0 B9R1.8 C#CCc1ccccn1 AB73234 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.8 C#CCc1cccnc1 AB61408 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 CNCc1ccccn1 AB10674 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 CNCc1cccnc1 AB01384 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CNCc1ccncc1 AB02721 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 CNCc1ccnnc1 PB24326 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.8 CNCc1cnccn1 PB18749 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 CNCc1cncnc1 PB33284 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CNCc1ncccn1 PB29842 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 c1c(cncn1)CCN AB45406 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.8 c1cc(cnc1)CCN AB04606 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 c1cc(cnc1)CNN PB16271 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.8 c1cc(nnc1)CC#N PB25604 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.8 c1cc(nnc1)CCN AB61130 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.8 c1cc(nnc1)CNN PB37174 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.8 c1ccc(cc1)NC#N MB01061 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,0,0,0,0,0|1,0,1]=2 19 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.8 c1ccnc(c1)CCN AB00732 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.8 c1ccnc(c1)CNN PB19014 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.8 c1cnc(cn1)CC#N PB16294 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.8 c1cnc(cn1)CC=O AB57650 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.8 c1cnc(cn1)CCN AB22666 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.8 c1cnc(cn1)CNN PB20222 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.8 c1cnc(nc1)CC#N PB12692 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.8 c1cnc(nc1)CC=O AB57641 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.8 c1cnc(nc1)CCN AB55156 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.8 c1cnc(nc1)CNN PB21406 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.8 c1cnccc1CCN AB01702 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.8 c1cnccc1CNN PB10342 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.8 c1cncnc1CC#N PB22811 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.8 c1cncnc1CC=O AB57648 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.8 c1cncnc1CCN PB14818 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.8 c1cnncc1CCN AB62610 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.2 C#Cc1ccccn1 PB17077 [1,0,0,0,0,0|0,0,2]=3 38 B8R1.2 C#Cc1cccnn1 PB34819 [1,0,0,0,0,0|1,0,2]=4 39 B8R1.2 C#Cc1ccncn1 AB69106 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.2 C#Cc1cnccn1 PB18058 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.2 C#Cc1ncccn1 AB61370 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 CNc1ccncn1 AB60623 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 CNc1ncccn1 AB05135 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 COc1cccnn1 AB05130 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 c1cc(cnc1)CCl AB01984 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 c1cc(cnc1)CN AB00752 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 c1cc(nnc1)C#N PB19049 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 c1cc(nnc1)C=O PB20119 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 c1cc(nnc1)CCl PB28814 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 c1cc(nnc1)CN PB29341 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 c1cc(nnc1)CO PB30818 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.2 c1ccnc(c1)CBr MB02148 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.2 c1ccnc(c1)CCl AB22495 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.2 c1ccnc(c1)CN AB00731 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.2 c1cnc(cn1)C#N AB02102 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.2 c1cnc(cn1)C=O PB19982 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 c1cnc(cn1)CCl PB20483 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 c1cnc(cn1)CN PB14180 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 c1cnc(cn1)CO PB21779 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 c1cnc(cn1)NN PB12798 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 c1cnc(nc1)C#N PB27459 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 c1cnc(nc1)C=O PB34235 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 c1cnc(nc1)CCl PB20403 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 c1cnc(nc1)CN CB11589 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 c1cnc(nc1)CN PB23443 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 c1cnc(nc1)CO PB12410 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 c1cnc(nc1)NN PB10192 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 c1cnccc1CCl AB15539 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 c1cnccc1CN AB00767 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 c1cncnc1C=O AB16150 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 c1cncnc1CCl AB58895 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 c1cncnc1CN PB10439 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 c1cncnc1CO PB12296 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.2 c1ncnc(n1)CCl AB73492 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 c1ncnc(n1)CN AB60787 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [0,1,0,0,0,0|1,0,2]=4 81 B10R1.1 C#CCc1ccc(cc1)F AB61384 [0,1,0,0,0,0|1,0,2]=4 82 B10R1.1 C#CCc1ccc(cc1)I AB73225 [0,1,0,0,0,0|1,0,2]=4 83 B10R1.1 C#CCc1ccc(cn1)Br AB73237 [0,1,0,0,0,0|0,0,2]=3 84 B10R1.1 C#CCc1ccc(cn1)Cl AB73238 [0,1,0,0,0,0|0,0,2]=3 85 B10R1.1 C#CCc1ccc(cn1)F AB73236 [0,1,0,0,0,0|0,0,2]=3 86 B10R1.1 C#CCc1ncc(cn1)Cl AB73468 [0,1,0,0,0,0|1,0,2]=4 87 B10R1.1 C#CCc1ncc(cn1)F AB73467 [0,1,0,0,0,0|1,0,2]=4 88 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.1 CCNc1ccc(cn1)Br AB51199 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.1 CCOc1ccc(cn1)Br AB05210 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.1 CCOc1ccc(cn1)N AB09602 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.1 CCOc1ccc(nn1)Cl MB01118 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.1 CCOc1cnc(cn1)Br AB51350 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.1 CCOc1ncc(cn1)Br AB41256 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.1 CCOc1ncc(cn1)N AB58985 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.1 CNCc1ccc(cn1)Br AB49704 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.1 CNCc1ccc(cn1)F AB67668 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.1 CNCc1ccc(cn1)N AB67748 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.1 CNCc1ccc(nc1)Br AB67269 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.1 CNCc1ncc(cn1)Cl AB59174 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.1 Cc1ccc(cn1)CNC AB63786 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.1 Cc1ccc(nc1)CNC AB67504 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.1 Cc1ccc(nc1)\C=N\O AB72002 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.1 Cc1cnc(cn1)CCN AB69468 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.1 Cc1cnc(nc1)CCN AB59260 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.1 c1c(cnc(n1)CC=O)Cl AB59163 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.1 c1c(cnc(n1)CCO)Cl AB59166 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.1 c1c(ncc(n1)Cl)CCBr AB69919 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.1 c1c(ncc(n1)N)CC#N AB65850 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.1 c1cc(ccc1CC#N)F AB00175 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.1 c1cc(ncc1Br)CC#N PB27797 [0,1,0,0,0,0|1,0,1]=3 133 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.1 c1cc(ncc1Cl)CC#N AB55145 [0,1,0,0,0,0|1,0,1]=3 141 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.4 