1]=4 1575 B10R1.2 c1cnc(c(c1C#N)I)Cl MB07009 [0,2,0,0,0,0|1,0,1]=4 1576 B10R1.2 c1cnc(c(c1C=O)Cl)F AB66309 [0,2,0,0,0,0|1,0,1]=4 1577 B10R1.2 c1cnc(c(c1C=O)Cl)N AB83932 [0,2,0,0,0,0|1,0,1]=4 1578 B10R1.2 c1cnc(c(c1C=O)Cl)O AB70959 [0,2,0,0,0,0|1,0,1]=4 1579 B10R1.2 c1cnc(c(c1C=O)F)Cl AB20966 [0,2,0,0,0,0|1,0,1]=4 1580 B10R1.2 c1cnc(c(c1C=O)N)Br AB71718 [0,2,0,0,0,0|1,0,1]=4 1581 B10R1.2 c1cnc(c(c1C=O)N)Cl AB71714 [0,2,0,0,0,0|1,0,1]=4 1582 B10R1.2 c1cnc(c(c1C=O)N)N AB83595 [0,2,0,0,0,0|1,0,1]=4 1583 B10R1.2 c1cnc(c(c1C=O)O)Br AB69695 [0,2,0,0,0,0|1,0,1]=4 1584 B10R1.2 c1cnc(c(c1C=O)O)Cl AB69323 [0,2,0,0,0,0|1,0,1]=4 1585 B10R1.2 c1cnc(c(c1C=O)O)N AB84363 [0,2,0,0,0,0|1,0,1]=4 1586 B10R1.2 c1cnc(c(c1CCl)Cl)F AB66313 [0,2,0,0,0,0|1,0,0]=3 1587 B10R1.2 c1cnc(c(c1CCl)Cl)O AB71003 [0,2,0,0,0,0|1,0,0]=3 1588 B10R1.2 c1cnc(c(c1CCl)F)Cl AB70985 [0,2,0,0,0,0|1,0,0]=3 1589 B10R1.2 c1cnc(c(c1CCl)O)Cl AB71002 [0,2,0,0,0,0|1,0,0]=3 1590 B10R1.2 c1cnc(c(c1CN)Cl)F AB66314 [0,2,0,0,0,0|1,0,0]=3 1591 B10R1.2 c1cnc(c(c1CN)Cl)N AB83937 [0,2,0,0,0,0|1,0,0]=3 1592 B10R1.2 c1cnc(c(c1CN)F)Cl AB76202 [0,2,0,0,0,0|1,0,0]=3 1593 B10R1.2 c1cnc(c(c1CN)O)Cl AB76795 [0,2,0,0,0,0|1,0,0]=3 1594 B10R1.2 c1cnc(c(c1Cl)F)C=O AB70766 [0,2,0,0,0,0|1,0,1]=4 1595 B10R1.2 c1cnc(c(c1Cl)F)CCl AB70769 [0,2,0,0,0,0|1,0,0]=3 1596 B10R1.2 c1cnc(c(c1Cl)F)CN AB70770 [0,2,0,0,0,0|1,0,0]=3 1597 B10R1.2 c1cnc(c(c1Cl)N)C=O AB83753 [0,2,0,0,0,0|1,0,1]=4 1598 B10R1.2 c1cnc(c(c1Cl)O)C=O AB75013 [0,2,0,0,0,0|1,0,1]=4 1599 B10R1.2 c1cnc(c(c1Cl)O)CCl AB83984 [0,2,0,0,0,0|1,0,0]=3 1600 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [0,2,0,0,0,0|1,0,0]=3 1601 B10R1.2 c1cnc(c(c1F)Cl)C=O AB83001 [0,2,0,0,0,0|1,0,1]=4 1602 B10R1.2 c1cnc(c(c1F)Cl)CCl AB83006 [0,2,0,0,0,0|1,0,0]=3 1603 B10R1.2 c1cnc(c(c1F)Cl)CN AB83007 [0,2,0,0,0,0|1,0,0]=3 1604 B10R1.2 c1cnc(c(c1N)Cl)C=O AB83926 [0,2,0,0,0,0|1,0,1]=4 1605 B10R1.2 c1cnc(c(c1N)Cl)CN AB83927 [0,2,0,0,0,0|1,0,0]=3 1606 B10R1.2 c1cnc(c(c1N)O)C=O AB84604 [0,2,0,0,0,0|1,0,1]=4 1607 B10R1.2 c1cnc(c(c1O)Cl)C=O AB75006 [0,2,0,0,0,0|1,0,1]=4 1608 B10R1.2 c1cnc(c(c1O)Cl)CCl AB84054 [0,2,0,0,0,0|1,0,0]=3 1609 B10R1.2 c1cnc(c(c1O)Cl)CN AB84056 [0,2,0,0,0,0|1,0,0]=3 1610 B10R1.8 C#Cc1cc(nc(c1)Cl)Cl AB69085 [0,2,0,0,0,0|1,0,1]=4 1611 B10R1.8 CCc1cc(cc(c1)Br)O MB23717 [0,2,0,0,0,0|2,0,0]=4 1612 B10R1.8 CCc1cc(cc(c1)Cl)O MB23719 [0,2,0,0,0,0|2,0,0]=4 1613 B10R1.8 CCc1cc(cc(c1)F)O MB23700 [0,2,0,0,0,0|2,0,0]=4 1614 B10R1.8 CCc1cc(cc(c1)I)O MB23702 [0,2,0,0,0,0|2,0,0]=4 1615 B10R1.8 CCc1cc(cc(c1)O)N MB23659 [0,2,0,0,0,0|2,0,0]=4 1616 B10R1.8 CCc1cc(nc(n1)C)Cl AB42755 [0,2,0,0,0,0|1,0,0]=3 1617 B10R1.8 CCc1cc(nc(n1)C)N AB54967 [0,2,0,0,0,0|1,0,0]=3 1618 B10R1.8 CCc1cc(nc(n1)C)O AB13893 [0,2,0,0,0,0|1,0,0]=3 1619 B10R1.8 CNc1cc(cc(c1)Cl)O MB29202 [0,2,0,0,0,0|2,0,0]=4 1620 B10R1.8 CNc1cc(cc(c1)F)O MB30811 [0,2,0,0,0,0|2,0,0]=4 1621 B10R1.8 CNc1cc(cc(c1)O)N MB33447 [0,2,0,0,0,0|2,0,0]=4 1622 B10R1.8 CNc1cc(nc(n1)Cl)Cl MB09922 [0,2,0,0,0,0|2,0,0]=4 1623 B10R1.8 CNc1nc(cc(n1)Cl)Cl MB02225 [0,2,0,0,0,0|2,0,0]=4 1624 B10R1.8 COc1cc(cc(c1)Br)Cl AB62692 [0,2,0,0,0,0|2,0,0]=4 1625 B10R1.8 COc1cc(cc(c1)Br)N AB65032 [0,2,0,0,0,0|2,0,0]=4 1626 B10R1.8 COc1cc(cc(c1)Br)O AB65533 [0,2,0,0,0,0|2,0,0]=4 1627 B10R1.8 COc1cc(cc(c1)Cl)O MB00121 [0,2,0,0,0,0|2,0,0]=4 1628 B10R1.8 COc1cc(cc(c1)F)O MB10146 [0,2,0,0,0,0|2,0,0]=4 1629 B10R1.8 COc1cc(cc(c1)I)O MB11865 [0,2,0,0,0,0|2,0,0]=4 1630 B10R1.8 COc1cc(cc(c1)O)N MB25612 [0,2,0,0,0,0|2,0,0]=4 1631 B10R1.8 COc1cc(cc(n1)Br)Cl AB69575 [0,2,0,0,0,0|1,0,0]=3 1632 B10R1.8 COc1cc(cc(n1)Br)N AB62723 [0,2,0,0,0,0|1,0,0]=3 1633 B10R1.8 COc1cc(cc(n1)Cl)Br AB69577 [0,2,0,0,0,0|1,0,0]=3 1634 B10R1.8 COc1cc(cc(n1)Cl)N AB68188 [0,2,0,0,0,0|1,0,0]=3 1635 B10R1.8 COc1cc(nc(c1)Cl)Cl AB07752 [0,2,0,0,0,0|1,0,0]=3 1636 B10R1.8 COc1cc(nc(n1)Cl)Cl MB01592 [0,2,0,0,0,0|2,0,0]=4 1637 B10R1.8 COc1nc(cc(n1)Cl)Cl MB02869 [0,2,0,0,0,0|2,0,0]=4 1638 B10R1.8 COc1nc(cc(n1)Cl)N MB09202 [0,2,0,0,0,0|2,0,0]=4 1639 B10R1.8 CSc1cc(cc(c1)Br)O MB36767 [0,2,0,0,0,0|2,0,0]=4 1640 B10R1.8 CSc1cc(cc(c1)Cl)O MB28354 [0,2,0,0,0,0|2,0,0]=4 1641 B10R1.8 CSc1cc(cc(c1)F)O MB34115 [0,2,0,0,0,0|2,0,0]=4 1642 B10R1.8 CSc1cc(cc(c1)I)O MB32212 [0,2,0,0,0,0|2,0,0]=4 1643 B10R1.8 CSc1cc(cc(c1)O)N MB38338 [0,2,0,0,0,0|2,0,0]=4 1644 B10R1.8 Cc1cc(cc(c1)Br)C=O AB53369 [0,2,0,0,0,0|1,0,1]=4 1645 B10R1.8 Cc1cc(cc(c1)Br)CCl AB71866 [0,2,0,0,0,0|1,0,0]=3 1646 B10R1.8 Cc1cc(cc(c1)Br)CN AB75545 [0,2,0,0,0,0|1,0,0]=3 1647 B10R1.8 Cc1cc(cc(c1)Br)OC AB43364 [0,2,0,0,0,0|1,0,0]=3 1648 B10R1.8 Cc1cc(cc(c1)C=O)C AB03134 [0,2,0,0,0,0|1,0,0]=3 1649 B10R1.8 Cc1cc(cc(c1)CCl)C AB56154 [0,2,0,0,0,0|1,0,0]=3 1650 B10R1.8 Cc1cc(cc(c1)CN)C AB01824 [0,2,0,0,0,0|1,0,0]=3 1651 B10R1.8 Cc1cc(cc(c1)Cl)C=O AB64288 [0,2,0,0,0,0|1,0,1]=4 1652 B10R1.8 Cc1cc(cc(c1)Cl)CCl AB75575 [0,2,0,0,0,0|1,0,0]=3 1653 B10R1.8 Cc1cc(cc(c1)Cl)CN AB75470 [0,2,0,0,0,0|1,0,0]=3 1654 B10R1.8 Cc1cc(cc(c1)Cl)OC MB05593 [0,2,0,0,0,0|1,0,0]=3 1655 B10R1.8 Cc1cc(cc(c1)F)C=O AB13319 [0,2,0,0,0,0|1,0,1]=4 1656 B10R1.8 Cc1cc(cc(c1)F)CCl AB66782 [0,2,0,0,0,0|1,0,0]=3 1657 B10R1.8 Cc1cc(cc(c1)F)CN AB23427 [0,2,0,0,0,0|1,0,0]=3 1658 B10R1.8 Cc1cc(cc(c1)I)C=O AB75646 [0,2,0,0,0,0|1,0,1]=4 1659 B10R1.8 Cc1cc(cc(c1)I)CCl AB75649 [0,2,0,0,0,0|1,0,0]=3 1660 B10R1.8 Cc1cc(cc(c1)I)CN AB75648 [0,2,0,0,0,0|1,0,0]=3 1661 B10R1.8 Cc1cc(cc(c1)N)CN AB75515 [0,2,0,0,0,0|1,0,0]=3 1662 B10R1.8 Cc1cc(cc(c1)O)C#N MB25636 [0,2,0,0,0,0|1,0,1]=4 1663 B10R1.8 Cc1cc(cc(c1)O)C=O AB71633 [0,2,0,0,0,0|1,0,1]=4 1664 B10R1.8 Cc1cc(cc(c1)O)CN AB71617 [0,2,0,0,0,0|1,0,0]=3 1665 B10R1.8 Cc1cc(cc(c1)O)NC MB25938 [0,2,0,0,0,0|1,0,0]=3 1666 B10R1.8 Cc1cc(cc(c1)SC)O MB37868 [0,2,0,0,0,0|1,0,0]=3 1667 B10R1.8 Cc1cc(cc(n1)Br)C=O AB66852 [0,2,0,0,0,0|0,0,1]=3 1668 B10R1.8 Cc1cc(cc(n1)Br)CCl AB71050 [0,2,0,0,0,0|0,0,0]=2 1669 B10R1.8 Cc1cc(cc(n1)Br)CN AB68161 [0,2,0,0,0,0|0,0,0]=2 1670 B10R1.8 Cc1cc(cc(n1)C#N)Br AB40796 [0,2,0,0,0,0|1,0,0]=3 1671 B10R1.8 Cc1cc(cc(n1)C#N)Cl AB40808 [0,2,0,0,0,0|1,0,0]=3 1672 B10R1.8 Cc1cc(cc(n1)C)C=O AB24839 [0,2,0,0,0,0|0,0,1]=3 1673 B10R1.8 Cc1cc(cc(n1)C)CCl AB68655 [0,2,0,0,0,0|0,0,0]=2 1674 B10R1.8 Cc1cc(cc(n1)C)CN AB65427 [0,2,0,0,0,0|0,0,0]=2 1675 B10R1.8 Cc1cc(cc(n1)C=O)Br AB40795 [0,2,0,0,0,0|1,0,0]=3 1676 B10R1.8 Cc1cc(cc(n1)C=O)Cl AB40806 [0,2,0,0,0,0|1,0,0]=3 1677 B10R1.8 Cc1cc(cc(n1)C=O)F AB75160 [0,2,0,0,0,0|1,0,0]=3 1678 B10R1.8 Cc1cc(cc(n1)C=O)I AB79033 [0,2,0,0,0,0|1,0,0]=3 1679 B10R1.8 Cc1cc(cc(n1)C=O)O AB78936 [0,2,0,0,0,0|1,0,0]=3 1680 B10R1.8 Cc1cc(cc(n1)CCl)Br AB68657 [0,2,0,0,0,0|1,0,0]=3 1681 B10R1.8 Cc1cc(cc(n1)CCl)Cl AB74787 [0,2,0,0,0,0|1,0,0]=3 1682 B10R1.8 Cc1cc(cc(n1)CCl)F AB78533 [0,2,0,0,0,0|1,0,0]=3 1683 B10R1.8 Cc1cc(cc(n1)CCl)I AB78583 [0,2,0,0,0,0|1,0,0]=3 1684 B10R1.8 Cc1cc(cc(n1)CCl)O AB78458 [0,2,0,0,0,0|1,0,0]=3 1685 B10R1.8 Cc1cc(cc(n1)CN)Br AB40798 [0,2,0,0,0,0|1,0,0]=3 1686 B10R1.8 Cc1cc(cc(n1)CN)Cl AB40810 [0,2,0,0,0,0|1,0,0]=3 1687 B10R1.8 Cc1cc(cc(n1)CN)F AB80224 [0,2,0,0,0,0|1,0,0]=3 1688 B10R1.8 Cc1cc(cc(n1)CN)I AB80278 [0,2,0,0,0,0|1,0,0]=3 1689 B10R1.8 Cc1cc(cc(n1)CN)N AB80135 [0,2,0,0,0,0|1,0,0]=3 1690 B10R1.8 Cc1cc(cc(n1)CN)O AB80150 [0,2,0,0,0,0|1,0,0]=3 1691 B10R1.8 Cc1cc(cc(n1)CO)Br AB40787 [0,2,0,0,0,0|1,0,0]=3 1692 B10R1.8 Cc1cc(cc(n1)CO)Cl AB40801 [0,2,0,0,0,0|1,0,0]=3 1693 B10R1.8 Cc1cc(cc(n1)Cl)C=O AB24805 [0,2,0,0,0,0|0,0,1]=3 1694 B10R1.8 Cc1cc(cc(n1)Cl)CCl AB70698 [0,2,0,0,0,0|0,0,0]=2 1695 B10R1.8 Cc1cc(cc(n1)Cl)CN AB68142 [0,2,0,0,0,0|0,0,0]=2 1696 B10R1.8 Cc1cc(cc(n1)F)C=O AB70701 [0,2,0,0,0,0|0,0,1]=3 1697 B10R1.8 Cc1cc(cc(n1)F)CCl AB70706 [0,2,0,0,0,0|0,0,0]=2 1698 B10R1.8 Cc1cc(cc(n1)F)CN AB80402 [0,2,0,0,0,0|0,0,0]=2 1699 B10R1.8 Cc1cc(cc(n1)I)C=O AB79154 [0,2,0,0,0,0|0,0,1]=3 1700 B10R1.8 Cc1cc(cc(n1)I)CCl AB78738 [0,2,0,0,0,0|0,0,0]=2 1701 B10R1.8 Cc1cc(cc(n1)I)CN AB80462 [0,2,0,0,0,0|0,0,0]=2 1702 B10R1.8 Cc1cc(cc(n1)N)CCl AB70871 [0,2,0,0,0,0|0,0,0]=2 1703 B10R1.8 Cc1cc(cc(n1)N)CN AB80499 [0,2,0,0,0,0|0,0,0]=2 1704 B10R1.8 Cc1cc(cc(n1)O)C=O AB71363 [0,2,0,0,0,0|0,0,1]=3 1705 B10R1.8 Cc1cc(cc(n1)O)CN