CCCc1cncnc1Cl AB55649 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.4 CCOc1c(cccn1)Br AB05207 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.4 CCOc1c(cccn1)I AB05213 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.4 CCOc1ccncc1Br MB01009 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.4 CNCc1c(cccn1)F PB12566 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.4 CNCc1cccnc1Cl AB53845 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.4 CNCc1cnccc1Br AB67968 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.4 CNCc1cnccc1Cl AB67984 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.4 CNCc1cnccc1F AB68060 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.4 Cc1ccccc1CC=O AB11813 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.4 Cc1cccnc1CCN AB31462 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.4 Cc1ccncc1CCN AB55157 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.4 Cc1ccncc1CNC AB67828 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.4 c1cc(c(nc1)CC#N)Br PB13243 [0,1,0,0,0,0|1,0,1]=3 162 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.4 c1cnc(c(n1)CC#N)Cl PB11137 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.4 c1cncc(c1Br)CCN AB45481 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.4 c1cncc(c1Cl)CCN AB68002 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.4 c1cncc(c1F)CCN AB55177 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.10 C#CCc1cccc(c1)Br AB61399 [0,1,0,0,0,0|1,0,2]=4 178 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [0,1,0,0,0,0|1,0,2]=4 179 B10R1.10 C#CCc1cccc(c1)I AB73228 [0,1,0,0,0,0|1,0,2]=4 180 B10R1.10 CC#Cc1ccnc(n1)Cl AB52922 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.10 CCCc1cccc(n1)N AB03673 [0,1,0,0,0,0|0,0,0]=1 182 B10R1.10 CCCc1ccnc(c1)N AB03633 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.10 CCOc1cc(ccn1)Br AB05209 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.10 CCOc1cc(ccn1)N AB05301 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.10 CCOc1cc(cnc1)Br AB05134 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.10 CCOc1cc(ncn1)Br MB14207 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.10 CCOc1cc(ncn1)Cl AB16426 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.10 CCOc1cccc(n1)Br AB05279 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.10 CCOc1cccc(n1)N AB05302 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.10 CCOc1ccnc(c1)N AB09620 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.10 CCOc1ccnc(n1)Br MB14088 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.10 CCOc1cncc(n1)Cl AB52638 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.10 CCOc1nccc(n1)Br AB54363 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.10 CNCc1cc(ccn1)Br AB40680 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.10 CNCc1cc(ccn1)F AB68057 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.10 CNCc1cc(ccn1)N AB40666 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.10 CNCc1cc(cnc1)Br AB41067 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.10 CNCc1cc(cnc1)F AB67670 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.10 CNCc1cc(cnc1)N AB67751 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.10 CNCc1cccc(n1)Br AB48344 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.10 CNCc1cccc(n1)Cl AB67315 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.10 CNCc1cccc(n1)F AB72833 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.10 CNCc1ccnc(c1)Br AB67272 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.10 Cc1cc(ccn1)CCN AB55165 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.10 Cc1cc(ccn1)CNC AB53841 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.10 Cc1cc(cnc1)CNC AB67507 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.10 Cc1cc(ncn1)CCN AB64311 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.10 Cc1cccc(c1)CC=O AB11815 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.10 Cc1cccc(n1)CNC AB01381 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.10 Cc1ccnc(c1)CNC AB52584 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.10 Cc1ccnc(n1)CCN AB59280 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.10 c1c(cncc1Br)CCN AB41071 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.10 c1c(cncc1Cl)CCN AB67621 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.10 c1c(cncc1F)CCN AB55166 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.10 c1c(cncc1N)CCN AB67760 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.10 c1cc(nc(c1)Br)CC#N AB48704 [0,1,0,0,0,0|1,0,1]=3 236 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.10 c1cc(nc(c1)Cl)CC#N AB51195 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.10 c1cc(nc(c1)F)CC#N AB55154 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.10 c1cnc(cc1Br)CCN AB55853 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.10 c1cnc(cc1CCBr)F AB72866 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.10 c1cnc(cc1CCN)Br AB45468 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.10 c1cnc(cc1CCN)F AB55184 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.10 c1cnc(cc1F)CCN AB55195 [0,1,0,0,0,0|1,0,0]=2 251 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.10 c1cnc(nc1N)CCN AB59298 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.10 c1cnc(nc1O)CCN AB59283 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.15 CC(c1cccnc1)NC CB11165 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,1,0,0,0,0|0,0,1]=2 257 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,1,0,0,0,0|1,0,1]=3 258 B10R1.15 CCC(c1cnccn1)N PB31632 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,1,0,0,0,0|1,0,2]=4 270 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,1,0,0,0,0|1,0,1]=3 271 B10R1.17 C#CCOc1ncccn1 AB61425 [0,1,0,0,0,0|1,0,2]=4 272 B10R1.17 CNCCc1cccnc1 AB10676 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.17 CNCCc1ccncc1 AB02055 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,1,0,0,0,0|1,0,1]=3 277 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,1,0,0,0,0|0,0,1]=2 279 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,1,0,0,0,0|0,0,0]=1 280 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,1,0,0,0,0|0,0,0]=1 281 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,1,0,0,0,0|1,0,0]=2 282 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,1,0,0,0,0|1,0,1]=3 283 B10R1.17 c1cnc(nc1)CCC=O AB57644 [0,1,0,0,0,0|1,0,1]=3 284 B10R1.17 c1cnc(nc1)NCCN AB49586 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.17 c1cnccc1CCC=O AB49299 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.17 c1cnccc1CCCN AB43583 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.17 c1cncnc1CCC=O AB57649 [0,1,0,0,0,0|1,0,1]=3 288 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,1,0,0,0,0|0,0,1]=2 290 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [0,1,0,0,0,0|1,0,1]=3 293 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,1,0,0,0,0|0,0,0]=1 295 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,1,0,0,0,0|1,0,0]=2 298 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,1,0,0,0,0|1,0,0]=2 299 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,1,0,0,0,0|1,0,0]=2 300 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.18 c1cncnc1CC(=O)O PB21983 [0,1,0,0,0,0|2,0,1]=4 305 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [0,0,0,1,0,0|1,0,0]=2 306 B10R2.7 c1c2=CCN=c2ncn1 PB12495 [0,0,0,1,0,0|2,0,1]=4 307 B10R2.7 c1c2=NCC=c2ncn1 PB22262 [0,0,0,1,0,0|2,0,1]=4 308 B10R2.7 c1c2c(ncn1)CNC2 PB18873 [0,0,0,1,0,0|2,0,0]=3 309 B10R2.7 c1c2c(ncn1)N=NC2 MB03781 [0,0,0,1,0,0|3,0,0]=4 310 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [0,0,0,1,0,0|2,0,0]=3 311 B10R2.7 c1cc2c(cco2)nc1 PB26741 [0,0,0,1,0,0|1,0,2]=4 312 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [0,0,0,1,0,0|1,0,2]=4 313 