AB80512 [0,2,0,0,0,0|0,0,0]=2 1706 B10R1.8 Cc1cc(nc(c1)Br)C=O AB67811 [0,2,0,0,0,0|0,0,1]=3 1707 B10R1.8 Cc1cc(nc(c1)Br)CCl AB78392 [0,2,0,0,0,0|0,0,0]=2 1708 B10R1.8 Cc1cc(nc(c1)Br)CN AB80078 [0,2,0,0,0,0|0,0,0]=2 1709 B10R1.8 Cc1cc(nc(c1)C=O)C AB04218 [0,2,0,0,0,0|0,0,0]=2 1710 B10R1.8 Cc1cc(nc(c1)CCl)C AB64959 [0,2,0,0,0,0|0,0,0]=2 1711 B10R1.8 Cc1cc(nc(c1)CN)C AB62613 [0,2,0,0,0,0|0,0,0]=2 1712 B10R1.8 Cc1cc(nc(c1)Cl)C=O AB67809 [0,2,0,0,0,0|0,0,1]=3 1713 B10R1.8 Cc1cc(nc(c1)Cl)CCl AB71015 [0,2,0,0,0,0|0,0,0]=2 1714 B10R1.8 Cc1cc(nc(c1)Cl)CN AB75106 [0,2,0,0,0,0|0,0,0]=2 1715 B10R1.8 Cc1cc(nc(c1)F)C=O AB75168 [0,2,0,0,0,0|0,0,1]=3 1716 B10R1.8 Cc1cc(nc(c1)F)CCl AB78353 [0,2,0,0,0,0|0,0,0]=2 1717 B10R1.8 Cc1cc(nc(c1)F)CN AB80035 [0,2,0,0,0,0|0,0,0]=2 1718 B10R1.8 Cc1cc(nc(c1)I)C=O AB78891 [0,2,0,0,0,0|0,0,1]=3 1719 B10R1.8 Cc1cc(nc(c1)I)CCl AB78408 [0,2,0,0,0,0|0,0,0]=2 1720 B10R1.8 Cc1cc(nc(c1)I)CN AB80096 [0,2,0,0,0,0|0,0,0]=2 1721 B10R1.8 Cc1cc(nc(c1)N)CN AB76142 [0,2,0,0,0,0|0,0,0]=2 1722 B10R1.8 Cc1cc(nc(c1)O)C#N AB65668 [0,2,0,0,0,0|0,0,1]=3 1723 B10R1.8 Cc1cc(nc(c1)O)C=O AB79065 [0,2,0,0,0,0|0,0,1]=3 1724 B10R1.8 Cc1cc(nc(c1)O)CN AB80331 [0,2,0,0,0,0|0,0,0]=2 1725 B10R1.8 Cc1cc(nc(n1)C#N)Cl AB50819 [0,2,0,0,0,0|1,0,1]=4 1726 B10R1.8 Cc1cc(nc(n1)C)C=O AB58698 [0,2,0,0,0,0|1,0,0]=3 1727 B10R1.8 Cc1cc(nc(n1)CCl)C AB53816 [0,2,0,0,0,0|1,0,0]=3 1728 B10R1.8 Cc1cc(nc(n1)CCl)Cl AB59423 [0,2,0,0,0,0|1,0,0]=3 1729 B10R1.8 Cc1cc(nc(n1)CCl)O AB03648 [0,2,0,0,0,0|1,0,0]=3 1730 B10R1.8 Cc1cc(nc(n1)CN)C AB12971 [0,2,0,0,0,0|1,0,0]=3 1731 B10R1.8 Cc1cc(nc(n1)CN)Cl AB62683 [0,2,0,0,0,0|1,0,0]=3 1732 B10R1.8 Cc1cc(nc(n1)CN)O AB63185 [0,2,0,0,0,0|1,0,0]=3 1733 B10R1.8 Cc1cc(nc(n1)N)C=O AB58695 [0,2,0,0,0,0|1,0,1]=4 1734 B10R1.8 Cc1cc(nc(n1)NC)Cl AB44237 [0,2,0,0,0,0|1,0,0]=3 1735 B10R1.8 Cc1cc(nc(n1)NC)O AB43850 [0,2,0,0,0,0|1,0,0]=3 1736 B10R1.8 Cc1cc(nc(n1)O)C=O AB58710 [0,2,0,0,0,0|1,0,1]=4 1737 B10R1.8 Cc1cc(nc(n1)OC)Cl AB71553 [0,2,0,0,0,0|1,0,0]=3 1738 B10R1.8 Cc1nc(cc(n1)Cl)C=O AB58880 [0,2,0,0,0,0|1,0,1]=4 1739 B10R1.8 Cc1nc(cc(n1)Cl)SC PB19483 [0,2,0,0,0,0|1,0,0]=3 1740 B10R1.8 Cc1nc(cc(n1)O)C=O AB58876 [0,2,0,0,0,0|1,0,1]=4 1741 B10R1.8 c1c(cc(cc1Br)Br)CCl AB64268 [0,2,0,0,0,0|2,0,0]=4 1742 B10R1.8 c1c(cc(cc1Br)Br)CN AB14081 [0,2,0,0,0,0|2,0,0]=4 1743 B10R1.8 c1c(cc(cc1Br)I)CCl AB75535 [0,2,0,0,0,0|2,0,0]=4 1744 B10R1.8 c1c(cc(cc1Br)I)CN AB75533 [0,2,0,0,0,0|2,0,0]=4 1745 B10R1.8 c1c(cc(cc1Cl)Br)CN AB65611 [0,2,0,0,0,0|2,0,0]=4 1746 B10R1.8 c1c(cc(cc1Cl)Cl)CBr MB08756 [0,2,0,0,0,0|2,0,0]=4 1747 B10R1.8 c1c(cc(cc1Cl)Cl)CCl AB02384 [0,2,0,0,0,0|2,0,0]=4 1748 B10R1.8 c1c(cc(cc1Cl)Cl)CN AB02207 [0,2,0,0,0,0|2,0,0]=4 1749 B10R1.8 c1c(cc(cc1Cl)I)CCl AB75567 [0,2,0,0,0,0|2,0,0]=4 1750 B10R1.8 c1c(cc(cc1Cl)I)CN AB66525 [0,2,0,0,0,0|2,0,0]=4 1751 B10R1.8 c1c(cc(cc1F)Br)CCl AB64454 [0,2,0,0,0,0|2,0,0]=4 1752 B10R1.8 c1c(cc(cc1F)Br)CN AB64453 [0,2,0,0,0,0|2,0,0]=4 1753 B10R1.8 c1c(cc(cc1F)Br)CO AB20678 [0,2,0,0,0,0|2,0,0]=4 1754 B10R1.8 c1c(cc(cc1F)Cl)CCl AB63445 [0,2,0,0,0,0|2,0,0]=4 1755 B10R1.8 c1c(cc(cc1F)Cl)CN AB23446 [0,2,0,0,0,0|2,0,0]=4 1756 B10R1.8 c1c(cc(cc1F)F)CCl AB08246 [0,2,0,0,0,0|2,0,0]=4 1757 B10R1.8 c1c(cc(cc1F)F)CN AB02411 [0,2,0,0,0,0|2,0,0]=4 1758 B10R1.8 c1c(cc(cc1F)I)CCl AB75628 [0,2,0,0,0,0|2,0,0]=4 1759 B10R1.8 c1c(cc(cc1F)I)CN AB23372 [0,2,0,0,0,0|2,0,0]=4 1760 B10R1.8 c1c(cc(cc1I)I)CCl AB76608 [0,2,0,0,0,0|2,0,0]=4 1761 B10R1.8 c1c(cc(cc1I)I)CN AB77860 [0,2,0,0,0,0|2,0,0]=4 1762 B10R1.8 c1c(cc(cc1N)Br)CN AB75504 [0,2,0,0,0,0|2,0,0]=4 1763 B10R1.8 c1c(cc(cc1N)Cl)CN AB48602 [0,2,0,0,0,0|2,0,0]=4 1764 B10R1.8 c1c(cc(cc1N)Cl)CO AB63846 [0,2,0,0,0,0|2,0,0]=4 1765 B10R1.8 c1c(cc(cc1N)F)CN AB65614 [0,2,0,0,0,0|2,0,0]=4 1766 B10R1.8 c1c(cc(cc1N)I)CN AB75507 [0,2,0,0,0,0|2,0,0]=4 1767 B10R1.8 c1c(cc(cc1N)N)CN AB77912 [0,2,0,0,0,0|2,0,0]=4 1768 B10R1.8 c1c(cc(cc1N)O)CN AB71618 [0,2,0,0,0,0|2,0,0]=4 1769 B10R1.8 c1c(cc(cc1O)Br)CN AB71630 [0,2,0,0,0,0|2,0,0]=4 1770 B10R1.8 c1c(cc(cc1O)Cl)CN AB64548 [0,2,0,0,0,0|2,0,0]=4 1771 B10R1.8 c1c(cc(cc1O)Cl)CO AB43614 [0,2,0,0,0,0|2,0,0]=4 1772 B10R1.8 c1c(cc(cc1O)F)CN AB70799 [0,2,0,0,0,0|2,0,0]=4 1773 B10R1.8 c1c(cc(cc1O)I)CN AB71624 [0,2,0,0,0,0|2,0,0]=4 1774 B10R1.8 c1c(cc(cc1O)O)CN AB14084 [0,2,0,0,0,0|2,0,0]=4 1775 B10R1.8 c1c(cc(nc1Br)Br)C=O AB24810 [0,2,0,0,0,0|1,0,1]=4 1776 B10R1.8 c1c(cc(nc1Br)Br)CCl AB70981 [0,2,0,0,0,0|1,0,0]=3 1777 B10R1.8 c1c(cc(nc1Br)Br)CN AB75356 [0,2,0,0,0,0|1,0,0]=3 1778 B10R1.8 c1c(cc(nc1Br)Br)CO PB29704 [0,2,0,0,0,0|1,0,0]=3 1779 B10R1.8 c1c(cc(nc1Br)I)C=O AB79139 [0,2,0,0,0,0|1,0,1]=4 1780 B10R1.8 c1c(cc(nc1Br)I)CCl AB78720 [0,2,0,0,0,0|1,0,0]=3 1781 B10R1.8 c1c(cc(nc1Br)I)CN AB80437 [0,2,0,0,0,0|1,0,0]=3 1782 B10R1.8 c1c(cc(nc1C=O)Br)Br AB68241 [0,2,0,0,0,0|1,0,1]=4 1783 B10R1.8 c1c(cc(nc1C=O)Br)Cl AB67258 [0,2,0,0,0,0|1,0,1]=4 1784 B10R1.8 c1c(cc(nc1C=O)Br)F AB68031 [0,2,0,0,0,0|1,0,1]=4 1785 B10R1.8 c1c(cc(nc1C=O)Br)I AB78872 [0,2,0,0,0,0|1,0,1]=4 1786 B10R1.8 c1c(cc(nc1C=O)Br)N AB68107 [0,2,0,0,0,0|1,0,1]=4 1787 B10R1.8 c1c(cc(nc1C=O)Br)O AB78887 [0,2,0,0,0,0|1,0,1]=4 1788 B10R1.8 c1c(cc(nc1C=O)Cl)Br AB67308 [0,2,0,0,0,0|1,0,1]=4 1789 B10R1.8 c1c(cc(nc1C=O)Cl)Cl AB62517 [0,2,0,0,0,0|1,0,1]=4 1790 B10R1.8 c1c(cc(nc1C=O)Cl)F AB68025 [0,2,0,0,0,0|1,0,1]=4 1791 B10R1.8 c1c(cc(nc1C=O)Cl)I AB78865 [0,2,0,0,0,0|1,0,1]=4 1792 B10R1.8 c1c(cc(nc1C=O)Cl)N AB68105 [0,2,0,0,0,0|1,0,1]=4 1793 B10R1.8 c1c(cc(nc1C=O)Cl)O AB74846 [0,2,0,0,0,0|1,0,1]=4 1794 B10R1.8 c1c(cc(nc1C=O)F)Br AB72838 [0,2,0,0,0,0|1,0,1]=4 1795 B10R1.8 c1c(cc(nc1C=O)F)Cl AB78846 [0,2,0,0,0,0|1,0,1]=4 1796 B10R1.8 c1c(cc(nc1C=O)F)F AB78843 [0,2,0,0,0,0|1,0,1]=4 1797 B10R1.8 c1c(cc(nc1C=O)F)I AB78848 [0,2,0,0,0,0|1,0,1]=4 1798 B10R1.8 c1c(cc(nc1C=O)F)O AB78862 [0,2,0,0,0,0|1,0,1]=4 1799 B10R1.8 c1c(cc(nc1C=O)I)Br AB79019 [0,2,0,0,0,0|1,0,1]=4 1800 B10R1.8 c1c(cc(nc1C=O)I)Cl AB79008 [0,2,0,0,0,0|1,0,1]=4 1801 B10R1.8 c1c(cc(nc1C=O)I)F AB78986 [0,2,0,0,0,0|1,0,1]=4 1802 B10R1.8 c1c(cc(nc1C=O)I)O AB78911 [0,2,0,0,0,0|1,0,1]=4 1803 B10R1.8 c1c(cc(nc1C=O)O)Br AB79027 [0,2,0,0,0,0|1,0,1]=4 1804 B10R1.8 c1c(cc(nc1C=O)O)Cl AB79017 [0,2,0,0,0,0|1,0,1]=4 1805 B10R1.8 c1c(cc(nc1C=O)O)F AB79005 [0,2,0,0,0,0|1,0,1]=4 1806 B10R1.8 c1c(cc(nc1C=O)O)I AB79041 [0,2,0,0,0,0|1,0,1]=4 1807 B10R1.8 c1c(cc(nc1C=O)O)O AB78985 [0,2,0,0,0,0|1,0,1]=4 1808 B10R1.8 c1c(cc(nc1CCl)Br)Br AB78385 [0,2,0,0,0,0|1,0,0]=3 1809 B10R1.8 c1c(cc(nc1CCl)Br)Cl AB78552 [0,2,0,0,0,0|1,0,0]=3 1810 B10R1.8 c1c(cc(nc1CCl)Br)F AB78526 [0,2,0,0,0,0|1,0,0]=3 1811 B10R1.8 c1c(cc(nc1CCl)Br)I AB78387 [0,2,0,0,0,0|1,0,0]=3 1812 B10R1.8 c1c(cc(nc1CCl)Br)O AB78405 [0,2,0,0,0,0|1,0,0]=3 1813 B10R1.8 c1c(cc(nc1CCl)Cl)Br AB78369 [0,2,0,0,0,0|1,0,0]=3 1814 B10R1.8 c1c(cc(nc1CCl)Cl)Cl AB74558 [0,2,0,0,0,0|1,0,0]=3 1815 B10R1.8 c1c(cc(nc1CCl)Cl)F AB78523 [0,2,0,0,0,0|1,0,0]=3 1816 B10R1.8 c1c(cc(nc1CCl)Cl)I AB78371 [0,2,0,0,0,0|1,0,0]=3 1817 B10R1.8 c1c(cc(nc1CCl)Cl)O AB78384 [0,2,0,0,0,0|1,0,0]=3 1818 B10R1.8 c1c(cc(nc1CCl)F)Br AB72841 [0,2,0,0,0,0|1,0,0]=3 1819 B10R1.8 c1c(cc(nc1CCl)F)Cl AB78349 [0,2,0,0,0,0|1,0,0]=3 1820 B10R1.8 c1c(cc(nc1CCl)F)F AB78346 [0,2,0,0,0,0|1,0,0]=3 1821 B10R1.8 c1c(cc(nc1CCl)F)I AB78352 [0,2,0,0,0,0|1,0,0]=3 1822 B10R1.8 c1c(cc(nc1CCl)F)O AB78366 [0,2,0,0,0,0|1,0,0]=3 1823 B10R1.8 c1c(cc(nc1CCl)I)Br AB78567 [0,2,0,0,0,0|1,0,0]=3 1824 B10R1.8 c1c(cc(nc1CCl)I)Cl AB78555 [0,2,0,0,0,0|1,0,0]=3 1825 B10R1.8 c1c(cc(nc1CCl)I)F AB78529 [0,2,0,0,0,0|1,0,0]=3 1826 B10R1.8 c1c(cc(nc1CCl)I)O AB78424 [0,2,0,0,0,0|1,0,0]=3 1827 B10R1.8 c1c(cc(nc1CCl)N)F AB78536 [0,2,0,0,0,0|1,0,0]=3 1828 B10R1.8 c1c(cc(nc1CN)Br)Br AB80071 [0,2,0,0,0,0|1,0,0]=3 1829 B10R1.8 c1c(cc(nc1CN)Br)Cl AB75027 [0,2,0,0,0,0|1,0,0]=3 1830 B10R1.8 c1c(cc(nc1CN)Br)F AB80221 [0,2,0,0,0,0|1,0,0]=3 1831 B10R1.8 c1c(cc(nc1CN)Br)I AB80074 [0,2,0,0,0,0|1,0,0]=3 1832 B10R1.8 c1c(cc(nc1CN)Br)N AB74598 [0,2,0,0,0,0|1,0,0]=3 1833 B10R1.8 c1c(cc(nc1CN)Br)O AB80093 [0,2,0,0,0,0|1,0,0]=3 1834 B10R1.8 c1c(cc(nc1CN)Cl)Br AB80055 [0,2,0,0,0,0|1,0,0]=3 1835 B10R1.8 c1c(cc(nc1CN)Cl)Cl AB62527 [0,2,0,0,0,0|1,0,0]=3 1836 B10R1.8 c1c(cc(nc1CN)Cl)F AB80218 [0,2,0,0,0,0|1,0,0]=3 1837 B10R1.8 c1c(cc(nc1CN)Cl)I AB80057 [0,2,0,0,0,0|1,0,0]=3 1838 B10R1.8 c1c(cc(nc1CN)Cl)N AB80061 [0,2,0,0,0,0|1,0,0]=3 1839 B10R1.8 c1c(cc(nc1CN)Cl)O AB80068 [0,2,0,0,0,0|1,0,0]=3 1840 B10R1.8 c1c(cc(nc1CN)F)Br AB72834 [0,2,0,0,0,0|1,0,0]=3 1841 B10R1.8 c1c(cc(nc1CN)F)Cl AB80030 [0,2,0,0,0,0|1,0,0]=3 1842 B10R1.8 c1c(cc(nc1CN)F)F AB80027 [0,2,0,0,0,0|1,0,0]=3 1843 B10R1.8 c1c(cc(nc1CN)F)I AB80031 [0,2,0,0,0,0|1,0,0]=3 1844 B10R1.8 c1c(cc(nc1CN)F)N AB80039 [0,2,0,0,0,0|1,0,0]=3 1845 B10R1.8 c1c(cc(nc1CN)F)O AB80053 [0,2,0,0,0,0|1,0,0]=3 1846 B10R1.8 c1c(cc(nc1CN)I)Br AB80260 [0,2,0,0,0,0|1,0,0]=3 1847 B10R1.8 c1c(cc(nc1CN)I)Cl AB80246 [0,2,0,0,0,0|1,0,0]=3 1848 B10R1.8 c1c(cc(nc1CN)I)F AB80222 [0,2,0,0,0,0|1,0,0]=3 1849 B10R1.8 c1c(cc(nc1CN)I)N AB80101 [0,2,0,0,0,0|1,0,0]=3 1850 B10R1.8 c1c(cc(nc1CN)I)O AB80112 [0,2,0,0,0,0|1,0,0]=3 1851 B10R1.8 c1c(cc(nc1CN)N)Br AB80266 [0,2,0,0,0,0|1,0,0]=3 1852 B10R1.8 c1c(cc(nc1CN)N)Cl AB80252 [0,2,0,0,0,0|1,0,0]=3 1853 B10R1.8 c1c(cc(nc1CN)N)F AB80230 [0,2,0,0,0,0|1,0,0]=3 1854 B10R1.8 c1c(cc(nc1CN)N)I AB80282 [0,2,0,0,0,0|1,0,0]=3 1855 B10R1.8 c1c(cc(nc1CN)N)N AB80197 [0,2,0,0,0,0|1,0,0]=3 1856 B10R1.8 c1c(cc(nc1CN)N)O AB80194 [0,2,0,0,0,0|1,0,0]=3 1857 B10R1.8 c1c(cc(nc1CN)O)Br AB80276 [0,2,0,0,0,0|1,0,0]=3 1858 B10R1.8 c1c(cc(nc1CN)O)Cl AB80258 [0,2,0,0,0,0|1,0,0]=3 1859 B10R1.8 c1c(cc(nc1CN)O)F AB80245 [0,2,0,0,0,0|1,0,0]=3 1860 B10R1.8 c1c(cc(nc1CN)O)I AB80296 [0,2,0,0,0,0|1,0,0]=3 1861 B10R1.8 c1c(cc(nc1CN)O)N AB80381 [0,2,0,0,0,0|1,0,0]=3 1862 B10R1.8 c1c(cc(nc1CN)O)O AB80216 [0,2,0,0,0,0|1,0,0]=3 1863 B10R1.8 c1c(cc(nc1Cl)Br)C=O AB67259 [0,2,0,0,0,0|1,0,1]=4 1864 B10R1.8 c1c(cc(nc1Cl)Br)CCl AB70693 [0,2,0,0,0,0|1,0,0]=3 1865 B10R1.8 c1c(cc(nc1Cl)Br)CN AB68222 [0,2,0,0,0,0|1,0,0]=3 1866 B10R1.8 c1c(cc(nc1Cl)Cl)C=O AB03506 [0,2,0,0,0,0|1,0,1]=4 1867 B10R1.8 c1c(cc(nc1Cl)Cl)CCl AB15881 [0,2,0,0,0,0|1,0,0]=3 1868 B10R1.8 c1c(cc(nc1Cl)Cl)CN AB23327 [0,2,0,0,0,0|1,0,0]=3 1869 B10R1.8 c1c(cc(nc1Cl)I)C=O AB79128 [0,2,0,0,0,0|1,0,1]=4 1870 B10R1.8 c1c(cc(nc1Cl)I)CCl AB78704 [0,2,0,0,0,0|1,0,0]=3 1871 B10R1.8 c1c(cc(nc1Cl)I)CN AB80418 [0,2,0,0,0,0|1,0,0]=3 1872 B10R1.8 c1c(cc(nc1F)Br)C=O AB70772 [0,2,0,0,0,0|1,0,1]=4 1873 B10R1.8 c1c(cc(nc1F)Br)CCl AB70773 [0,2,0,0,0,0|1,0,0]=3 1874 B10R1.8 c1c(cc(nc1F)Br)CN AB80398 [0,2,0,0,0,0|1,0,0]=3 1875 B10R1.8 c1c(cc(nc1F)Cl)C=O AB70951 [0,2,0,0,0,0|1,0,1]=4 1876 B10R1.8 c1c(cc(nc1F)Cl)CCl AB70992 [0,2,0,0,0,0|1,0,0]=3 1877 B10R1.8 c1c(cc(nc1F)Cl)CN AB80397 [0,2,0,0,0,0|1,0,0]=3 1878 B10R1.8 c1c(cc(nc1F)F)C#N AB31608 [0,2,0,0,0,0|1,0,1]=4 1879 B10R1.8 c1c(cc(nc1N)Br)CCl AB78725 [0,2,0,0,0,0|1,0,0]=3 1880 B10R1.8 c1c(cc(nc1N)Br)CN AB80444 [0,2,0,0,0,0|1,0,0]=3 1881 B10R1.8 c1c(cc(nc1N)Cl)CCl AB78712 [0,2,0,0,0,0|1,0,0]=3 1882 B10R1.8 c1c(cc(nc1N)Cl)CN AB80426 [0,2,0,0,0,0|1,0,0]=3 1883 B10R1.8 c1c(cc(nc1N)F)CCl AB78698 [0,2,0,0,0,0|1,0,0]=3 1884 B10R1.8 c1c(cc(nc1N)F)CN AB80407 [0,2,0,0,0,0|1,0,0]=3 1885 B10R1.8 c1c(cc(nc1N)I)CCl AB78742 [0,2,0,0,0,0|1,0,0]=3 1886 B10R1.8 c1c(cc(nc1N)I)CN AB80465 [0,2,0,0,0,0|1,0,0]=3 1887 B10R1.8 c1c(cc(nc1N)N)CCl AB78821 [0,2,0,0,0,0|1,0,0]=3 1888 B10R1.8 c1c(cc(nc1N)N)CN AB76251 [0,2,0,0,0,0|1,0,0]=3 1889 B10R1.8 c1c(cc(nc1N)O)CCl AB78820 [0,2,0,0,0,0|1,0,0]=3 1890 B10R1.8 c1c(cc(nc1N)O)CN AB80546 [0,2,0,0,0,0|1,0,0]=3 1891 B10R1.8 c1c(cc(nc1O)Br)C=O AB79149 [0,2,0,0,0,0|1,0,1]=4 1892 B10R1.8 c1c(cc(nc1O)Br)CCl AB78733 [0,2,0,0,0,0|1,0,0]=3 1893 B10R1.8 c1c(cc(nc1O)Br)CN AB80459 [0,2,0,0,0,0|1,0,0]=3 1894 B10R1.8 c1c(cc(nc1O)Cl)C=O AB70932 [0,2,0,0,0,0|1,0,1]=4 1895 B10R1.8 c1c(cc(nc1O)Cl)CCl AB70974 [0,2,0,0,0,0|1,0,0]=3 1896 B10R1.8 c1c(cc(nc1O)Cl)CN AB80436 [0,2,0,0,0,0|1,0,0]=3 1897 B10R1.8 c1c(cc(nc1O)F)C=O AB71295 [0,2,0,0,0,0|1,0,1]=4 1898 B10R1.8 c1c(cc(nc1O)F)CCl AB71234 [0,2,0,0,0,0|1,0,0]=3 1899 B10R1.8 c1c(cc(nc1O)F)CN AB80417 [0,2,0,0,0,0|1,0,0]=3 1900 B10R1.8 c1c(cc(nc1O)I)C=O AB79167 [0,2,0,0,0,0|1,0,1]=4 1901 B10R1.8 c1c(cc(nc1O)I)CCl AB78754 [0,2,0,0,0,0|1,0,0]=3 1902 B10R1.8 c1c(cc(nc1O)I)CN AB80476 [0,2,0,0,0,0|1,0,0]=3 1903 B10R1.8 c1c(cc(nc1O)O)C=O AB79223 [0,2,0,0,0,0|1,0,1]=4 1904 B10R1.8 c1c(cc(nc1O)O)CCl AB78842 [0,2,0,0,0,0|1,0,0]=3 1905 B10R1.8 c1c(cc(nc1O)O)CN AB80567 [0,2,0,0,0,0|1,0,0]=3 1906 B10R1.8 c1c(nc(nc1Cl)CCl)Cl AB59418 [0,2,0,0,0,0|2,0,0]=4 1907 B10R1.8 c1c(nc(nc1Cl)CN)Cl AB62655 [0,2,0,0,0,0|2,0,0]=4 1908 B10R1.10 C#CCc1cccc(c1)Br AB61399 [0,2,0,0,0,0|2,0,0]=4 1909 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [0,2,0,0,0,0|2,0,0]=4 1910 B10R1.10 C#CCc1cccc(c1)I AB73228 [0,2,0,0,0,0|2,0,0]=4 1911 B10R1.10 CC#Cc1ccnc(n1)Cl AB52922 [0,2,0,0,0,0|2,0,0]=4 1912 B10R1.10 CCCc1ccnc(c1)N AB03633 [0,2,0,0,0,0|1,0,0]=3 1913 B10R1.10 CCOc1cc(ccn1)Br AB05209 [0,2,0,0,0,0|1,0,0]=3 1914 B10R1.10 CCOc1cc(ccn1)N AB05301 [0,2,0,0,0,0|1,0,0]=3 1915 B10R1.10 CCOc1cc(ncn1)Br MB14207 [0,2,0,0,0,0|2,0,0]=4 1916 B10R1.10 CCOc1cc(ncn1)Cl AB16426 [0,2,0,0,0,0|2,0,0]=4 1917 B10R1.10 CCOc1ccnc(c1)N AB09620 [0,2,0,0,0,0|1,0,0]=3 1918 B10R1.10 CCOc1ccnc(n1)Br MB14088 [0,2,0,0,0,0|2,0,0]=4 1919 B10R1.10 CCOc1nccc(n1)Br AB54363 [0,2,0,0,0,0|2,0,0]=4 1920 B10R1.10 CNCc1cc(ccn1)Br AB40680 [0,2,0,0,0,0|1,0,0]=3 1921 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [0,2,0,0,0,0|1,0,0]=3 1922 B10R1.10 CNCc1cc(ccn1)F AB68057 [0,2,0,0,0,0|1,0,0]=3 1923 B10R1.10 CNCc1cc(ccn1)N AB40666 [0,2,0,0,0,0|1,0,0]=3 1924 B10R1.10 CNCc1ccnc(c1)Br AB67272 [0,2,0,0,0,0|1,0,0]=3 1925 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [0,2,0,0,0,0|1,0,0]=3 1926 B10R1.10 Cc1cc(ccn1)CCN AB55165 [0,2,0,0,0,0|0,0,0]=2 1927 B10R1.10 Cc1cc(ccn1)CNC AB53841 [0,2,0,0,0,0|0,0,0]=2 1928 B10R1.10 Cc1cc(ccn1)N=C=O AB74181 [0,2,0,0,0,0|0,0,1]=3 1929 B10R1.10 Cc1cc(ccn1)\C=N\O AB72010 [0,2,0,0,0,0|0,0,1]=3 1930 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,2,0,0,0,0|2,0,0]=4 1931 B10R1.10 Cc1cc(cnc1)CNC AB67507 [0,2,0,0,0,0|2,0,0]=4 1932 B10R1.10 Cc1cc(ncn1)CCN AB64311 [0,2,0,0,0,0|1,0,0]=3 1933 B10R1.10 Cc1cccc(c1)CC=O AB11815 [0,2,0,0,0,0|1,0,0]=3 1934 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,2,0,0,0,0|2,0,0]=4 1935 B10R1.10 Cc1cccc(n1)CNC AB01381 [0,2,0,0,0,0|2,0,0]=4 1936 B10R1.10 Cc1ccnc(c1)CNC AB52584 [0,2,0,0,0,0|0,0,0]=2 1937 B10R1.10 Cc1ccnc(n1)CCN AB59280 [0,2,0,0,0,0|1,0,0]=3 1938 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [0,2,0,0,0,0|2,0,0]=4 1939 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [0,2,0,0,0,0|2,0,0]=4 1940 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [0,2,0,0,0,0|2,0,0]=4 1941 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [0,2,0,0,0,0|2,0,0]=4 1942 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [0,2,0,0,0,0|2,0,0]=4 1943 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [0,2,0,0,0,0|2,0,0]=4 1944 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [0,2,0,0,0,0|2,0,0]=4 1945 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [0,2,0,0,0,0|2,0,0]=4 1946 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [0,2,0,0,0,0|2,0,0]=4 1947 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [0,2,0,0,0,0|2,0,0]=4 1948 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [0,2,0,0,0,0|2,0,0]=4 1949 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [0,2,0,0,0,0|2,0,0]=4 1950 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [0,2,0,0,0,0|2,0,0]=4 1951 B10R1.10 c1cnc(cc1Br)CCN AB55853 [0,2,0,0,0,0|1,0,0]=3 1952 B10R1.10 c1cnc(cc1CC#N)Br AB63148 [0,2,0,0,0,0|1,0,0]=3 1953 B10R1.10 c1cnc(cc1CC#N)F AB55155 [0,2,0,0,0,0|1,0,0]=3 1954 B10R1.10 c1cnc(cc1CCBr)F AB72866 [0,2,0,0,0,0|1,0,0]=3 1955 B10R1.10 c1cnc(cc1CCN)Br AB45468 [0,2,0,0,0,0|1,0,0]=3 1956 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [0,2,0,0,0,0|1,0,0]=3 1957 B10R1.10 c1cnc(cc1CCN)F AB55184 [0,2,0,0,0,0|1,0,0]=3 1958 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [0,2,0,0,0,0|1,0,0]=3 1959 B10R1.10 c1cnc(cc1F)CCN AB55195 [0,2,0,0,0,0|1,0,0]=3 1960 B10R1.10 c1cnc(cc1N=C=O)Br AB74176 [0,2,0,0,0,0|1,0,1]=4 1961 B10R1.10 c1cnc(cc1N=C=O)Cl AB74173 [0,2,0,0,0,0|1,0,1]=4 1962 B10R1.10 c1cnc(cc1N=C=O)F AB74172 [0,2,0,0,0,0|1,0,1]=4 1963 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [0,2,0,0,0,0|2,0,0]=4 1964 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [0,2,0,0,0,0|2,0,0]=4 1965 B10R1.10 c1cnc(nc1N)CCN AB59298 [0,2,0,0,0,0|2,0,0]=4 1966 B10R1.10 c1cnc(nc1O)CCN AB59283 [0,2,0,0,0,0|2,0,0]=4 1967 B10R1.30 CCc1cc(ccc1Br)O MB23770 [0,2,0,0,0,0|2,0,0]=4 1968 B10R1.30 CCc1cc(ccc1C)O MB23722 [0,2,0,0,0,0|2,0,0]=4 1969 B10R1.30 CCc1cc(ccc1F)O MB23754 [0,2,0,0,0,0|2,0,0]=4 1970 B10R1.30 CCc1cc(ccc1I)O MB09270 [0,2,0,0,0,0|2,0,0]=4 1971 B10R1.30 CCc1cc(ccc1N)O MB23757 [0,2,0,0,0,0|2,0,0]=4 1972 B10R1.30 CCc1cc(ccc1O)Br MB00480 [0,2,0,0,0,0|2,0,0]=4 1973 B10R1.30 CCc1cc(ccc1O)C MB23622 [0,2,0,0,0,0|1,0,0]=3 1974 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [0,2,0,0,0,0|2,0,0]=4 1975 B10R1.30 CCc1cc(ccc1O)I MB23657 [0,2,0,0,0,0|2,0,0]=4 1976 B10R1.30 CCc1cc(ccc1O)N MB23663 [0,2,0,0,0,0|2,0,0]=4 1977 B10R1.30 CNc1c(cnc(n1)Cl)N AB42019 [0,2,0,0,0,0|2,0,0]=4 1978 B10R1.30 CNc1c(cnc(n1)N)N MB19707 [0,2,0,0,0,0|2,0,0]=4 1979 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [0,2,0,0,0,0|2,0,0]=4 1980 B10R1.30 CNc1cc(ccc1F)O MB28645 [0,2,0,0,0,0|2,0,0]=4 1981 B10R1.30 CNc1cc(ccc1I)O MB33108 [0,2,0,0,0,0|2,0,0]=4 1982 B10R1.30 CNc1cc(ccc1N)O MB33092 [0,2,0,0,0,0|2,0,0]=4 1983 B10R1.30 CNc1cc(ccc1O)Br MB32072 [0,2,0,0,0,0|2,0,0]=4 1984 B10R1.30 CNc1cc(ccc1O)F MB26737 [0,2,0,0,0,0|2,0,0]=4 1985 B10R1.30 CNc1cc(ccc1O)I MB35760 [0,2,0,0,0,0|2,0,0]=4 1986 B10R1.30 CNc1cc(ccc1O)N MB28647 [0,2,0,0,0,0|2,0,0]=4 1987 B10R1.30 COc1c(cnc(n1)Cl)Br PB12272 [0,2,0,0,0,0|2,0,0]=4 1988 B10R1.30 COc1cc(ccc1Br)O MB00359 [0,2,0,0,0,0|2,0,0]=4 1989 B10R1.30 COc1cc(ccc1Cl)O MB25434 [0,2,0,0,0,0|2,0,0]=4 1990 B10R1.30 COc1cc(ccc1F)O MB08744 [0,2,0,0,0,0|2,0,0]=4 1991 B10R1.30 COc1cc(ccc1I)Br CB11560 [0,2,0,0,0,0|2,0,0]=4 1992 B10R1.30 COc1cc(ccc1I)O MB29625 [0,2,0,0,0,0|2,0,0]=4 1993 B10R1.30 COc1cc(ccc1N)F MB00562 [0,2,0,0,0,0|2,0,0]=4 1994 B10R1.30 COc1cc(ccc1N)O MB01122 [0,2,0,0,0,0|2,0,0]=4 1995 B10R1.30 COc1cc(ccc1O)Br PB30583 [0,2,0,0,0,0|2,0,0]=4 1996 B10R1.30 COc1cc(ccc1O)I MB05217 [0,2,0,0,0,0|2,0,0]=4 1997 B10R1.30 COc1cc(ncc1Cl)N AB70478 [0,2,0,0,0,0|1,0,0]=3 1998 B10R1.30 COc1cc(nnc1Cl)Cl AB06292 [0,2,0,0,0,0|2,0,0]=4 1999 B10R1.30 CSc1c(cnc(n1)Cl)Br PB27822 [0,2,0,0,0,0|2,0,0]=4 2000 B10R1.30 CSc1cc(ccc1Br)O MB38334 [0,2,0,0,0,0|2,0,0]=4 2001 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [0,2,0,0,0,0|2,0,0]=4 2002 B10R1.30 CSc1cc(ccc1F)O MB25679 [0,2,0,0,0,0|2,0,0]=4 2003 B10R1.30 CSc1cc(ccc1I)O MB30001 [0,2,0,0,0,0|2,0,0]=4 2004 B10R1.30 CSc1cc(ccc1N)O MB25516 [0,2,0,0,0,0|2,0,0]=4 2005 B10R1.30 CSc1cc(ccc1O)Br MB28713 [0,2,0,0,0,0|2,0,0]=4 2006 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [0,2,0,0,0,0|2,0,0]=4 2007 B10R1.30 CSc1cc(ccc1O)F MB35476 [0,2,0,0,0,0|2,0,0]=4 2008 B10R1.30 CSc1cc(ccc1O)N MB29519 [0,2,0,0,0,0|2,0,0]=4 2009 B10R1.30 Cc1cc(c(cn1)Br)C=O AB68164 [0,2,0,0,0,0|0,0,1]=3 2010 B10R1.30 Cc1cc(c(cn1)Br)CN AB68167 [0,2,0,0,0,0|0,0,0]=2 2011 B10R1.30 Cc1cc(c(cn1)Br)OC AB40816 [0,2,0,0,0,0|0,0,0]=2 2012 B10R1.30 Cc1cc(c(cn1)C)C=O AB74126 [0,2,0,0,0,0|0,0,1]=3 2013 B10R1.30 Cc1cc(c(cn1)C)CCl AB75401 [0,2,0,0,0,0|0,0,0]=2 2014 B10R1.30 Cc1cc(c(cn1)C)CN AB76782 [0,2,0,0,0,0|0,0,0]=2 2015 B10R1.30 Cc1cc(c(cn1)Cl)C=O AB68146 [0,2,0,0,0,0|0,0,1]=3 2016 B10R1.30 Cc1cc(c(cn1)Cl)CN AB68151 [0,2,0,0,0,0|0,0,0]=2 2017 B10R1.30 Cc1cc(c(cn1)N)C=O AB83642 [0,2,0,0,0,0|0,0,1]=3 2018 B10R1.30 Cc1cc(c(cn1)O)C=O AB76792 [0,2,0,0,0,0|0,0,1]=3 2019 B10R1.30 Cc1cc(c(nc1)Br)CCl AB71047 [0,2,0,0,0,0|2,0,0]=4 2020 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [0,2,0,0,0,0|2,0,0]=4 2021 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [0,2,0,0,0,0|2,0,0]=4 2022 B10R1.30 Cc1cc(c(nc1)Cl)CCl AB71113 [0,2,0,0,0,0|2,0,0]=4 2023 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [0,2,0,0,0,0|2,0,0]=4 2024 B10R1.30 Cc1cc(c(nc1)F)CCl AB71237 [0,2,0,0,0,0|2,0,0]=4 2025 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [0,2,0,0,0,0|2,0,0]=4 2026 B10R1.30 Cc1cc(c(nc1)N)CCl AB70870 [0,2,0,0,0,0|2,0,0]=4 2027 B10R1.30 Cc1cc(c(nn1)O)CN PB23030 [0,2,0,0,0,0|1,0,0]=3 2028 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [0,2,0,0,0,0|1,0,1]=4 2029 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [0,2,0,0,0,0|1,0,1]=4 2030 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [0,2,0,0,0,0|1,0,0]=3 2031 B10R1.30 Cc1ccc(c(n1)CN)Br AB68170 [0,2,0,0,0,0|2,0,0]=4 2032 B10R1.30 Cc1ccc(c(n1)CN)Cl AB68153 [0,2,0,0,0,0|2,0,0]=4 2033 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [0,2,0,0,0,0|2,0,0]=4 2034 B10R1.30 Cc1ccc(cc1CN)O MB26411 [0,2,0,0,0,0|2,0,0]=4 2035 B10R1.30 Cc1ccc(cc1NC)O MB36159 [0,2,0,0,0,0|2,0,0]=4 2036 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,2,0,0,0,0|2,0,0]=4 2037 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,2,0,0,0,0|2,0,0]=4 2038 B10R1.30 Cc1ccc(nc1CCl)C AB75390 [0,2,0,0,0,0|2,0,0]=4 2039 B10R1.30 Cc1ccc(nc1CN)C AB65466 [0,2,0,0,0,0|2,0,0]=4 2040 B10R1.30 Cc1cnc(cc1C=O)Cl AB67498 [0,2,0,0,0,0|1,0,1]=4 2041 B10R1.30 Cc1cnc(cc1C=O)F AB71344 [0,2,0,0,0,0|1,0,1]=4 2042 B10R1.30 Cc1cnc(cc1CCl)Cl AB71119 [0,2,0,0,0,0|1,0,0]=3 2043 B10R1.30 Cc1cnc(cc1CCl)F AB71241 [0,2,0,0,0,0|1,0,0]=3 2044 B10R1.30 Cc1cnc(cc1CN)Cl AB75278 [0,2,0,0,0,0|1,0,0]=3 2045 B10R1.30 Cc1cnc(cc1CN)F AB82870 [0,2,0,0,0,0|1,0,0]=3 2046 B10R1.30 c1c(c(cnc1Br)Br)C=O AB56403 [0,2,0,0,0,0|1,0,1]=4 2047 B10R1.30 c1c(c(cnc1Br)Cl)C=O AB54689 [0,2,0,0,0,0|1,0,1]=4 2048 B10R1.30 c1c(c(cnc1Br)F)C=O AB52575 [0,2,0,0,0,0|1,0,1]=4 2049 B10R1.30 c1c(c(cnc1Br)N)C=O AB76683 [0,2,0,0,0,0|1,0,1]=4 2050 B10R1.30 c1c(c(cnc1Br)O)C=O AB69284 [0,2,0,0,0,0|1,0,1]=4 2051 B10R1.30 c1c(c(cnc1Cl)Br)C=O PB13444 [0,2,0,0,0,0|1,0,1]=4 2052 B10R1.30 c1c(c(cnc1Cl)Cl)C=O AB24822 [0,2,0,0,0,0|1,0,1]=4 2053 B10R1.30 c1c(c(cnc1Cl)Cl)CCl AB69878 [0,2,0,0,0,0|1,0,0]=3 2054 B10R1.30 c1c(c(cnc1Cl)Cl)CN AB68213 [0,2,0,0,0,0|1,0,0]=3 2055 B10R1.30 c1c(c(cnc1Cl)F)C=O AB20993 [0,2,0,0,0,0|1,0,1]=4 2056 B10R1.30 c1c(c(cnc1Cl)F)CCl AB70990 [0,2,0,0,0,0|1,0,0]=3 2057 B10R1.30 c1c(c(cnc1Cl)F)CN AB72294 [0,2,0,0,0,0|1,0,0]=3 2058 B10R1.30 c1c(c(cnc1Cl)N)C=O AB64790 [0,2,0,0,0,0|1,0,1]=4 2059 B10R1.30 c1c(c(cnc1Cl)O)C=O AB67782 [0,2,0,0,0,0|1,0,1]=4 2060 B10R1.30 c1c(c(cnc1N)Br)C=O AB66638 [0,2,0,0,0,0|1,0,1]=4 2061 B10R1.30 c1c(c(cnc1N)Cl)C=O AB72352 [0,2,0,0,0,0|1,0,1]=4 2062 B10R1.30 c1c(c(cnc1N)F)C=O AB72351 [0,2,0,0,0,0|1,0,1]=4 2063 B10R1.30 c1c(c(cnc1N)N)C=O AB76707 [0,2,0,0,0,0|1,0,1]=4 2064 B10R1.30 c1c(c(cnc1N)O)C=O AB84402 [0,2,0,0,0,0|1,0,1]=4 2065 B10R1.30 c1cc(c(cc1Br)CN)N AB23393 [0,2,0,0,0,0|2,0,0]=4 2066 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [0,2,0,0,0,0|2,0,0]=4 2067 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [0,2,0,0,0,0|2,0,0]=4 2068 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [0,2,0,0,0,0|2,0,0]=4 2069 B10R1.30 c1cc(c(cc1Cl)CN)N AB23303 [0,2,0,0,0,0|2,0,0]=4 2070 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [0,2,0,0,0,0|2,0,0]=4 2071 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [0,2,0,0,0,0|2,0,0]=4 2072 B10R1.30 c1cc(c(cc1F)CN)N AB23426 [0,2,0,0,0,0|2,0,0]=4 2073 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [0,2,0,0,0,0|2,0,0]=4 2074 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [0,2,0,0,0,0|2,0,0]=4 2075 B10R1.30 c1cc(c(cc1I)CBr)Cl AB43862 [0,2,0,0,0,0|2,0,0]=4 2076 B10R1.30 c1cc(c(cc1I)CN)Cl AB44524 [0,2,0,0,0,0|2,0,0]=4 2077 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [0,2,0,0,0,0|2,0,0]=4 2078 B10R1.30 c1cc(c(cc1N)CN)F AB23413 [0,2,0,0,0,0|2,0,0]=4 2079 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [0,2,0,0,0,0|2,0,0]=4 2080 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [0,2,0,0,0,0|2,0,0]=4 2081 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [0,2,0,0,0,0|2,0,0]=4 2082 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [0,2,0,0,0,0|2,0,0]=4 2083 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [0,2,0,0,0,0|2,0,0]=4 