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [0,0,0,1,0,0|1,0,0]=2 314 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,0,0,1,0,0|1,0,0]=2 315 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [0,0,0,1,0,0|2,0,1]=4 316 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,0,0,1,0,0|2,0,0]=3 317 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [0,0,0,1,0,0|3,0,0]=4 318 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [0,0,0,1,0,0|2,0,1]=4 319 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [0,0,0,1,0,0|2,0,0]=3 320 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [0,0,0,1,0,0|2,0,0]=3 321 B10R2.7 c1cncc2c1CNC2 AB30511 [0,0,0,1,0,0|3,0,0]=4 322 B10R2.7 c1cncc2c1CNC2 PB24193 [0,0,0,1,0,0|3,0,0]=4 323 B10R2.7 c1cnnc2=NCC=c21 PB17814 [0,0,0,1,0,0|2,0,1]=4 324 B8R1.8 C1=NC=NC1CCO PB21680 [0,0,0,0,1,0|2,0,1]=4 325 B8R1.8 C1C=C(N=N1)CCN AB60568 [0,0,0,0,1,0|2,0,1]=4 326 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,0,0,0,1,0|2,0,1]=4 327 B8R1.8 CNCC1=NC=NC1 AB57901 [0,0,0,0,1,0|2,0,1]=4 328 B8R1.8 CNCC1=NN=CC1 AB27908 [0,0,0,0,1,0|2,0,1]=4 329 B8R1.8 CNCc1cccs1 AB13997 [0,0,0,0,1,0|2,0,0]=3 330 B8R1.8 CNCc1ccno1 AB27949 [0,0,0,0,1,0|3,0,0]=4 331 B8R1.8 CNCc1ccon1 AB27911 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.8 CNCc1ccon1 AB27912 [0,0,0,0,1,0|2,0,0]=3 333 B8R1.8 CNCc1cncs1 AB27956 [0,0,0,0,1,0|3,0,0]=4 334 B8R1.8 CNCc1cnsc1 AB74097 [0,0,0,0,1,0|3,0,0]=4 335 B8R1.8 CNCc1cocn1 AB63386 [0,0,0,0,1,0|2,0,0]=3 336 B8R1.8 CNCc1cscn1 AB27945 [0,0,0,0,1,0|2,0,0]=3 337 B8R1.8 CNCc1cscn1 AB27947 [0,0,0,0,1,0|2,0,0]=3 338 B8R1.8 CNCc1nccs1 AB12715 [0,0,0,0,1,0|2,0,0]=3 339 B8R1.8 COCc1[nH]ccn1 PB20902 [0,0,0,0,1,0|2,0,0]=3 340 B8R1.8 COCn1ccnn1 AB72401 [0,0,0,0,1,0|3,0,0]=4 341 B8R1.8 c1[nH]c(nn1)CCN AB39245 [0,0,0,0,1,0|3,0,0]=4 342 B8R1.8 c1[nH]c(nn1)CCN AB57486 [0,0,0,0,1,0|3,0,0]=4 343 B8R1.8 c1c(con1)CCN AB28074 [0,0,0,0,1,0|3,0,0]=4 344 B8R1.8 c1c(con1)CCO AB22774 [0,0,0,0,1,0|3,0,0]=4 345 B8R1.8 c1c(ncs1)CCN AB45423 [0,0,0,0,1,0|2,0,0]=3 346 B8R1.8 c1cc(sc1)CCN PB12982 [0,0,0,0,1,0|2,0,0]=3 347 B8R1.8 c1cc(sc1)CCO PB32074 [0,0,0,0,1,0|2,0,0]=3 348 B8R1.8 c1cc(sc1)CNN PB12479 [0,0,0,0,1,0|3,0,0]=4 349 B8R1.8 c1ccn(c1)CCBr MB00850 [0,0,0,0,1,0|2,0,0]=3 350 B8R1.8 c1cn(cn1)CCN AB13191 [0,0,0,0,1,0|3,0,0]=4 351 B8R1.8 c1cn(nn1)CCBr AB64262 [0,0,0,0,1,0|3,0,0]=4 352 B8R1.8 c1cn(nn1)CCCl AB64265 [0,0,0,0,1,0|3,0,0]=4 353 B8R1.8 c1cn(nn1)CCN AB28528 [0,0,0,0,1,0|3,0,0]=4 354 B8R1.8 c1cn(nn1)CCO AB16637 [0,0,0,0,1,0|3,0,0]=4 355 B8R1.8 c1cnn(c1)CCN AB15836 [0,0,0,0,1,0|2,0,0]=3 356 B8R1.8 c1coc(n1)CC=O AB57661 [0,0,0,0,1,0|2,0,1]=4 357 B8R1.8 c1csc(n1)CC#N PB29400 [0,0,0,0,1,0|2,0,1]=4 358 B8R1.8 c1csc(n1)CC=O AB57662 [0,0,0,0,1,0|2,0,1]=4 359 B8R1.8 c1csc(n1)CCN AB28436 [0,0,0,0,1,0|2,0,0]=3 360 B8R1.8 c1csc(n1)CCN AB43209 [0,0,0,0,1,0|2,0,0]=3 361 B8R1.8 c1cscc1CC#N PB19846 [0,0,0,0,1,0|2,0,1]=4 362 B8R1.8 c1cscc1CCN PB24618 [0,0,0,0,1,0|2,0,0]=3 363 B8R1.8 c1cscc1CCO PB25903 [0,0,0,0,1,0|2,0,0]=3 364 B8R1.8 c1cscc1CNN PB25191 [0,0,0,0,1,0|3,0,0]=4 365 B8R1.8 c1ncn(n1)CCBr AB15840 [0,0,0,0,1,0|3,0,0]=4 366 B8R1.8 c1ncn(n1)CCN AB09728 [0,0,0,0,1,0|3,0,0]=4 367 B8R1.8 c1nnc(o1)CCN AB57621 [0,0,0,0,1,0|3,0,0]=4 368 B8R1.8 c1nnc(s1)CCN PB27207 [0,0,0,0,1,0|3,0,0]=4 369 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|1,0,0]=3 370 B7R1.3 Cc1ccncn1 PB17038 [2,0,0,0,0,0|1,0,0]=3 371 B7R1.3 Cc1nccnn1 AB55984 [2,0,0,0,0,0|2,0,0]=4 372 B7R1.3 c1cc(nnc1)Br MB08580 [2,0,0,0,0,0|2,0,0]=4 373 B7R1.3 c1cc(nnc1)Cl AB30021 [2,0,0,0,0,0|2,0,0]=4 374 B7R1.3 c1cc(nnc1)Cl PB34726 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.3 c1cc(nnc1)N PB17217 [2,0,0,0,0,0|2,0,0]=4 376 B7R1.3 c1cc(nnc1)O PB32258 [2,0,0,0,0,0|2,0,0]=4 377 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|1,0,0]=3 378 B7R1.3 c1cnc(cn1)Br MB06072 [2,0,0,0,0,0|2,0,0]=4 379 B7R1.3 c1cnc(cn1)I AB08841 [2,0,0,0,0,0|2,0,0]=4 380 B7R1.3 c1cnc(cn1)N PB30528 [2,0,0,0,0,0|2,0,0]=4 381 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|2,0,0]=4 382 B7R1.3 c1cnc(nc1)Cl AB00572 [2,0,0,0,0,0|2,0,0]=4 383 B7R1.3 c1cnc(nc1)N MB00175 [2,0,0,0,0,0|2,0,0]=4 384 B7R1.3 c1cncnc1Br PB10690 [2,0,0,0,0,0|2,0,0]=4 385 B7R1.3 c1cncnc1Cl AB43600 [2,0,0,0,0,0|2,0,0]=4 386 B7R1.3 c1cncnc1Cl PB13479 [2,0,0,0,0,0|2,0,0]=4 387 B7R1.3 c1cncnc1N PB11581 [2,0,0,0,0,0|2,0,0]=4 388 B7R1.3 c1cncnc1O PB32093 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.1 C#Cc1ccc(cn1)Br AB13647 [1,1,0,0,0,0|0,0,2]=4 390 B9R1.1 C#Cc1ccc(cn1)Cl AB68972 [1,1,0,0,0,0|0,0,2]=4 391 B9R1.1 CCc1ccc(cn1)N AB63590 [1,1,0,0,0,0|0,0,0]=2 392 B9R1.1 CCc1ccc(cn1)O MB03842 [1,1,0,0,0,0|0,0,0]=2 393 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 CCc1cnc(cn1)Br AB64001 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.1 CCc1cnc(cn1)Cl AB73111 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.1 CCc1cnc(cn1)N AB60527 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.1 CCc1ncc(cn1)N PB12017 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.1 CNc1ccc(cn1)O AB69733 [1,1,0,0,0,0|1,0,0]=3 401 B9R1.1 CNc1cnc(cn1)Br MB08140 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.1 CNc1ncc(cn1)Br AB31940 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.1 CNc1ncc(cn1)Cl AB58660 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.1 COc1ccc(cn1)Br AB08771 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.1 COc1ccc(cn1)F AB13611 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.1 COc1ccc(cn1)N PB27370 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.1 COc1ccc(cn1)O CB10969 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.1 COc1ccc(nn1)Cl PB28962 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 COc1ccc(nn1)I AB59856 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.1 COc1ccc(nn1)N PB23243 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.1 COc1cnc(cn1)Br PB10528 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.1 COc1cnc(cn1)Cl PB22219 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 COc1cnc(cn1)I AB75719 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.1 COc1cnc(cn1)N PB26534 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.1 COc1ncc(cn1)Br AB21286 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 COc1ncc(cn1)Cl AB42003 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 COc1ncc(cn1)N AB43671 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.1 COc1ncc(cn1)O AB58606 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.1 CSc1ccc(cn1)O MB25590 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.1 CSc1cnc(cn1)Br MB07628 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.1 CSc1cnc(cn1)N AB43836 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.1 CSc1ncc(cn1)Br AB04480 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.1 CSc1ncc(cn1)Cl AB06339 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.1 CSc1ncc(cn1)N AB58989 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.1 CSc1ncc(cn1)O AB04983 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.1 Cc1ccc(nc1)C=O AB31466 [1,1,0,0,0,0|1,0,1]=4 429 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.1 Cc1ccc(nn1)CN PB19500 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.1 Cc1ccc(nn1)CO AB44109 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.1 Cc1ccc(nn1)OC AB51434 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.1 Cc1cnc(cn1)CCl PB10823 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.1 Cc1cnc(cn1)CN PB33936 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.1 Cc1cnc(nc1)CCl PB19771 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.1 Cc1cnc(nc1)CCl PB31488 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.1 Cc1cnc(nc1)CN PB22419 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.1 Cc1cnc(nc1)CO PB23808 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.1 c1c(cnc(n1)CCl)Br PB13284 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.1 