2084 B10R1.113 B(c1cc(ccn1)C)(O)O AB13221 [0,2,0,0,0,0|1,0,0]=3 2085 B10R1.113 B(c1cc(ccn1)F)(O)O AB43303 [0,2,0,0,0,0|2,0,0]=4 2086 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [0,2,0,0,0,0|2,0,0]=4 2087 B10R1.113 B(c1ccnc(c1)Br)(O)O AB29847 [0,2,0,0,0,0|2,0,0]=4 2088 B10R1.113 B(c1ccnc(c1)C)(O)O AB13715 [0,2,0,0,0,0|1,0,0]=3 2089 B10R1.113 B(c1ccnc(c1)Cl)(O)O AB15988 [0,2,0,0,0,0|2,0,0]=4 2090 B10R1.113 B(c1ccnc(c1)F)(O)O AB17600 [0,2,0,0,0,0|2,0,0]=4 2091 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,2,0,0,0,0|1,0,0]=3 2092 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,2,0,0,0,0|1,0,0]=3 2093 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,2,0,0,0,0|1,0,0]=3 2094 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,2,0,0,0,0|1,0,0]=3 2095 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [0,2,0,0,0,0|2,0,0]=4 2096 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [0,2,0,0,0,0|2,0,0]=4 2097 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,2,0,0,0,0|1,0,0]=3 2098 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,2,0,0,0,0|1,0,0]=3 2099 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,2,0,0,0,0|1,0,0]=3 2100 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,2,0,0,0,0|1,0,0]=3 2101 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [0,2,0,0,0,0|2,0,0]=4 2102 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [0,2,0,0,0,0|2,0,0]=4 2103 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [0,2,0,0,0,0|1,0,0]=3 2104 B10R1.113 CC(C)c1cc(ncn1)Br MB09511 [0,2,0,0,0,0|2,0,0]=4 2105 B10R1.113 CC(C)c1cc(ncn1)Cl AB51366 [0,2,0,0,0,0|2,0,0]=4 2106 B10R1.113 CC(C)c1cc(ncn1)N AB54959 [0,2,0,0,0,0|2,0,0]=4 2107 B10R1.113 CC(C)c1cc(ncn1)O AB54885 [0,2,0,0,0,0|2,0,0]=4 2108 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [0,2,0,0,0,0|1,0,0]=3 2109 B10R1.113 CC(C)c1nccc(n1)Br AB63999 [0,2,0,0,0,0|2,0,0]=4 2110 B10R1.113 CC(C)c1nccc(n1)Cl AB51255 [0,2,0,0,0,0|2,0,0]=4 2111 B10R1.113 CC(c1ccnc(c1)Cl)N AB67353 [0,2,0,0,0,0|1,0,0]=3 2112 B10R1.113 CN(C)c1cc(ccn1)Br AB64930 [0,2,0,0,0,0|1,0,0]=3 2113 B10R1.113 CN(C)c1cc(ccn1)Cl AB49336 [0,2,0,0,0,0|1,0,0]=3 2114 B10R1.113 CN(C)c1cc(ccn1)O MB15076 [0,2,0,0,0,0|1,0,0]=3 2115 B10R1.113 CN(C)c1cc(ncn1)Br MB14278 [0,2,0,0,0,0|2,0,0]=4 2116 B10R1.113 CN(C)c1ccnc(c1)Br CB11468 [0,2,0,0,0,0|1,0,0]=3 2117 B10R1.113 CN(C)c1ccnc(c1)Cl MB06813 [0,2,0,0,0,0|1,0,0]=3 2118 B10R1.113 CN(C)c1ccnc(n1)Br MB14133 [0,2,0,0,0,0|2,0,0]=4 2119 B10R1.113 CN(C)c1nccc(n1)Br MB08082 [0,2,0,0,0,0|2,0,0]=4 2120 B10R1.113 CN(C)c1nccc(n1)Cl AB05128 [0,2,0,0,0,0|2,0,0]=4 2121 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,2,0,0,0,0|2,0,0]=4 2122 B10R1.113 C[C@@H](c1ccnc(c1)Cl)N AB49742 [0,2,0,0,0,0|1,0,0]=3 2123 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,2,0,0,0,0|2,0,0]=4 2124 B10R1.113 C[C@H](c1ccnc(c1)Cl)N AB49740 [0,2,0,0,0,0|1,0,0]=3 2125 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,2,0,0,0,0|0,0,0]=2 2126 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,2,0,0,0,0|0,0,1]=3 2127 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,2,0,0,0,0|0,0,1]=3 2128 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [0,2,0,0,0,0|0,0,0]=2 2129 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] PB24788 [0,2,0,0,0,0|1,0,0]=3 2130 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [0,2,0,0,0,0|1,0,0]=3 2131 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [0,2,0,0,0,0|1,0,1]=4 2132 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,2,0,0,0,0|1,0,1]=4 2133 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,2,0,0,0,0|1,0,1]=4 2134 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,2,0,0,0,0|2,0,0]=4 2135 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [0,2,0,0,0,0|2,0,0]=4 2136 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,2,0,0,0,0|0,0,0]=2 2137 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,2,0,0,0,0|0,0,1]=3 2138 B10R1.113 Cc1ccnc(n1)C(=N)N PB15470 [0,2,0,0,0,0|1,0,1]=4 2139 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,2,0,0,0,0|1,0,1]=4 2140 B10R1.113 Cc1ccnc(n1)C(C)N AB59470 [0,2,0,0,0,0|1,0,0]=3 2141 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [0,2,0,0,0,0|1,0,0]=3 2142 B10R1.113 c1c(ncnc1O)C(F)F AB54871 [0,2,0,0,0,0|2,0,0]=4 2143 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,2,0,0,0,0|1,0,1]=4 2144 B10R1.113 c1cnc(cc1Br)C(F)F AB74876 [0,2,0,0,0,0|1,0,0]=3 2145 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [0,2,0,0,0,0|1,0,1]=4 2146 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [0,2,0,0,0,0|1,0,1]=4 2147 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [0,2,0,0,0,0|1,0,1]=4 2148 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,2,0,0,0,0|1,0,1]=4 2149 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,2,0,0,0,0|1,0,1]=4 2150 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,2,0,0,0,0|1,0,1]=4 2151 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,2,0,0,0,0|1,0,1]=4 2152 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,2,0,0,0,0|1,0,1]=4 2153 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,2,0,0,0,0|1,0,1]=4 2154 B10R1.113 c1cnc(cc1C(=S)N)Cl CB11453 [0,2,0,0,0,0|1,0,1]=4 2155 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,2,0,0,0,0|1,0,1]=4 2156 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,2,0,0,0,0|1,0,1]=4 2157 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,2,0,0,0,0|1,0,1]=4 2158 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,2,0,0,0,0|1,0,1]=4 2159 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,2,0,0,0,0|1,0,1]=4 2160 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,2,0,0,0,0|1,0,1]=4 2161 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,2,0,0,0,0|1,0,1]=4 2162 B10R1.113 c1cnc(cc1N)[N+](=O)[O-] AB17927 [0,2,0,0,0,0|2,0,0]=4 2163 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,2,0,0,0,0|1,0,1]=4 2164 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,2,0,0,0,0|1,0,1]=4 2165 B10R1.113 c1cnc(cc1[N+](=O)[O-])Br AB15753 [0,2,0,0,0,0|2,0,0]=4 2166 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl PB32222 [0,2,0,0,0,0|2,0,0]=4 2167 B10R1.113 c1cnc(cc1[N+](=O)[O-])N AB17924 [0,2,0,0,0,0|2,0,0]=4 2168 B10R1.172 C#Cc1cccc(c1)CN AB61367 [0,2,0,0,0,0|1,0,1]=4 2169 B10R1.172 C#Cc1ccnc(c1)C=O AB69038 [0,2,0,0,0,0|0,0,2]=4 2170 B10R1.172 CCc1cccc(c1)NN AB27881 [0,2,0,0,0,0|2,0,0]=4 2171 B10R1.172 CNc1cc(ccn1)C#N AB50451 [0,2,0,0,0,0|0,0,1]=3 2172 B10R1.172 CNc1ccnc(c1)OC AB60615 [0,2,0,0,0,0|0,0,0]=2 2173 B10R1.172 CNc1ccnc(n1)C#N AB52981 [0,2,0,0,0,0|1,0,1]=4 2174 B10R1.172 CNc1ccnc(n1)NC AB63464 [0,2,0,0,0,0|1,0,0]=3 2175 B10R1.172 COc1cc(ccn1)C#C AB68333 [0,2,0,0,0,0|0,0,1]=3 2176 B10R1.172 COc1cc(ccn1)C#N PB24932 [0,2,0,0,0,0|0,0,1]=3 2177 B10R1.172 COc1cc(ccn1)C=O PB32415 [0,2,0,0,0,0|0,0,1]=3 2178 B10R1.172 COc1cc(ccn1)CCl AB59894 [0,2,0,0,0,0|0,0,0]=2 2179 B10R1.172 COc1cc(ccn1)CN PB12590 [0,2,0,0,0,0|0,0,0]=2 2180 B10R1.172 COc1cc(ccn1)CO PB12206 [0,2,0,0,0,0|0,0,0]=2 2181 B10R1.172 COc1cc(cnc1)CCl AB67553 [0,2,0,0,0,0|2,0,0]=4 2182 B10R1.172 COc1cc(cnc1)CN PB36726 [0,2,0,0,0,0|2,0,0]=4 2183 B10R1.172 COc1cc(cnc1)CO PB11991 [0,2,0,0,0,0|2,0,0]=4 2184 B10R1.172 COc1cc(ncn1)CCl AB58959 [0,2,0,0,0,0|1,0,0]=3 2185 B10R1.172 COc1cc(ncn1)CN PB31189 [0,2,0,0,0,0|1,0,0]=3 2186 B10R1.172 COc1cccc(c1)C#C AB04227 [0,2,0,0,0,0|1,0,1]=4 2187 B10R1.172 COc1cccc(c1)C#N AB00159 [0,2,0,0,0,0|1,0,1]=4 2188 B10R1.172 COc1cccc(c1)C=O AB00318 [0,2,0,0,0,0|1,0,1]=4 2189 B10R1.172 COc1cccc(n1)CCl AB59984 [0,2,0,0,0,0|2,0,0]=4 2190 B10R1.172 COc1cccc(n1)CN AB64449 [0,2,0,0,0,0|2,0,0]=4 2191 B10R1.172 COc1cccc(n1)CO AB43774 [0,2,0,0,0,0|2,0,0]=4 2192 B10R1.172 COc1ccnc(c1)C=O AB43663 [0,2,0,0,0,0|0,0,1]=3 2193 B10R1.172 COc1ccnc(c1)CCl AB42302 [0,2,0,0,0,0|0,0,0]=2 2194 B10R1.172 COc1ccnc(c1)CCl MB05825 [0,2,0,0,0,0|0,0,0]=2 2195 B10R1.172 COc1ccnc(c1)CN AB63680 [0,2,0,0,0,0|0,0,0]=2 2196 B10R1.172 COc1ccnc(c1)CO AB42298 [0,2,0,0,0,0|0,0,0]=2 2197 B10R1.172 COc1ccnc(n1)C#N PB21341 [0,2,0,0,0,0|1,0,1]=4 2198 B10R1.172 COc1ccnc(n1)CCl AB59089 [0,2,0,0,0,0|1,0,0]=3 2199 B10R1.172 COc1ccnc(n1)CN AB63192 [0,2,0,0,0,0|1,0,0]=3 2200 B10R1.172 COc1nccc(n1)C=O AB44816 [0,2,0,0,0,0|1,0,1]=4 2201 B10R1.172 COc1nccc(n1)CCl AB58943 [0,2,0,0,0,0|1,0,0]=3 2202 B10R1.172 COc1nccc(n1)CN PB16289 [0,2,0,0,0,0|1,0,0]=3 2203 B10R1.172 COc1nccc(n1)CO PB24420 [0,2,0,0,0,0|1,0,0]=3 2204 B10R1.172 CSc1nccc(n1)C=O PB17294 [0,2,0,0,0,0|1,0,1]=4 2205 B10R1.172 CSc1nccc(n1)CCl AB58948 [0,2,0,0,0,0|1,0,0]=3 2206 B10R1.172 c1cc(cc(c1)C#N)CO CB10501 [0,2,0,0,0,0|1,0,1]=4 2207 B10R1.172 c1cc(nc(c1)CO)CN AB31423 [0,2,0,0,0,0|2,0,0]=4 2208 B10R1.172 c1cnc(cc1C#N)CCl AB60015 [0,2,0,0,0,0|0,0,1]=3 2209 B10R1.172 c1cnc(cc1C#N)CN AB68130 [0,2,0,0,0,0|0,0,1]=3 2210 B10R1.172 c1cnc(cc1C=O)C#N AB24814 [0,2,0,0,0,0|0,0,2]=4 2211 B10R1.172 c1cnc(cc1C=O)CN AB31349 [0,2,0,0,0,0|0,0,1]=3 2212 B10R1.172 c1cnc(cc1CBr)C#N AB56103 [0,2,0,0,0,0|0,0,1]=3 2213 B10R1.172 c1cnc(cc1CCl)C#N AB59898 [0,2,0,0,0,0|0,0,1]=3 2214 B10R1.172 c1cnc(cc1CN)C#N AB62810 [0,2,0,0,0,0|0,0,1]=3 2215 B10R1.172 c1cnc(cc1CO)C#N AB31352 [0,2,0,0,0,0|0,0,1]=3 2216 B10R1.172 c1cnc(nc1C=O)CBr MB10437 [0,2,0,0,0,0|1,0,1]=4 2217 B10R1.172 c1cnc(nc1C=O)CCl AB58728 [0,2,0,0,0,0|1,0,1]=4 2218 B10R1.172 c1cnc(nc1C=O)CO AB58724 [0,2,0,0,0,0|1,0,1]=4 2219 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [0,2,0,0,0,0|1,0,0]=3 2220 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [0,2,0,0,0,0|2,0,0]=4 2221 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [0,2,0,0,0,0|2,0,0]=4 2222 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [0,2,0,0,0,0|2,0,0]=4 2223 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [0,2,0,0,0,0|2,0,0]=4 2224 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [0,2,0,0,0,0|2,0,0]=4 2225 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [0,2,0,0,0,0|2,0,0]=4 2226 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [0,2,0,0,0,0|2,0,0]=4 2227 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [0,2,0,0,0,0|2,0,0]=4 2228 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [0,2,0,0,0,0|2,0,0]=4 2229 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [0,2,0,0,0,0|2,0,0]=4 2230 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [0,2,0,0,0,0|2,0,0]=4 2231 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [0,2,0,0,0,0|2,0,0]=4 2232 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [0,2,0,0,0,0|2,0,0]=4 2233 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [0,2,0,0,0,0|2,0,0]=4 2234 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [0,2,0,0,0,0|2,0,0]=4 2235 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [0,2,0,0,0,0|2,0,0]=4 2236 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [0,2,0,0,0,0|2,0,0]=4 2237 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [0,2,0,0,0,0|2,0,0]=4 2238 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [0,2,0,0,0,0|2,0,0]=4 2239 B10R1.176 COc1[nH]c(=O)c(cn1)F AB13904 [0,2,0,0,0,0|2,0,0]=4 2240 B10R1.176 COc1cc(c(cn1)Br)N PB16472 [0,2,0,0,0,0|1,0,0]=3 2241 B10R1.176 COc1cc(c(cn1)Cl)I AB71228 [0,2,0,0,0,0|1,0,0]=3 2242 B10R1.176 COc1cc(c(cn1)Cl)N AB68191 [0,2,0,0,0,0|1,0,0]=3 2243 B10R1.176 COc1cc(c(cn1)Cl)O AB69300 [0,2,0,0,0,0|1,0,0]=3 2244 B10R1.176 COc1cc(c(cn1)F)N AB70895 [0,2,0,0,0,0|1,0,0]=3 2245 B10R1.176 COc1cc(c(cn1)F)O AB69312 [0,2,0,0,0,0|1,0,0]=3 2246 B10R1.176 COc1cc(c(cn1)N)Cl AB75726 [0,2,0,0,0,0|1,0,0]=3 2247 B10R1.176 COc1cc(c(cn1)N)N AB51235 [0,2,0,0,0,0|1,0,0]=3 2248 B10R1.176 COc1cc(c(cn1)O)Cl AB70292 [0,2,0,0,0,0|1,0,0]=3 2249 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [0,2,0,0,0,0|2,0,0]=4 2250 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [0,2,0,0,0,0|2,0,0]=4 2251 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [0,2,0,0,0,0|2,0,0]=4 2252 B10R1.176 COc1ccc(c(c1)F)N AB09440 [0,2,0,0,0,0|2,0,0]=4 2253 B10R1.176 COc1ccc(c(c1)I)N AB42374 [0,2,0,0,0,0|2,0,0]=4 2254 B10R1.176 COc1ccc(c(c1)I)O MB07821 [0,2,0,0,0,0|2,0,0]=4 2255 B10R1.176 COc1ccc(c(c1)N)I AB45640 [0,2,0,0,0,0|2,0,0]=4 2256 B10R1.176 COc1ccc(c(c1)N)N AB02069 [0,2,0,0,0,0|2,0,0]=4 2257 B10R1.176 COc1ccc(c(c1)N)O AB25358 [0,2,0,0,0,0|2,0,0]=4 2258 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [0,2,0,0,0,0|2,0,0]=4 2259 B10R1.176 COc1ccc(c(c1)O)F MB25573 [0,2,0,0,0,0|2,0,0]=4 2260 B10R1.176 COc1ccc(c(c1)O)I MB12203 [0,2,0,0,0,0|2,0,0]=4 2261 B10R1.176 COc1ncc(c(n1)Cl)F AB52953 [0,2,0,0,0,0|2,0,0]=4 2262 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [0,2,0,0,0,0|2,0,0]=4 2263 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [0,2,0,0,0,0|2,0,0]=4 2264 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [0,2,0,0,0,0|2,0,0]=4 2265 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [0,2,0,0,0,0|2,0,0]=4 2266 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [0,2,0,0,0,0|2,0,0]=4 2267 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [0,2,0,0,0,0|2,0,0]=4 2268 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [0,2,0,0,0,0|2,0,0]=4 2269 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [0,2,0,0,0,0|2,0,0]=4 2270 B10R1.176 CSc1ncc(c(n1)Cl)Br PB10049 [0,2,0,0,0,0|2,0,0]=4 2271 B10R1.176 CSc1ncc(c(n1)Cl)Cl PB31816 [0,2,0,0,0,0|2,0,0]=4 2272 B10R1.176 CSc1ncc(c(n1)Cl)F PB19407 [0,2,0,0,0,0|2,0,0]=4 2273 B10R1.176 Cc1c(ccc(n1)CCl)Cl AB83321 [0,2,0,0,0,0|2,0,0]=4 2274 B10R1.176 Cc1c(ccc(n1)CCl)F AB83035 [0,2,0,0,0,0|2,0,0]=4 2275 B10R1.176 Cc1c(ccc(n1)CN)Cl AB75079 [0,2,0,0,0,0|2,0,0]=4 2276 B10R1.176 Cc1c(ccc(n1)CN)F AB75158 [0,2,0,0,0,0|2,0,0]=4 2277 B10R1.176 Cc1c(ccc(n1)OC)Br AB13393 [0,2,0,0,0,0|2,0,0]=4 2278 B10R1.176 Cc1cc(ccc1Br)C#N AB01529 [0,2,0,0,0,0|1,0,1]=4 2279 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [0,2,0,0,0,0|1,0,1]=4 2280 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [0,2,0,0,0,0|1,0,0]=3 2281 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [0,2,0,0,0,0|2,0,0]=4 2282 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [0,2,0,0,0,0|1,0,1]=4 2283 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [0,2,0,0,0,0|2,0,0]=4 2284 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [0,2,0,0,0,0|1,0,1]=4 2285 B10R1.176 Cc1cc(ccc1O)CN MB05062 [0,2,0,0,0,0|1,0,0]=3 2286 B10R1.176 Cc1cc(ccc1O)NC MB07546 [0,2,0,0,0,0|1,0,0]=3 2287 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [0,2,0,0,0,0|2,0,0]=4 2288 B10R1.176 Cc1cc(cnc1C)CCl AB75391 [0,2,0,0,0,0|2,0,0]=4 2289 B10R1.176 Cc1cc(cnc1C)CN AB70585 [0,2,0,0,0,0|2,0,0]=4 2290 B10R1.176 Cc1cc(cnc1C)OC AB85300 [0,2,0,0,0,0|2,0,0]=4 2291 B10R1.176 Cc1cc(cnc1Cl)CCl AB50053 [0,2,0,0,0,0|2,0,0]=4 2292 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [0,2,0,0,0,0|2,0,0]=4 2293 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [0,2,0,0,0,0|2,0,0]=4 2294 B10R1.176 Cc1cc(cnc1F)CCl AB64242 [0,2,0,0,0,0|2,0,0]=4 2295 B10R1.176 Cc1cc(cnc1F)CN AB83087 [0,2,0,0,0,0|2,0,0]=4 2296 B10R1.176 Cc1cc(cnc1N)OC AB73557 [0,2,0,0,0,0|2,0,0]=4 2297 B10R1.176 Cc1cc(ncc1Br)C#N AB41150 [0,2,0,0,0,0|0,0,1]=3 2298 B10R1.176 Cc1cc(ncc1Br)C=O AB41159 [0,2,0,0,0,0|0,0,1]=3 2299 B10R1.176 Cc1cc(ncc1Br)CN AB41153 [0,2,0,0,0,0|0,0,0]=2 2300 B10R1.176 Cc1cc(ncc1Br)NC AB41168 [0,2,0,0,0,0|0,0,0]=2 2301 B10R1.176 Cc1cc(ncc1Br)OC AB17469 [0,2,0,0,0,0|0,0,0]=2 2302 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [0,2,0,0,0,0|0,0,1]=3 2303 B10R1.176 Cc1cc(ncc1C)CCl AB64952 [0,2,0,0,0,0|0,0,0]=2 2304 B10R1.176 Cc1cc(ncc1C)CN AB65468 [0,2,0,0,0,0|0,0,0]=2 2305 B10R1.176 Cc1cc(ncc1Cl)C#N AB41147 [0,2,0,0,0,0|0,0,1]=3 2306 B10R1.176 Cc1cc(ncc1Cl)C=O AB41161 [0,2,0,0,0,0|0,0,1]=3 2307 B10R1.176 Cc1cc(ncc1Cl)CCl AB75108 [0,2,0,0,0,0|0,0,0]=2 2308 B10R1.176 Cc1cc(ncc1Cl)CN AB41152 [0,2,0,0,0,0|0,0,0]=2 2309 B10R1.176 Cc1cc(ncc1Cl)NC AB41164 [0,2,0,0,0,0|0,0,0]=2 2310 B10R1.176 Cc1cc(ncc1F)C=O AB75169 [0,2,0,0,0,0|0,0,1]=3 2311 B10R1.176 Cc1cc(ncc1F)CCl AB84689 [0,2,0,0,0,0|0,0,0]=2 2312 B10R1.176 Cc1cc(ncc1F)CN AB74877 [0,2,0,0,0,0|0,0,0]=2 2313 B10R1.176 Cc1cc(ncc1N)OC AB44888 [0,2,0,0,0,0|0,0,0]=2 2314 B10R1.176 Cc1ccc(cc1O)NC MB25401 [0,2,0,0,0,0|2,0,0]=4 2315 B10R1.176 Cc1ccc(cc1O)OC