c1c(cnc(n1)CCl)Cl PB20469 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 c1c(cnc(n1)CCl)F PB11064 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 c1c(cnc(n1)CN)Br PB19414 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.1 c1c(cnc(n1)CN)Cl PB32874 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.1 c1c(cnc(n1)CN)F PB31702 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.1 c1c(cnc(n1)CO)Br PB16639 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 c1c(cnc(n1)CO)Cl PB28152 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 c1c(cnc(n1)CO)F PB28593 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 c1c(ncc(n1)Cl)CCl AB60493 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.1 c1cc(ccc1CBr)Br AB00113 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.1 c1cc(ccc1CI)O MB06957 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.1 c1cc(ccc1CN)O AB11678 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.1 c1cc(ncc1Br)C#N PB21694 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.1 c1cc(ncc1Br)C=O PB30785 [1,1,0,0,0,0|1,0,1]=4 459 B9R1.1 c1cc(ncc1Br)CCl AB60010 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.1 c1cc(ncc1Br)CN AB23456 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.1 c1cc(ncc1Br)CO AB66533 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.1 c1cc(ncc1Br)CO PB18645 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [1,1,0,0,0,0|1,0,1]=4 464 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.1 c1cc(ncc1F)C#N AB48767 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.1 c1cc(ncc1F)C=O AB42648 [1,1,0,0,0,0|1,0,1]=4 469 B9R1.1 c1cc(ncc1F)CCl AB62501 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.1 c1cc(ncc1F)CN AB60189 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.1 c1cc(ncc1F)CO PB22210 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.1 c1cc(ncc1I)C#N MB08761 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.1 c1cc(ncc1N)C#N PB14307 [1,1,0,0,0,0|1,0,1]=4 474 B9R1.1 c1cc(ncc1N)C=O AB67740 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.1 c1cc(ncc1N)CN AB23447 [1,1,0,0,0,0|1,0,0]=3 476 B9R1.1 c1cc(ncc1N)CO AB31872 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.1 c1cc(ncc1O)C#N PB12442 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.1 c1cc(ncc1O)C=O AB59867 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.1 c1cc(ncc1O)CN MB14856 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.1 c1cc(nnc1CCl)Cl PB13303 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.1 c1cc(nnc1CN)Cl AB61132 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.1 c1cc(nnc1CO)Cl PB17910 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.2 C#Cc1cc(ccn1)Br AB68985 [1,1,0,0,0,0|0,0,2]=4 484 B9R1.2 C#Cc1cc(ccn1)Cl AB68983 [1,1,0,0,0,0|0,0,2]=4 485 B9R1.2 C#Cc1cccc(n1)Br AB68980 [1,1,0,0,0,0|0,0,2]=4 486 B9R1.2 C#Cc1cccc(n1)Cl AB68981 [1,1,0,0,0,0|0,0,2]=4 487 B9R1.2 C=Cc1cccc(n1)Br AB74634 [1,1,0,0,0,0|0,0,2]=4 488 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,1,0,0,0,0|0,0,0]=2 489 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|0,0,0]=2 490 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 CCc1cc(ncn1)Br MB09510 [1,1,0,0,0,0|1,0,0]=3 493 B9R1.2 CCc1cc(ncn1)Cl AB51253 [1,1,0,0,0,0|1,0,0]=3 494 B9R1.2 CCc1cc(ncn1)N AB54955 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.2 CCc1cc(ncn1)O AB54953 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.2 CCc1cccc(n1)Br MB10338 [1,1,0,0,0,0|0,0,0]=2 497 B9R1.2 CCc1nccc(n1)Cl AB51249 [1,1,0,0,0,0|1,0,0]=3 498 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,1,0,0,0,0|1,0,0]=3 499 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.2 CNc1cc(ncn1)Br MB14299 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 CNc1cc[nH]c(=O)n1 AB60627 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 CNc1cccc(n1)Br AB50070 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,1,0,0,0,0|1,0,0]=3 505 B9R1.2 CNc1ccnc(n1)Br MB14143 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.2 CNc1ccnc(n1)Cl AB49666 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.2 CNc1cncc(n1)Cl MB07975 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.2 CNc1nccc(n1)Br MB13471 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.2 CNc1nccc(n1)Cl AB52980 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.2 COc1cc(ccn1)Br AB44876 [1,1,0,0,0,0|1,0,0]=3 511 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|1,0,0]=3 512 B9R1.2 COc1cc(ccn1)F AB53299 [1,1,0,0,0,0|1,0,0]=3 513 B9R1.2 COc1cc(ccn1)I MB06098 [1,1,0,0,0,0|1,0,0]=3 514 B9R1.2 COc1cc(ccn1)N PB20942 [1,1,0,0,0,0|1,0,0]=3 515 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.2 COc1cc(cnn1)N AB76247 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 COc1cc(ncn1)Br MB14215 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 COc1cc(ncn1)Cl AB23017 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 COc1cc(ncn1)N PB30606 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.2 COc1cccc(n1)Cl AB00671 [1,1,0,0,0,0|1,0,0]=3 521 B9R1.2 COc1cccc(n1)F AB55818 [1,1,0,0,0,0|1,0,0]=3 522 B9R1.2 COc1cccc(n1)I AB31101 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.2 COc1cccc(n1)N AB21183 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.2 COc1cccc(n1)O AB31854 [1,1,0,0,0,0|1,0,0]=3 525 B9R1.2 COc1ccnc(n1)Br MB07472 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 COc1cncc(n1)Cl PB29367 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 COc1cncc(n1)N AB54770 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 COc1nccc(n1)Br AB54361 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 COc1nccc(n1)Cl AB49109 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.2 COc1nccc(n1)N PB29013 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.2 CSc1cc(ncn1)Br MB14195 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.2 CSc1cccc(n1)Br MB07302 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.2 CSc1ccnc(n1)Br MB14073 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 CSc1nccc(n1)Br AB54070 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 CSc1nccc(n1)Cl PB10012 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.2 CSc1nccc(n1)I AB08843 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 Cc1cc(ncn1)CO PB11190 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 Cc1cc(nnc1)CN PB37868 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 Cc1cccc(n1)C#N AB04512 [1,1,0,0,0,0|1,0,1]=4 543 B9R1.2 Cc1cccc(n1)C=O AB00683 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.2 Cc1cccc(n1)CCl AB49651 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.2 Cc1cccc(n1)CN AB22796 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.2 Cc1cccc(n1)NC AB60602 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.2 Cc1ccnc(c1)C#C AB66576 [1,1,0,0,0,0|0,0,2]=4 548 B9R1.2 Cc1ccnc(c1)C#N AB03610 [1,1,0,0,0,0|1,0,1]=4 549 B9R1.2 Cc1ccnc(c1)CCl AB42303 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.2 Cc1ccnc(c1)CN AB23452 [1,1,0,0,0,0|1,0,0]=3 551 B9R1.2 Cc1ccnc(n1)CCl PB25297 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.2 Cc1ccnc(n1)CN PB16292 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.2 Cc1ccnc(n1)CO PB24151 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.2 Cc1cncc(n1)CCl AB60498 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.2 Cc1cncc(n1)CN AB72296 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.2 Cc1nccc(n1)CCl AB58939 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.2 Cc1nccc(n1)CN AB43194 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.2 c1c(ncnc1Cl)CCl AB58944 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.2 c1c(ncnc1Cl)CO PB11446 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.2 c1c(ncnc1N)CN PB30390 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.2 c1c(ncnc1O)CCl AB59093 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.2 c1cc(nc(c1)Br)C#N PB24633 [1,1,0,0,0,0|1,0,1]=4 570 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [1,1,0,0,0,0|1,0,0]=3 572 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [1,1,0,0,0,0|1,0,0]=3 573 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [1,1,0,0,0,0|1,0,0]=3 574 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [1,1,0,0,0,0|1,0,0]=3 575 B9R1.2 c1cc(nc(c1)Br)NN AB51209 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.2 c1cc(nc(c1)Cl)C#N AB05877 [1,1,0,0,0,0|1,0,1]=4 577 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [1,1,0,0,0,0|1,0,0]=3 581 B9R1.2 c1cc(nc(c1)F)C#N AB50189 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [1,1,0,0,0,0|1,0,1]=4 583 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [1,1,0,0,0,0|1,0,0]=3 584 B9R1.2 c1cc(nc(c1)F)CN AB66365 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.2 c1cc(nc(c1)I)CO AB42511 [1,1,0,0,0,0|1,0,0]=3 586 B9R1.2 c1cc(nc(c1)N)C#N AB62904 [1,1,0,0,0,0|1,0,1]=4 587 B9R1.2 c1cc(nc(c1)N)CO AB53761 [1,1,0,0,0,0|1,0,0]=3 588 B9R1.2 c1cc(nc(c1)O)C#N AB62925 [1,1,0,0,0,0|1,0,1]=4 589 B9R1.2 c1cnc(cc1Br)C#N PB29307 [1,1,0,0,0,0|1,0,1]=4 590 B9R1.2 c1cnc(cc1Br)C=O PB10584 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.2 c1cnc(cc1Br)CCl AB67964 [1,1,0,0,0,0|1,0,0]=3 592 B9R1.2 c1cnc(cc1Br)CN PB17414 [1,1,0,0,0,0|1,0,0]=3 593 B9R1.2 c1cnc(cc1Br)CO PB31388 [1,1,0,0,0,0|1,0,0]=3 594 B9R1.2 c1cnc(cc1Cl)C#N PB32398 [1,1,0,0,0,0|1,0,1]=4 595 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [1,1,0,0,0,0|1,0,1]=4 596 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [1,1,0,0,0,0|1,0,0]=3 597 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.2 c1cnc(cc1Cl)CN PB27784 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.2 c1cnc(cc1F)C#N AB52749 [1,1,0,0,0,0|1,0,1]=4 601 B9R1.2 c1cnc(cc1F)C=O AB68024 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.2 c1cnc(cc1F)CCl AB68051 [1,1,0,0,0,0|1,0,0]=3 603 B9R1.2 c1cnc(cc1F)CN AB65162 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.2 c1cnc(cc1N)C#N PB10426 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.2 c1cnc(cc1N)C=O AB68102 [1,1,0,0,0,0|1,0,1]=4 606 B9R1.2 c1cnc(cc1O)C#N MB05241 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.2 c1cnc(cc1O)C=O AB68125 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.2 c1cnc(cc1O)CN MB14853 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.2 c1cnc(nc1CCl)Cl AB58935 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.2 c1cnc(nc1CN)Cl AB58851 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.2 c1cnc(nc1CN)O PB23029 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.2 c1cnc(nc1Cl)CCl AB59104 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.2 c1cnc(nc1Cl)CN AB05129 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.2 c1cnc(nc1Cl)CO AB64233 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.2 c1cnc(nc1N)CCl AB59419 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.2 c1cnc(nc1N)CN AB62661 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.2 c1cnc(nc1O)CCl AB59397 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.2 c1cnc(nc1O)CN AB63186 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.6 C=C(c1ccccn1)Br AB31950 [1,1,0,0,0,0|0,0,2]=4 620 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,1,0,0,0,0|0,0,1]=3 621 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,1,0,0,0,0|1,0,1]=4 622 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,1,0,0,0,0|1,0,1]=4 624 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,1,0,0,0,0|1,0,1]=4 625 B9R1.6 CC(C)c1ccccn1 PB21659 [1,1,0,0,0,0|0,0,0]=2 626 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.6 CC(c1ccccn1)N AB21604 [1,1,0,0,0,0|0,0,0]=2 628 B9R1.6 CC(c1cccnc1)N AB09764 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.6 CC(c1ccncc1)N AB11609 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.6 CC(c1ccncn1)N PB34498 [1,1,0,0,0,0|1,0,0]=3 631 B9R1.6 CC(c1cnccn1)N PB14922 [1,1,0,0,0,0|1,0,0]=3 632 B9R1.6 CC(c1ncccn1)N AB59468 [1,1,0,0,0,0|1,0,0]=3 633 B9R1.6 CN(C)c1ncccn1 AB64628 [1,1,0,0,0,0|2,0,0]=4 634 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [1,1,0,0,0,0|1,0,1]=4 639 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,1,0,0,0,0|1,0,1]=4 640 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [1,1,0,0,0,0|1,0,1]=4 641 B9R1.6 c1ccnc(c1)C(F)F AB64042 [1,1,0,0,0,0|1,0,0]=3 642 B9R1.15 CCc1c(cccn1)Br AB68544 [1,1,0,0,0,0|0,0,0]=2 643 B9R1.15 CCc1c(cccn1)O MB01433 [1,1,0,0,0,0|0,0,0]=2 644 B9R1.15 CCc1c(cncn1)F PB21906 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.15 CCc1ccncc1O MB12325 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.15 CCc1cnccc1Br PB37149 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 CCc1cnccc1O MB24095 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.15 CNc1c(nccn1)Cl MB13992 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.15 COc1c(cccn1)Br PB20024 [1,1,0,0,0,0|1,0,0]=3 650 B9R1.15 COc1c(cccn1)Cl AB13603 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.15 COc1c(cccn1)F AB13397 [1,1,0,0,0,0|1,0,0]=3 652 B9R1.15 COc1c(cccn1)I AB13400 [1,1,0,0,0,0|1,0,0]=3 653 B9R1.15 COc1c(cccn1)N AB07386 [1,1,0,0,0,0|1,0,0]=3 654 B9R1.15 COc1c(cccn1)O AB06074 [1,1,0,0,0,0|1,0,0]=3 655 B9R1.15 COc1c(nccn1)Cl MB02506 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.15 COc1c(nccn1)N AB22450 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.15 CSc1c(cccn1)O MB01598 [1,1,0,0,0,0|1,0,0]=3 658 B9R1.15 Cc1c(nccn1)CCl PB22746 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.15 Cc1c(nccn1)CN PB38635 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.15 Cc1c(nccn1)CO PB22269 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.15 Cc1cccnc1C=O PB14292 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.15 Cc1cccnc1CCl PB32645 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.15 Cc1cccnc1CN AB20671 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.15 Cc1cccnc1CO AB12590 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.15 Cc1cccnc1OC AB31414 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.15 Cc1ccnnc1CN PB36913 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 c1cc(c(nc1)C#N)Br PB24769 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.15 c1cc(c(nc1)C#N)F PB17393 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.15 c1cc(c(nc1)C#N)N PB18562 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,1,0,0,0,0|1,0,0]=3 676 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,1,0,0,0,0|1,0,0]=3 677 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,1,0,0,0,0|1,0,0]=3 679 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,1,0,0,0,0|1,0,0]=3 680 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,1,0,0,0,0|1,0,0]=3 681 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,1,0,0,0,0|1,0,0]=3 682 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,1,0,0,0,0|1,0,0]=3 683 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,1,0,0,0,0|1,0,0]=3 684 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,1,0,0,0,0|1,0,0]=3 685 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,1,0,0,0,0|1,0,0]=3 687 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,1,0,0,0,0|1,0,0]=3 688 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,1,0,0,0,0|1,0,0]=3 689 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,1,0,0,0,0|1,0,0]=3 690 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.15 c1cnc(c(n1)CN)N AB53146 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.7 CCCC1=NN=C(C1)N AB53750 [0,1,0,0,1,0|1,0,1]=4 699 B9R1.7 CCOc1nc(cs1)Br AB42966 [0,1,0,0,1,0|2,0,0]=4 700 B9R1.7 Cc1coc(n1)CNC AB70150 [0,1,0,0,1,0|2,0,0]=4 701 B9R1.7 Cc1csc(n1)CCN AB21609 [0,1,0,0,1,0|2,0,0]=4 702 B9R1.7 Cc1nc(cs1)CNC AB28276 [0,1,0,0,1,0|2,0,0]=4 703 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,1,0,0,1,0|2,0,0]=4 704 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,1,0,0,1,0|2,0,0]=4 705 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,1,0,0,1,0|2,0,0]=4 706 B9R1.12 C1=NC=NC1CCCN AB10031 [0,1,0,0,1,0|1,0,1]=4 707 B9R1.12 C1C=NC(=N1)CCCN AB55095 [0,1,0,0,1,0|1,0,1]=4 708 B9R1.12 CNCCc1cccs1 AB18501 [0,1,0,0,1,0|1,0,0]=3 709 B9R1.12 CNCCn1cccn1 AB48422 [0,1,0,0,1,0|1,0,0]=3 710 B9R1.12 c1ccn(c1)CCCBr MB00854 [0,1,0,0,1,0|1,0,0]=3 711 B9R1.12 c1cn(nn1)CCCN AB16646 [0,1,0,0,1,0|2,0,0]=4 712 B9R1.12 c1ncn(n1)CCCN AB15838 [0,1,0,0,1,0|2,0,0]=4 713 B9R1.33 CNCc1cccn1C AB22465 [0,1,0,0,1,0|1,0,1]=4 714 B9R1.33 Cn1ccnc1CCN AB26757 [0,1,0,0,1,0|2,0,0]=4 715 B11R1.1 CCCOc1cnc(cn1)Br AB54208 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.1 CCCOc1ncc(cn1)Br AB41267 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [0,2,0,0,0,0|1,0,0]=3 718 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.1 CNCCc1ccc(cc1)F AB27731 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.1 CNCCc1ccc(cc1)N AB27726 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,2,0,0,0,0|1,0,1]=4 722 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.1 Cc1cnc(cn1)CCCN AB69908 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.1 c1c(ncc(n1)Cl)CCCN AB69913 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,2,0,0,0,0|1,0,1]=4 728 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,2,0,0,0,0|1,0,1]=4 731 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.1 c1cc(ccc1CCCN)F AB38689 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.1 c1cc(ccc1CCCN)F AB66835 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.1 c1cc(ccc1CCCN)N AB51238 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.1 c1cc(nnc1CCC=O)Cl AB69267 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.20 CC(=O)Nc1ccc(cn1)I AB08522 [0,2,0,0,0,0|1,0,1]=4 743 B11R1.20 CC(=O)Nc1ccc(cn1)N AB04216 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.20 CC(C)Cc1cnc(cn1)Br AB72274 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.20 CC(C)Cc1cnc(cn1)Cl AB73109 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.20 CC(C)Cc1cnc(cn1)N AB60522 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.20 CC(C)Cc1ncc(cn1)N AB58993 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [0,2,0,0,0,0|1,0,0]=3 751 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.20 CC(C)Oc1ccc(nn1)Br MB08578 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.20 CC(C)Oc1ccc(nn1)Cl MB01121 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.20 CC(C)Oc1cnc(cn1)Br AB54269 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.20 CC(C)Oc1ncc(cn1)Br MB11470 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,2,0,0,0,0|1,0,0]=3 757 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,2,0,0,0,0|1,0,0]=3 758 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,2,0,0,0,0|1,0,1]=4 766 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,2,0,0,0,0|1,0,1]=4 767 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,2,0,0,0,0|1,0,1]=4 768 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,2,0,0,0,0|1,0,1]=4 769 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,2,0,0,0,0|0,0,1]=3 770 B11R1.22 CCN(C)c1cnc(cn1)Br AB54275 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,2,0,0,0,0|1,0,1]=4 772 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,2,0,0,0,0|1,0,1]=4 773 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,2,0,0,0,0|1,0,1]=4 774 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,2,0,0,0,0|1,0,1]=4 775 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,2,0,0,0,0|1,0,1]=4 776 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.22 c1cc(ncc1Br)C(=O)CBr AB69651 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.22 c1cc(ncc1Cl)C(=O)CBr AB60184 [0,2,0,0,0,0|1,0,1]=4 781 B11R1.81 CCOc1c(cc(cn1)Br)F AB40985 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.81 CCOc1c(cc(cn1)Br)I AB31057 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.81 CCOc1c(cc(cn1)Br)N AB40966 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.81 CCOc1c(cc(cn1)Cl)F AB41060 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.81 CCOc1c(cc(cn1)Cl)N AB41041 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.81 CCOc1c(cc(cn1)N)F AB40828 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.81 Cc1cc(cnc1CC#N)Br AB85301 [0,2,0,0,0,0|1,0,1]=4 792 B11R1.81 Cc1cc(cnc1CC#N)Cl AB55150 [0,2,0,0,0,0|1,0,1]=4 793 B11R1.81 Cc1cc(cnc1CCN)Cl AB83241 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.81 Cc1cc(cnc1CCN)F AB82903 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.81 c1c(cnc(c1Cl)CCN)F AB83122 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.81 c1c(cnc(c1F)CCN)Cl AB83116 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.81 c1c(cnc(c1N)CC#N)Br AB40969 [0,2,0,0,0,0|1,0,1]=4 798 B11R1.81 c1c(cnc(c1N)CC#N)Cl AB41047 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.83 CCCc1ccc(cc1)NN AB23596 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.83 CCCc1ccc(cn1)C#N AB28605 [0,2,0,0,0,0|0,0,0]=2 801 B11R1.83 CCOc1ccc(cn1)C#C AB68996 [0,2,0,0,0,0|1,0,0]=3 802 B11R1.83 CCOc1ccc(cn1)CCl AB59947 [0,2,0,0,0,0|1,0,0]=3 803 B11R1.83 CNCc1ccc(cn1)C#N AB67719 [0,2,0,0,0,0|1,0,0]=3 804 B11R1.83 CNCc1ccc(cn1)OC AB67556 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.83 COc1ccc(nc1)CC#C AB73241 [0,2,0,0,0,0|0,0,2]=4 807 B11R1.83 COc1ccc(nc1)CC#N AB65289 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.83 COc1ccc(nc1)CCBr AB73197 [0,2,0,0,0,0|1,0,0]=3 809 B11R1.83 COc1ccc(nc1)CCN AB65488 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.83 COc1cnc(cn1)CCBr AB69891 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.83 COc1cnc(cn1)CCN AB69885 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.83 COc1cnc(nc1)CCN AB59266 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.83 c1c(cnc(n1)CCN)C=O AB63291 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.83 c1cc(ccc1CCN)CO AB30409 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.83 c1cc(ncc1C#N)CCN AB67733 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.192 CCOc1[nH]c(=O)c(cn1)F AB13900 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.192 CCOc1cc(c(cn1)N)N AB66694 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.192 Cc1c(ccc(n1)CCN)Cl AB83323 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.192 Cc1c(ccc(n1)CCN)F AB55176 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.192 Cc1cc(ncc1Br)CC#N AB41178 [0,2,0,0,0,0|1,0,1]=4 823 B11R1.192 Cc1cc(ncc1Br)CCN AB41181 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.192 Cc1cc(ncc1C)CCN AB65480 [0,2,0,0,0,0|1,0,0]=3 825 B11R1.192 Cc1cc(ncc1Cl)CC#N AB41186 [0,2,0,0,0,0|1,0,1]=4 826 B11R1.192 Cc1cc(ncc1Cl)CCN AB41187 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.192 Cc1ccc(nc1C)CCN AB65477 [0,2,0,0,0,0|1,0,0]=3 828 B11R1.192 Cc1ccc(nc1Cl)CCN AB83357 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.192 Cc1ccc(nc1F)CCN AB83081 [0,2,0,0,0,0|1,0,0]=3 830 B11R1.192 Cc1cnc(cc1Cl)CCN AB83280 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.192 Cc1cnc(cc1F)CCN AB82959 [0,2,0,0,0,0|1,0,0]=3 832 B11R1.192 Cc1cnc(nc1Cl)CCN AB63272 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.192 c1c(ncc(c1Cl)Cl)CC#N AB70220 [0,2,0,0,0,0|1,0,1]=4 834 B11R1.192 c1c(ncc(c1Cl)Cl)CCN AB70219 [0,2,0,0,0,0|1,0,0]=3 835 B11R1.192 c1c(ncc(c1Cl)F)CCN AB83159 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [0,2,0,0,0,0|1,0,0]=3 837 B11R1.192 c1c(ncc(c1F)Cl)CCN AB82991 [0,2,0,0,0,0|1,0,0]=3 838 B11R1.192 c1c(ncc(c1N)Cl)CCN AB83920 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.192 c1c(ncc(c1O)Cl)CCN AB84047 [0,2,0,0,0,0|1,0,0]=3 840 B11R1.192 c1cc(c(nc1CCN)Cl)F AB83216 [0,2,0,0,0,0|1,0,0]=3 841 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.192 c1cc(c(nc1CCN)F)Cl AB83176 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.192 c1cc(c(nc1CCN)O)Cl AB84087 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.13 CCOc1c(c(ccn1)C)Br AB68546 