MB11905 [0,2,0,0,0,0|2,0,0]=4 2316 B10R1.176 Cc1ccc(cc1O)SC MB25438 [0,2,0,0,0,0|2,0,0]=4 2317 B10R1.176 Cc1ccc(nc1C)CCl AB64955 [0,2,0,0,0,0|2,0,0]=4 2318 B10R1.176 Cc1ccc(nc1C)CN AB65463 [0,2,0,0,0,0|2,0,0]=4 2319 B10R1.176 Cc1cnc(cc1Br)C=O AB70162 [0,2,0,0,0,0|1,0,1]=4 2320 B10R1.176 Cc1cnc(cc1Br)CCl AB70165 [0,2,0,0,0,0|1,0,0]=3 2321 B10R1.176 Cc1cnc(cc1Br)CN AB70168 [0,2,0,0,0,0|1,0,0]=3 2322 B10R1.176 Cc1cnc(cc1Cl)C=O AB67497 [0,2,0,0,0,0|1,0,1]=4 2323 B10R1.176 Cc1cnc(cc1Cl)CCl AB70036 [0,2,0,0,0,0|1,0,0]=3 2324 B10R1.176 Cc1cnc(cc1Cl)CN AB70034 [0,2,0,0,0,0|1,0,0]=3 2325 B10R1.176 Cc1cnc(cc1F)C=O AB82952 [0,2,0,0,0,0|1,0,1]=4 2326 B10R1.176 Cc1cnc(cc1F)CCl AB82954 [0,2,0,0,0,0|1,0,0]=3 2327 B10R1.176 Cc1cnc(cc1F)CN AB82957 [0,2,0,0,0,0|1,0,0]=3 2328 B10R1.176 Cc1cnc(cc1N)OC AB73589 [0,2,0,0,0,0|1,0,0]=3 2329 B10R1.176 Cc1cnc(nc1Cl)CN AB62662 [0,2,0,0,0,0|2,0,0]=4 2330 B10R1.176 Cn1cc(ccc1=O)CN PB15234 [0,2,0,0,0,0|2,0,0]=4 2331 B10R1.176 Cn1cc(ccc1=O)CO PB22835 [0,2,0,0,0,0|2,0,0]=4 2332 B10R1.176 Cn1ccc(cc1=O)CN PB15227 [0,2,0,0,0,0|1,0,1]=4 2333 B10R1.176 Cn1ccc(cc1=O)CO PB18199 [0,2,0,0,0,0|1,0,1]=4 2334 B10R1.176 c1c(ncc(c1Cl)Br)C=O AB67641 [0,2,0,0,0,0|1,0,1]=4 2335 B10R1.176 c1c(ncc(c1Cl)Cl)C=O AB67602 [0,2,0,0,0,0|1,0,1]=4 2336 B10R1.176 c1c(ncc(c1Cl)Cl)CCl AB70218 [0,2,0,0,0,0|1,0,0]=3 2337 B10R1.176 c1c(ncc(c1Cl)Cl)CN AB70217 [0,2,0,0,0,0|1,0,0]=3 2338 B10R1.176 c1c(ncc(c1Cl)F)C#N AB73177 [0,2,0,0,0,0|1,0,1]=4 2339 B10R1.176 c1c(ncc(c1Cl)F)C=O AB67655 [0,2,0,0,0,0|1,0,1]=4 2340 B10R1.176 c1c(ncc(c1Cl)F)CCl AB73175 [0,2,0,0,0,0|1,0,0]=3 2341 B10R1.176 c1c(ncc(c1Cl)F)CN AB73176 [0,2,0,0,0,0|1,0,0]=3 2342 B10R1.176 c1c(ncc(c1Cl)F)CO PB22370 [0,2,0,0,0,0|1,0,0]=3 2343 B10R1.176 c1c(ncc(c1Cl)N)C=O AB67744 [0,2,0,0,0,0|1,0,1]=4 2344 B10R1.176 c1c(ncc(c1Cl)N)CN AB83896 [0,2,0,0,0,0|1,0,0]=3 2345 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [0,2,0,0,0,0|1,0,1]=4 2346 B10R1.176 c1c(ncc(c1Cl)O)CCl AB84011 [0,2,0,0,0,0|1,0,0]=3 2347 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [0,2,0,0,0,0|1,0,0]=3 2348 B10R1.176 c1c(ncc(c1F)Cl)C=O AB82983 [0,2,0,0,0,0|1,0,1]=4 2349 B10R1.176 c1c(ncc(c1F)Cl)CCl AB82987 [0,2,0,0,0,0|1,0,0]=3 2350 B10R1.176 c1c(ncc(c1F)Cl)CN AB82989 [0,2,0,0,0,0|1,0,0]=3 2351 B10R1.176 c1c(ncc(c1F)F)C=O AB73186 [0,2,0,0,0,0|1,0,1]=4 2352 B10R1.176 c1c(ncc(c1N)Br)C#N PB33368 [0,2,0,0,0,0|1,0,1]=4 2353 B10R1.176 c1c(ncc(c1N)Cl)C=O AB83912 [0,2,0,0,0,0|1,0,1]=4 2354 B10R1.176 c1c(ncc(c1N)Cl)CN AB83917 [0,2,0,0,0,0|1,0,0]=3 2355 B10R1.176 c1c(ncc(c1O)Cl)C=O AB75002 [0,2,0,0,0,0|1,0,1]=4 2356 B10R1.176 c1c(ncc(c1O)Cl)CCl AB84042 [0,2,0,0,0,0|1,0,0]=3 2357 B10R1.176 c1c(ncc(c1O)Cl)CN AB84044 [0,2,0,0,0,0|1,0,0]=3 2358 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [0,2,0,0,0,0|2,0,0]=4 2359 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [0,2,0,0,0,0|2,0,0]=4 2360 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [0,2,0,0,0,0|2,0,0]=4 2361 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [0,2,0,0,0,0|2,0,0]=4 2362 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [0,2,0,0,0,0|2,0,0]=4 2363 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [0,2,0,0,0,0|2,0,0]=4 2364 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [0,2,0,0,0,0|2,0,0]=4 2365 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [0,2,0,0,0,0|2,0,0]=4 2366 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [0,2,0,0,0,0|2,0,0]=4 2367 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [0,2,0,0,0,0|2,0,0]=4 2368 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [0,2,0,0,0,0|2,0,0]=4 2369 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [0,2,0,0,0,0|2,0,0]=4 2370 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [0,2,0,0,0,0|2,0,0]=4 2371 B10R1.22 Cc1c(c(nc(n1)C)C)Br AB72378 [0,2,0,0,0,0|1,0,0]=3 2372 B10R1.22 Cc1c(c(nc(n1)Cl)Cl)I MB07060 [0,2,0,0,0,0|2,0,0]=4 2373 B10R1.22 Cc1c(c(nc(n1)Cl)Cl)N AB43393 [0,2,0,0,0,0|2,0,0]=4 2374 B10R1.22 Cc1c(c(nc(n1)N)C)Cl AB54992 [0,2,0,0,0,0|1,0,0]=3 2375 B10R1.22 Cc1c(c(nc(n1)N)Cl)Br PB29065 [0,2,0,0,0,0|2,0,0]=4 2376 B10R1.22 Cc1c(c(nc(n1)N)Cl)Cl AB05484 [0,2,0,0,0,0|2,0,0]=4 2377 B10R1.22 Cc1c(c(nc(n1)N)O)Cl AB54996 [0,2,0,0,0,0|2,0,0]=4 2378 B10R1.22 Cc1cc(c(c(n1)Cl)N)Cl CB11028 [0,2,0,0,0,0|1,0,0]=3 2379 B10R1.22 Cc1cc(nc(c1C)C)Br AB82584 [0,2,0,0,0,0|0,0,0]=2 2380 B10R1.22 Cc1cc(nc(c1C)C)N AB76138 [0,2,0,0,0,0|0,0,0]=2 2381 B10R1.22 Cc1cc(nc(c1C)C)O AB82587 [0,2,0,0,0,0|0,0,0]=2 2382 B10R1.22 Cc1cc(nc(c1C)O)O AB21779 [0,2,0,0,0,0|1,0,0]=3 2383 B10R1.22 Cc1cc(nc(c1N)N)C AB44982 [0,2,0,0,0,0|0,0,0]=2 2384 B10R1.22 Cc1cc(nc(c1N)N)Cl PB31872 [0,2,0,0,0,0|1,0,0]=3 2385 B10R1.22 c1c(c(c(nc1Br)Cl)N)Cl AB51382 [0,2,0,0,0,0|2,0,0]=4 2386 B10R1.22 c1c(c(c(nc1Cl)Cl)N)N AB60249 [0,2,0,0,0,0|2,0,0]=4 2387 B10R1.119 Cc1c(c(nnc1Cl)Cl)C AB02745 [0,2,0,0,0,0|2,0,0]=4 2388 B10R1.119 Cc1c(ccc(c1Cl)Br)N CB10999 [0,2,0,0,0,0|2,0,0]=4 2389 B10R1.119 Cc1c(ccc(c1F)F)Br AB42398 [0,2,0,0,0,0|2,0,0]=4 2390 B10R1.119 Cc1c(cnc(c1Br)N)Br AB09556 [0,2,0,0,0,0|1,0,0]=3 2391 B10R1.119 Cc1c(cnc(c1Br)O)Br AB23695 [0,2,0,0,0,0|1,0,0]=3 2392 B10R1.119 Cc1c(cnc(c1Cl)N)Cl AB03636 [0,2,0,0,0,0|1,0,0]=3 2393 B10R1.119 Cc1c(cnc(c1N)N)Br PB25025 [0,2,0,0,0,0|1,0,0]=3 2394 B10R1.119 Cc1ccc(c(c1O)C)O AB24905 [0,2,0,0,0,0|1,0,0]=3 2395 B10R1.119 Cc1ccc(c(c1O)Cl)N AB13339 [0,2,0,0,0,0|2,0,0]=4 2396 B10R1.119 c1c(c(c(c(n1)Br)N)N)Br PB19442 [0,2,0,0,0,0|2,0,0]=4 2397 B10R1.119 c1c(c(c(c(n1)Br)N)N)F PB33462 [0,2,0,0,0,0|2,0,0]=4 2398 B10R1.119 c1c(c(c(c(n1)Cl)N)N)Br PB23298 [0,2,0,0,0,0|2,0,0]=4 2399 B10R1.119 c1c(c(c(c(n1)Cl)N)N)Cl PB19699 [0,2,0,0,0,0|2,0,0]=4 2400 B10R1.119 c1c(c(c(c(n1)Cl)N)N)I PB38409 [0,2,0,0,0,0|2,0,0]=4 2401 B10R1.119 c1c(c(c(c(n1)F)F)N)F AB10202 [0,2,0,0,0,0|2,0,0]=4 2402 B10R1.119 c1c(c(c(c(n1)N)N)Cl)Br PB26732 [0,2,0,0,0,0|2,0,0]=4 2403 B10R1.245 C#Cc1c(ccnc1Cl)Cl AB69081 [0,2,0,0,0,0|2,0,0]=4 2404 B10R1.245 CCc1c(cccc1O)C MB23554 [0,2,0,0,0,0|2,0,0]=4 2405 B10R1.245 Cc1c(c(ccn1)Br)C=O AB66858 [0,2,0,0,0,0|1,0,0]=3 2406 B10R1.245 Cc1c(c(ccn1)Cl)C=O AB66851 [0,2,0,0,0,0|1,0,0]=3 2407 B10R1.245 Cc1c(c(ccn1)Cl)CCl AB83333 [0,2,0,0,0,0|1,0,0]=3 2408 B10R1.245 Cc1c(c(ccn1)Cl)CN AB83336 [0,2,0,0,0,0|1,0,0]=3 2409 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [0,2,0,0,0,0|1,0,0]=3 2410 B10R1.245 Cc1c(c(ccn1)F)C=O AB68033 [0,2,0,0,0,0|1,0,0]=3 2411 B10R1.245 Cc1c(c(ccn1)F)CCl AB83019 [0,2,0,0,0,0|1,0,0]=3 2412 B10R1.245 Cc1c(c(ccn1)F)CN AB83020 [0,2,0,0,0,0|1,0,0]=3 2413 B10R1.245 Cc1c(c(ccn1)N)C=O AB68110 [0,2,0,0,0,0|1,0,0]=3 2414 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [0,2,0,0,0,0|1,0,0]=3 2415 B10R1.245 Cc1c(c(ncn1)Cl)C#N AB54921 [0,2,0,0,0,0|2,0,0]=4 2416 B10R1.245 Cc1c(c(ncn1)N)C#N AB08486 [0,2,0,0,0,0|2,0,0]=4 2417 B10R1.245 Cc1c(c(ncn1)O)C#N AB54917 [0,2,0,0,0,0|2,0,0]=4 2418 B10R1.245 Cc1cccc(c1C#N)O MB02406 [0,2,0,0,0,0|2,0,0]=4 2419 B10R1.245 Cc1cccc(c1C=O)O MB14829 [0,2,0,0,0,0|2,0,0]=4 2420 B10R1.245 Cc1cccc(c1CCl)C AB08451 [0,2,0,0,0,0|1,0,0]=3 2421 B10R1.245 Cc1cccc(c1CN)O MB25667 [0,2,0,0,0,0|2,0,0]=4 2422 B10R1.245 Cc1cccc(c1CO)C AB03562 [0,2,0,0,0,0|1,0,0]=3 2423 B10R1.245 Cc1cccc(c1OC)O MB33579 [0,2,0,0,0,0|2,0,0]=4 2424 B10R1.245 Cc1cccc(c1SC)O MB08534 [0,2,0,0,0,0|2,0,0]=4 2425 B10R1.245 Cc1ccnc(c1C#N)Cl AB30548 [0,2,0,0,0,0|1,0,0]=3 2426 B10R1.245 Cc1ccnc(c1C#N)N PB26426 [0,2,0,0,0,0|1,0,0]=3 2427 B10R1.245 Cc1ccnc(c1C=O)C AB63129 [0,2,0,0,0,0|0,0,0]=2 2428 B10R1.245 Cc1ccnc(c1C=O)Cl AB44897 [0,2,0,0,0,0|1,0,0]=3 2429 B10R1.245 Cc1ccnc(c1C=O)F AB44902 [0,2,0,0,0,0|1,0,0]=3 2430 B10R1.245 Cc1ccnc(c1C=O)N AB70910 [0,2,0,0,0,0|1,0,0]=3 2431 B10R1.245 Cc1ccnc(c1C=O)O AB71364 [0,2,0,0,0,0|1,0,0]=3 2432 B10R1.245 Cc1ccnc(c1CCl)C AB75399 [0,2,0,0,0,0|0,0,0]=2 2433 B10R1.245 Cc1ccnc(c1CCl)Cl AB71112 [0,2,0,0,0,0|1,0,0]=3 2434 B10R1.245 Cc1ccnc(c1CCl)F AB71236 [0,2,0,0,0,0|1,0,0]=3 2435 B10R1.245 Cc1ccnc(c1CN)C AB75357 [0,2,0,0,0,0|0,0,0]=2 2436 B10R1.245 Cc1ccnc(c1CN)Cl AB74563 [0,2,0,0,0,0|1,0,0]=3 2437 B10R1.245 Cc1ccnc(c1CN)F AB83056 [0,2,0,0,0,0|1,0,0]=3 2438 