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [0,2,0,0,0,0|1,0,0]=3 848 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [0,2,0,0,0,0|1,0,0]=3 849 B11R1.13 c1cnc(c(c1Cl)F)CCN AB83139 [0,2,0,0,0,0|1,0,0]=3 850 B11R1.13 c1cnc(c(c1Cl)N)CCN AB83872 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.13 c1cnc(c(c1F)Cl)CCN AB83008 [0,2,0,0,0,0|1,0,0]=3 853 B11R1.13 c1cnc(c(c1N)Cl)CCN AB83929 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.13 c1cnc(c(c1O)Cl)CCN AB84057 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.17 Cc1ccccc1CCC=O AB42260 [0,2,0,0,0,0|1,0,1]=4 857 B11R1.17 Cc1ccccc1CCCN AB38679 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.17 Cc1ccncc1CCCN AB67853 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [0,2,0,0,0,0|1,0,1]=4 863 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [0,2,0,0,0,0|1,0,1]=4 864 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [0,2,0,0,0,0|1,0,0]=3 865 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.17 c1cncc(c1F)CCCN AB68073 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.41 CCCc1c(cccn1)C#N AB28607 [0,2,0,0,0,0|0,0,0]=2 870 B11R1.41 CCCc1ccccc1NN AB27885 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.41 CCOc1c(cccn1)C#C AB69075 [0,2,0,0,0,0|1,0,0]=3 872 B11R1.41 CCOc1c(cccn1)C=O AB30394 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,2,0,0,0,0|1,0,0]=3 875 B11R1.86 CC(C)Oc1c(nccn1)Cl MB13976 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,2,0,0,0,0|1,0,0]=3 877 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,2,0,0,0,0|1,0,0]=3 878 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,2,0,0,0,0|1,0,0]=3 881 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [0,2,0,0,0,0|1,0,1]=4 882 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [0,2,0,0,0,0|1,0,1]=4 883 B11R1.182 CCOc1c(ncc(n1)Br)N MB06257 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.182 CCOc1cc(ccc1N)F AB20299 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [0,2,0,0,0,0|1,0,0]=3 886 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.182 c1cc(nc(c1F)CCN)Cl AB83105 [0,2,0,0,0,0|1,0,0]=3 889 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,2,0,0,0,0|1,0,1]=4 890 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,2,0,0,0,0|1,0,1]=4 891 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.23 CCN(C)c1cccc(n1)Br AB54124 [0,2,0,0,0,0|1,0,0]=3 895 B11R1.23 CCN(C)c1nccc(n1)Br AB54357 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,2,0,0,0,0|1,0,1]=4 897 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,2,0,0,0,0|1,0,1]=4 898 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,2,0,0,0,0|1,0,1]=4 899 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,2,0,0,0,0|1,0,1]=4 900 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,2,0,0,0,0|1,0,1]=4 901 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,2,0,0,0,0|1,0,1]=4 902 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,2,0,0,0,0|1,0,1]=4 903 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,2,0,0,0,0|1,0,1]=4 904 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,2,0,0,0,0|1,0,1]=4 905 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,2,0,0,0,0|1,0,1]=4 906 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [0,2,0,0,0,0|1,0,1]=4 907 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [0,2,0,0,0,0|1,0,1]=4 908 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [0,2,0,0,0,0|1,0,1]=4 909 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [0,2,0,0,0,0|1,0,1]=4 910 B11R1.23 C[C@@H](CN)c1cccc(c1)Br AB85102 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.23 C[C@H](CN)c1cccc(c1)Br AB85093 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.24 CCCOc1cccc(n1)Br AB05235 [0,2,0,0,0,0|0,0,0]=2 913 B11R1.24 CCCOc1nccc(n1)Br AB54370 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [0,2,0,0,0,0|1,0,0]=3 915 B11R1.24 COCOc1cccc(c1)Br AB72137 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.24 Cc1cc(ccn1)CCCN AB55133 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [0,2,0,0,0,0|1,0,1]=4 918 B11R1.24 Cc1cccc(c1)CCCN AB38680 [0,2,0,0,0,0|1,0,0]=3 919 B11R1.24 Cc1cccc(c1)CCNC AB27735 [0,2,0,0,0,0|1,0,0]=3 920 B11R1.24 Cc1cccc(n1)CCCN AB55096 [0,2,0,0,0,0|0,0,0]=2 921 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [0,2,0,0,0,0|0,0,0]=2 922 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [0,2,0,0,0,0|1,0,1]=4 923 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [0,2,0,0,0,0|1,0,1]=4 925 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [0,2,0,0,0,0|1,0,0]=3 928 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [0,2,0,0,0,0|0,0,0]=2 929 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [0,2,0,0,0,0|0,0,0]=2 930 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [0,2,0,0,0,0|0,0,0]=2 931 B11R1.24 c1cnc(cc1CCCN)Br AB55130 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.24 c1cnc(cc1CCCN)Cl AB55121 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [0,2,0,0,0,0|0,0,0]=2 934 B11R1.24 c1cnc(cc1F)CCCN AB68075 [0,2,0,0,0,0|0,0,0]=2 935 B11R1.34 CCOc1cc(cc(n1)Cl)N AB50353 [0,2,0,0,0,0|1,0,0]=3 936 B11R1.34 Cc1cc(cc(c1)Br)CCN AB71867 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.34 Cc1cc(cc(c1)CCN)C AB23315 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.34 Cc1cc(cc(c1)Cl)CCN AB78190 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.34 Cc1cc(cc(c1)F)CCN AB23431 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.34 Cc1cc(cc(c1)I)CCN AB78221 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.34 Cc1cc(cc(c1)N)CCN AB78265 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.34 Cc1cc(cc(c1)O)CCN AB78276 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.34 Cc1cc(cc(n1)CC#N)Br AB40791 [0,2,0,0,0,0|1,0,1]=4 944 B11R1.34 Cc1cc(cc(n1)CC#N)Cl AB40805 [0,2,0,0,0,0|1,0,1]=4 945 B11R1.34 Cc1cc(cc(n1)CCN)Br AB82123 [0,2,0,0,0,0|1,0,0]=3 946 B11R1.34 Cc1cc(cc(n1)CCN)Cl AB82103 [0,2,0,0,0,0|1,0,0]=3 947 B11R1.34 Cc1cc(cc(n1)CCN)F AB82080 [0,2,0,0,0,0|1,0,0]=3 948 B11R1.34 Cc1cc(cc(n1)CCN)I AB82141 [0,2,0,0,0,0|1,0,0]=3 949 B11R1.34 Cc1cc(cc(n1)CCN)N AB81987 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.34 Cc1cc(cc(n1)CCN)O AB81997 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.34 Cc1cc(nc(c1)Br)CCN AB81936 [0,2,0,0,0,0|1,0,0]=3 952 B11R1.34 Cc1cc(nc(c1)CCN)C AB45812 [0,2,0,0,0,0|1,0,0]=3 953 B11R1.34 Cc1cc(nc(c1)Cl)CCN AB81919 [0,2,0,0,0,0|1,0,0]=3 954 B11R1.34 Cc1cc(nc(c1)F)CCN AB81898 [0,2,0,0,0,0|1,0,0]=3 955 B11R1.34 Cc1cc(nc(c1)I)CCN AB81955 [0,2,0,0,0,0|1,0,0]=3 956 B11R1.34 Cc1cc(nc(c1)N)CCN AB75353 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.34 Cc1cc(nc(c1)O)CCN AB82191 [0,2,0,0,0,0|1,0,0]=3 958 B11R1.34 Cc1cc(nc(n1)CCN)C AB55639 [0,2,0,0,0,0|2,0,0]=4 959 B11R1.34 Cc1cc(nc(n1)CCN)Cl AB59300 [0,2,0,0,0,0|2,0,0]=4 960 B11R1.34 Cc1cc(nc(n1)CCN)O AB55642 [0,2,0,0,0,0|2,0,0]=4 961 B11R1.34 Cc1cc(nc(n1)Cl)CCN AB76812 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.34 Cc1nc(cc(n1)Cl)CCN AB77447 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.34 c1c(cc(cc1Br)Br)CCN AB45450 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.34 c1c(cc(cc1Br)I)CCN AB78203 [0,2,0,0,0,0|2,0,0]=4 965 B11R1.34 c1c(cc(cc1Cl)Br)CCN AB75449 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.34 c1c(cc(cc1Cl)Cl)CCN AB45408 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.34 c1c(cc(cc1Cl)I)CCN AB78188 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.34 c1c(cc(cc1F)Br)CCN AB45440 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.34 c1c(cc(cc1F)Cl)CCN AB23448 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.34 c1c(cc(cc1F)F)CCN AB09183 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.34 c1c(cc(cc1F)I)CCN AB78180 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.34 c1c(cc(cc1I)I)CCN AB78219 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.34 c1c(cc(cc1N)Br)CCN AB78206 