B10R1.245 Cc1cncc(c1C#N)C AB63049 [0,2,0,0,0,0|2,0,0]=4 2439 B10R1.245 Cc1cncc(c1C=O)C AB24811 [0,2,0,0,0,0|2,0,0]=4 2440 B10R1.245 Cc1cncc(c1CCl)C AB75400 [0,2,0,0,0,0|2,0,0]=4 2441 B10R1.245 Cc1cncc(c1CN)C AB65429 [0,2,0,0,0,0|2,0,0]=4 2442 B10R1.245 c1cnc(c(c1Br)C#N)N AB75383 [0,2,0,0,0,0|2,0,0]=4 2443 B10R1.245 c1cnc(c(c1Br)C=O)Cl AB62918 [0,2,0,0,0,0|2,0,0]=4 2444 B10R1.245 c1cnc(c(c1Br)C=O)N AB83695 [0,2,0,0,0,0|2,0,0]=4 2445 B10R1.245 c1cnc(c(c1Br)C=O)O AB84479 [0,2,0,0,0,0|2,0,0]=4 2446 B10R1.245 c1cnc(c(c1Cl)C=O)Cl AB41952 [0,2,0,0,0,0|2,0,0]=4 2447 B10R1.245 c1cnc(c(c1Cl)C=O)F AB70637 [0,2,0,0,0,0|2,0,0]=4 2448 B10R1.245 c1cnc(c(c1Cl)C=O)N PB22850 [0,2,0,0,0,0|2,0,0]=4 2449 B10R1.245 c1cnc(c(c1Cl)C=O)O AB84482 [0,2,0,0,0,0|2,0,0]=4 2450 B10R1.245 c1cnc(c(c1Cl)CCl)F AB83202 [0,2,0,0,0,0|2,0,0]=4 2451 B10R1.245 c1cnc(c(c1Cl)CN)F AB83203 [0,2,0,0,0,0|2,0,0]=4 2452 B10R1.245 c1cnc(c(c1F)C=O)Cl AB68028 [0,2,0,0,0,0|2,0,0]=4 2453 B10R1.245 c1cnc(c(c1I)C=O)Cl MB02652 [0,2,0,0,0,0|2,0,0]=4 2454 B10R1.245 c1cnc(c(c1N)C=O)Br AB83694 [0,2,0,0,0,0|2,0,0]=4 2455 B10R1.245 c1cnc(c(c1N)C=O)Cl AB52768 [0,2,0,0,0,0|2,0,0]=4 2456 B10R1.245 c1cnc(c(c1N)C=O)O AB84486 [0,2,0,0,0,0|2,0,0]=4 2457 B10R1.245 c1cnc(c(c1O)C=O)Br AB84458 [0,2,0,0,0,0|2,0,0]=4 2458 B10R1.245 c1cnc(c(c1O)C=O)Cl AB66422 [0,2,0,0,0,0|2,0,0]=4 2459 B10R1.245 c1cnc(c(c1O)C=O)N AB84460 [0,2,0,0,0,0|2,0,0]=4 2460 B10R1.25 C#Cc1cnc(cc1Cl)Cl AB69082 [0,2,0,0,0,0|2,0,0]=4 2461 B10R1.25 CCc1ccc(cc1C)O MB23913 [0,2,0,0,0,0|2,0,0]=4 2462 B10R1.25 COc1cnc(cc1Cl)N PB15356 [0,2,0,0,0,0|2,0,0]=4 2463 B10R1.25 COc1cnc(cc1O)Cl AB69306 [0,2,0,0,0,0|2,0,0]=4 2464 B10R1.25 Cc1cc(c(cn1)C#N)N AB40705 [0,2,0,0,0,0|1,0,0]=3 2465 B10R1.25 Cc1cc(c(cn1)C=O)Br AB66855 [0,2,0,0,0,0|1,0,0]=3 2466 B10R1.25 Cc1cc(c(cn1)C=O)Cl AB66849 [0,2,0,0,0,0|1,0,0]=3 2467 B10R1.25 Cc1cc(c(cn1)C=O)F AB75172 [0,2,0,0,0,0|1,0,0]=3 2468 B10R1.25 Cc1cc(c(cn1)C=O)N AB83689 [0,2,0,0,0,0|1,0,0]=3 2469 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [0,2,0,0,0,0|1,0,0]=3 2470 B10R1.25 Cc1cc(c(cn1)CCl)Cl AB83327 [0,2,0,0,0,0|1,0,0]=3 2471 B10R1.25 Cc1cc(c(cn1)CCl)F AB83045 [0,2,0,0,0,0|1,0,0]=3 2472 B10R1.25 Cc1cc(c(cn1)CN)Br AB68171 [0,2,0,0,0,0|1,0,0]=3 2473 B10R1.25 Cc1cc(c(cn1)CN)Cl AB68154 [0,2,0,0,0,0|1,0,0]=3 2474 B10R1.25 Cc1cc(c(cn1)CN)F AB83048 [0,2,0,0,0,0|1,0,0]=3 2475 B10R1.25 Cc1cc(c(nc1)C#N)C AB22974 [0,2,0,0,0,0|2,0,0]=4 2476 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [0,2,0,0,0,0|2,0,0]=4 2477 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [0,2,0,0,0,0|2,0,0]=4 2478 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [0,2,0,0,0,0|2,0,0]=4 2479 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [0,2,0,0,0,0|2,0,0]=4 2480 B10R1.25 Cc1cc(ccc1C#N)Cl MB00421 [0,2,0,0,0,0|2,0,0]=4 2481 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [0,2,0,0,0,0|2,0,0]=4 2482 B10R1.25 Cc1cc(ccc1NC)O MB05083 [0,2,0,0,0,0|2,0,0]=4 2483 B10R1.25 Cc1cc(ccc1OC)O MB07842 [0,2,0,0,0,0|2,0,0]=4 2484 B10R1.25 Cc1cc(ncc1C=O)Br AB67814 [0,2,0,0,0,0|1,0,0]=3 2485 B10R1.25 Cc1cc(ncc1C=O)C AB74124 [0,2,0,0,0,0|0,0,0]=2 2486 B10R1.25 Cc1cc(ncc1C=O)Cl AB32140 [0,2,0,0,0,0|1,0,0]=3 2487 B10R1.25 Cc1cc(ncc1C=O)F AB75824 [0,2,0,0,0,0|1,0,0]=3 2488 B10R1.25 Cc1cc(ncc1CCl)C AB75393 [0,2,0,0,0,0|0,0,0]=2 2489 B10R1.25 Cc1cc(ncc1CCl)Cl AB74566 [0,2,0,0,0,0|1,0,0]=3 2490 B10R1.25 Cc1cc(ncc1CCl)F AB76758 [0,2,0,0,0,0|1,0,0]=3 2491 B10R1.25 Cc1cc(ncc1CCl)N AB76224 [0,2,0,0,0,0|1,0,0]=3 2492 B10R1.25 Cc1cc(ncc1CN)C AB62611 [0,2,0,0,0,0|0,0,0]=2 2493 B10R1.25 Cc1cc(ncc1CN)Cl AB74564 [0,2,0,0,0,0|1,0,0]=3 2494 B10R1.25 Cc1cc(ncc1CN)F AB83068 [0,2,0,0,0,0|1,0,0]=3 2495 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [0,2,0,0,0,0|2,0,0]=4 2496 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [0,2,0,0,0,0|2,0,0]=4 2497 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [0,2,0,0,0,0|2,0,0]=4 2498 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [0,2,0,0,0,0|2,0,0]=4 2499 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [0,2,0,0,0,0|2,0,0]=4 2500 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [0,2,0,0,0,0|2,0,0]=4 2501 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,2,0,0,0,0|2,0,0]=4 2502 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [0,2,0,0,0,0|2,0,0]=4 2503 B10R1.25 Cc1ncc(c(n1)N)C#N AB03160 [0,2,0,0,0,0|2,0,0]=4 2504 B10R1.25 Cc1ncc(c(n1)N)C=O AB53802 [0,2,0,0,0,0|2,0,0]=4 2505 B10R1.25 Cc1ncc(c(n1)N)CBr AB06102 [0,2,0,0,0,0|2,0,0]=4 2506 B10R1.25 Cc1ncc(c(n1)N)CCl AB06249 [0,2,0,0,0,0|2,0,0]=4 2507 B10R1.25 Cc1ncc(c(n1)N)CN AB03020 [0,2,0,0,0,0|2,0,0]=4 2508 B10R1.25 Cc1ncc(c(n1)O)CO AB48547 [0,2,0,0,0,0|2,0,0]=4 2509 B10R1.25 c1c(c(cnc1Br)C=O)Cl AB67260 [0,2,0,0,0,0|2,0,0]=4 2510 B10R1.25 c1c(c(cnc1Br)C=O)F AB68032 [0,2,0,0,0,0|2,0,0]=4 2511 B10R1.25 c1c(c(cnc1Br)C=O)N AB68108 [0,2,0,0,0,0|2,0,0]=4 2512 B10R1.25 c1c(c(cnc1Br)C=O)O AB72645 [0,2,0,0,0,0|2,0,0]=4 2513 B10R1.25 c1c(c(cnc1Cl)C#N)Cl AB44829 [0,2,0,0,0,0|2,0,0]=4 2514 B10R1.25 c1c(c(cnc1Cl)C#N)I PB19460 [0,2,0,0,0,0|2,0,0]=4 2515 B10R1.25 c1c(c(cnc1Cl)C=O)Br AB67955 [0,2,0,0,0,0|2,0,0]=4 2516 B10R1.25 c1c(c(cnc1Cl)C=O)Cl PB13495 [0,2,0,0,0,0|2,0,0]=4 2517 B10R1.25 c1c(c(cnc1Cl)C=O)F AB68027 [0,2,0,0,0,0|2,0,0]=4 2518 B10R1.25 c1c(c(cnc1Cl)C=O)N AB52769 [0,2,0,0,0,0|2,0,0]=4 2519 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [0,2,0,0,0,0|2,0,0]=4 2520 B10R1.25 c1c(c(cnc1Cl)CN)Cl AB68217 [0,2,0,0,0,0|2,0,0]=4 2521 B10R1.25 c1c(c(cnc1F)C=O)Cl AB75063 [0,2,0,0,0,0|2,0,0]=4 2522 B10R1.25 c1c(c(cnc1F)CCl)Cl AB83187 [0,2,0,0,0,0|2,0,0]=4 2523 B10R1.25 c1c(c(cnc1F)CN)Cl AB83188 [0,2,0,0,0,0|2,0,0]=4 2524 B10R1.25 c1c(c(cnc1N)C=O)Cl AB71947 [0,2,0,0,0,0|2,0,0]=4 2525 B10R1.25 c1c(c(cnc1N)C=O)N AB43397 [0,2,0,0,0,0|2,0,0]=4 2526 B10R1.25 c1c(c(cnc1N)C=O)O AB84438 [0,2,0,0,0,0|2,0,0]=4 2527 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [0,2,0,0,0,0|2,0,0]=4 2528 B10R1.118 Cc1cc(c(cc1Cl)Cl)N CB11300 [0,2,0,0,0,0|2,0,0]=4 2529 B10R1.118 Cc1cc(c(cc1N)Cl)Br CB11038 [0,2,0,0,0,0|2,0,0]=4 2530 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,0,1,1,0,0|1,0,0]=3 2531 B6R1.2 C1=NC(=O)N=C1 AB01798 [1,0,0,0,1,0|2,0,0]=4 2532 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,0,1,0|0,0,1]=3 2533 B6R1.2 CC1=CN=NC1 AB00390 [1,0,0,0,1,0|1,0,1]=4 2534 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,0,1,0|0,0,1]=3 2535 B6R1.2 Cc1ccon1 AB01288 [1,0,0,0,1,0|1,0,0]=3 2536 B6R1.2 Cc1cocn1 AB63545 [1,0,0,0,1,0|1,0,0]=3 2537 B6R1.2 Cn1cccn1 PB33818 [1,0,0,0,1,0|1,0,0]=3 2538 B6R1.2 Cn1ccnn1 AB51214 [1,0,0,0,1,0|2,0,0]=4 2539 B6R1.2 Cn1cnnc1 AB06345 [1,0,0,0,1,0|2,0,0]=4 2540 B6R1.2 c1c(con1)Br AB11359 [1,0,0,0,1,0|2,0,0]=4 2541 B6R1.2 c1c(con1)F AB68759 [1,0,0,0,1,0|2,0,0]=4 2542 B6R1.2 c1c(con1)N AB43605 [1,0,0,0,1,0|2,0,0]=4 2543 B6R1.2 c1c(csn1)Br AB25618 [1,0,0,0,1,0|2,0,0]=4 2544 B6R1.2 c1c(csn1)N AB11898 [1,0,0,0,1,0|2,0,0]=4 2545 B6R1.2 c1c(nco1)Br AB71589 [1,0,0,0,1,0|2,0,0]=4 2546 B6R1.2 c1c(nco1)Cl AB71588 [1,0,0,0,1,0|2,0,0]=4 2547 B6R1.2 c1c(nco1)N AB65031 [1,0,0,0,1,0|2,0,0]=4 2548 B6R1.2 c1c(ocn1)Br AB68491 [1,0,0,0,1,0|2,0,0]=4 2549 B6R1.2 c1c(ocn1)N MB10132 [1,0,0,0,1,0|2,0,0]=4 2550 B6R1.2 c1c(scn1)Br AB42975 [1,0,0,0,1,0|2,0,0]=4 2551 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,1,0|2,0,0]=4 2552 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,1,0|2,0,0]=4 2553 B6R1.2 c1ccn(c1)N PB33802 [1,0,0,0,1,0|2,0,0]=4 2554 B6R1.2 c1cn(cn1)N AB53511 [1,0,0,0,1,0|2,0,0]=4 2555 B6R1.2 c1cnoc1N MB00706 [1,0,0,0,1,0|2,0,0]=4 2556 B6R1.2 c1coc(n1)Br AB53255 [1,0,0,0,1,0|2,0,0]=4 2557 B6R1.2 c1coc(n1)I PB15201 [1,0,0,0,1,0|2,0,0]=4 2558 B6R1.2 c1coc(n1)N MB04324 [1,0,0,0,1,0|2,0,0]=4 2559 B6R1.2 c1conc1N PB33787 [1,0,0,0,1,0|2,0,0]=4 2560 B6R1.2 c1conc1O MB20248 [1,0,0,0,1,0|2,0,0]=4 2561 B6R1.2 c1csc(n1)Br AB00399 [1,0,0,0,1,0|2,0,0]=4 2562 B6R1.2 c1csc(n1)Cl CB10295 [1,0,0,0,1,0|2,0,0]=4 2563 B6R1.2 c1csc(n1)O AB10887 [1,0,0,0,1,0|2,0,0]=4 2564 B6R1.2 c1cscc1N MB09694 [1,0,0,0,1,0|2,0,0]=4 2565 B6R1.2 c1cscc1N PB23357 [1,0,0,0,1,0|2,0,0]=4