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.34 c1c(cc(cc1N)Cl)CCN AB78196 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.34 c1c(cc(cc1N)F)CCN AB78182 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.34 c1c(cc(cc1N)I)CCN AB78225 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.34 c1c(cc(cc1N)N)CCN AB78322 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.34 c1c(cc(cc1N)O)CCN AB78320 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.34 c1c(cc(cc1O)Br)CCN AB78218 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.34 c1c(cc(cc1O)Cl)CCN AB78201 [0,2,0,0,0,0|2,0,0]=4 981 B11R1.34 c1c(cc(cc1O)F)CCN AB78187 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.34 c1c(cc(cc1O)I)CCN AB78237 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.34 c1c(cc(cc1O)O)CCN AB06250 [0,2,0,0,0,0|2,0,0]=4 984 B11R1.34 c1c(cc(nc1CCN)Br)Br AB81931 [0,2,0,0,0,0|1,0,0]=3 985 B11R1.34 c1c(cc(nc1CCN)Br)Cl AB82095 [0,2,0,0,0,0|1,0,0]=3 986 B11R1.34 c1c(cc(nc1CCN)Br)F AB82072 [0,2,0,0,0,0|1,0,0]=3 987 B11R1.34 c1c(cc(nc1CCN)Br)I AB81933 [0,2,0,0,0,0|1,0,0]=3 988 B11R1.34 c1c(cc(nc1CCN)Br)N AB81939 [0,2,0,0,0,0|1,0,0]=3 989 B11R1.34 c1c(cc(nc1CCN)Br)O AB81950 [0,2,0,0,0,0|1,0,0]=3 990 B11R1.34 c1c(cc(nc1CCN)Cl)Br AB81913 [0,2,0,0,0,0|1,0,0]=3 991 B11R1.34 c1c(cc(nc1CCN)Cl)Cl AB81912 [0,2,0,0,0,0|1,0,0]=3 992 B11R1.34 c1c(cc(nc1CCN)Cl)F AB82070 [0,2,0,0,0,0|1,0,0]=3 993 B11R1.34 c1c(cc(nc1CCN)Cl)I AB81915 [0,2,0,0,0,0|1,0,0]=3 994 B11R1.34 c1c(cc(nc1CCN)Cl)N AB81921 [0,2,0,0,0,0|1,0,0]=3 995 B11R1.34 c1c(cc(nc1CCN)Cl)O AB81929 [0,2,0,0,0,0|1,0,0]=3 996 B11R1.34 c1c(cc(nc1CCN)F)Br AB81891 [0,2,0,0,0,0|1,0,0]=3 997 B11R1.34 c1c(cc(nc1CCN)F)Cl AB81888 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.34 c1c(cc(nc1CCN)F)F AB81887 [0,2,0,0,0,0|1,0,0]=3 999 B11R1.34 c1c(cc(nc1CCN)F)I AB81893 [0,2,0,0,0,0|1,0,0]=3 1000 B11R1.34 c1c(cc(nc1CCN)F)N AB81902 [0,2,0,0,0,0|1,0,0]=3 1001 B11R1.34 c1c(cc(nc1CCN)F)O AB81911 [0,2,0,0,0,0|1,0,0]=3 1002 B11R1.34 c1c(cc(nc1CCN)I)Br AB82119 [0,2,0,0,0,0|1,0,0]=3 1003 B11R1.34 c1c(cc(nc1CCN)I)Cl AB82097 [0,2,0,0,0,0|1,0,0]=3 1004 B11R1.34 c1c(cc(nc1CCN)I)F AB82074 [0,2,0,0,0,0|1,0,0]=3 1005 B11R1.34 c1c(cc(nc1CCN)I)N AB81958 [0,2,0,0,0,0|1,0,0]=3 1006 B11R1.34 c1c(cc(nc1CCN)I)O AB81965 [0,2,0,0,0,0|1,0,0]=3 1007 B11R1.34 c1c(cc(nc1CCN)N)Br AB82126 [0,2,0,0,0,0|1,0,0]=3 1008 B11R1.34 c1c(cc(nc1CCN)N)Cl AB82106 [0,2,0,0,0,0|1,0,0]=3 1009 B11R1.34 c1c(cc(nc1CCN)N)F AB82083 [0,2,0,0,0,0|1,0,0]=3 1010 B11R1.34 c1c(cc(nc1CCN)N)I AB82146 [0,2,0,0,0,0|1,0,0]=3 1011 B11R1.34 c1c(cc(nc1CCN)N)N AB82048 [0,2,0,0,0,0|1,0,0]=3 1012 B11R1.34 c1c(cc(nc1CCN)N)O AB82045 [0,2,0,0,0,0|1,0,0]=3 1013 B11R1.34 c1c(cc(nc1CCN)O)Br AB82139 [0,2,0,0,0,0|1,0,0]=3 1014 B11R1.34 c1c(cc(nc1CCN)O)Cl AB82118 [0,2,0,0,0,0|1,0,0]=3 1015 B11R1.34 c1c(cc(nc1CCN)O)F AB82094 [0,2,0,0,0,0|1,0,0]=3 1016 B11R1.34 c1c(cc(nc1CCN)O)I AB82159 [0,2,0,0,0,0|1,0,0]=3 1017 B11R1.34 c1c(cc(nc1CCN)O)N AB82233 [0,2,0,0,0,0|1,0,0]=3 1018 B11R1.34 c1c(cc(nc1CCN)O)O AB82067 [0,2,0,0,0,0|1,0,0]=3 1019 B11R1.34 c1c(nc(nc1Cl)CCN)Cl AB59297 [0,2,0,0,0,0|2,0,0]=4 1020 B11R1.157 CC(=O)Nc1cccc(n1)Br MB01012 [0,2,0,0,0,0|1,0,1]=4 1021 B11R1.157 CC(C)Nc1cc(ccn1)Br MB13934 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.157 CC(C)Oc1cc(ccn1)Br MB10313 [0,2,0,0,0,0|1,0,0]=3 1023 B11R1.157 CC(C)Oc1cc(ccn1)O MB23248 [0,2,0,0,0,0|1,0,0]=3 1024 B11R1.157 CC(C)Oc1cc(ncn1)Br MB14211 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.157 CC(C)Oc1cccc(n1)Br AB54102 [0,2,0,0,0,0|1,0,0]=3 1027 B11R1.157 CC(C)Oc1ccnc(n1)Br MB14094 [0,2,0,0,0,0|2,0,0]=4 1028 B11R1.157 CC(C)Oc1nccc(n1)Br AB54366 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,2,0,0,0,0|1,0,0]=3 1030 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,2,0,0,0,0|2,0,0]=4 1032 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,2,0,0,0,0|2,0,0]=4 1033 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,2,0,0,0,0|1,0,0]=3 1035 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,2,0,0,0,0|1,0,0]=3 1036 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,2,0,0,0,0|1,0,0]=3 1037 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [0,2,0,0,0,0|1,0,1]=4 1038 B11R1.157 c1cc(nc(c1)Br)CC(=O)O CB11432 [0,2,0,0,0,0|1,0,1]=4 1039 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [0,2,0,0,0,0|1,0,1]=4 1040 B11R1.189 CCCc1cccc(c1)NN AB07394 [0,2,0,0,0,0|1,0,0]=3 1041 B11R1.189 CNCc1cc(ccn1)OC AB56429 [0,2,0,0,0,0|1,0,0]=3 1042 B11R1.189 CNCc1cccc(n1)C#N AB67397 [0,2,0,0,0,0|1,0,0]=3 1043 B11R1.189 CNCc1cccc(n1)OC AB67055 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.189 COc1cc(ncn1)CCN AB76655 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.189 COc1cccc(n1)CC#N AB55136 [0,2,0,0,0,0|1,0,1]=4 1046 B11R1.189 COc1cccc(n1)CCN AB55158 [0,2,0,0,0,0|1,0,0]=3 1047 B11R1.189 COc1ccnc(c1)CCN AB65489 [0,2,0,0,0,0|1,0,0]=3 1048 B11R1.189 COc1ccnc(n1)CCN AB59354 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.189 COc1cncc(n1)CCN AB73161 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.189 COc1nccc(n1)CCN AB77444 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.189 c1cc(cc(c1)C#N)CCO AB56090 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.189 c1cc(nc(c1)C#N)CCN AB67413 [0,2,0,0,0,0|1,0,0]=3 1053 B11R1.189 c1cnc(cc1C#N)CCN AB68141 [0,2,0,0,0,0|1,0,0]=3 1054 B11R1.7 CC(C)(CN)c1ccccc1 CB10869 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,2,0,0,0,0|1,0,0]=3 1056 B11R1.7 CC(CN)(c1ccccc1)O AB18534 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.7 CC(CN)(c1ccccc1)O AB31018 [0,2,0,0,0,0|2,0,0]=4 1058 B11R1.7 c1ccc(cc1)C(CN)(F)F AB63157 [0,2,0,0,0,0|2,0,0]=4 1059 B11R1.7 c1ccnc(c1)C(CN)(F)F PB32694 [0,2,0,0,0,0|1,0,0]=3 1060 B11R1.7 c1ccnc(c1)C(CO)(F)F PB29587 [0,2,0,0,0,0|1,0,0]=3 1061 B11R1.12 B(c1ccccn1)(OC)OC AB14373 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.12 COC(c1ccncn1)OC PB32451 [0,2,0,0,0,0|2,0,0]=4 1063 B11R1.16 CCCC(c1cnccn1)N AB27585 [0,2,0,0,0,0|1,0,0]=3 1064 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [0,2,0,0,0,0|1,0,1]=4 1065 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,2,0,0,0,0|1,0,1]=4 1069 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,2,0,0,0,0|1,0,0]=3 1070 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.36 c1ccnc(c1)C(C(=O)O)N AB21618 [0,2,0,0,0,0|1,0,1]=4 1072 B11R1.36 c1ccnc(c1)[C@@H](C(=O)O)N AB30492 [0,2,0,0,0,0|1,0,1]=4 1073 B11R1.36 c1ccnc(c1)[C@H](C(=O)O)N AB33283 [0,2,0,0,0,0|1,0,1]=4 1074 B11R1.28 CNCCCc1ccccc1 AB10671 [0,2,0,0,0,0|1,0,0]=3 1075 B11R1.28 CNCCOc1ccccn1 AB60653 [0,2,0,0,0,0|0,0,0]=2 1076 B11R1.28 c1ccc(cc1)CCCCN AB00942 [0,2,0,0,0,0|1,0,0]=3 1077 B11R1.28 c1ccc(cc1)CCCCN AB13248 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.28 c1ccc(cc1)COCCN AB05315 [0,2,0,0,0,0|1,0,0]=3 1079 B11R1.28 c1ccc(cc1)NCCCN MB00433 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.28 c1ccnc(c1)OCCCN AB60652 [0,2,0,0,0,0|0,0,0]=2 1081 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,2,0,0,0,0|1,0,1]=4 1084 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,2,0,0,0,0|0,0,1]=3 1085 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,2,0,0,0,0|1,0,1]=4 1086 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,2,0,0,0,0|1,0,1]=4 1087 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,2,0,0,0,0|1,0,1]=4 1088 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,2,0,0,0,0|1,0,0]=3 1089 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,2,0,0,0,0|1,0,0]=3 1093 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [0,2,0,0,0,0|0,0,0]=2 1096 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.509 CC(C)(Cc1ccncc1)N AB76603 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.509 CC(C)(Cc1ccncn1)N AB77438 [0,2,0,0,0,0|1,0,0]=3 1099 B11R1.509 CC(C)(Cc1ncccn1)N AB77436 [0,2,0,0,0,0|1,0,0]=3 1100 B11R1.509 [B-](Cc1ccccn1)(F)(F)F AB55710 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.509 c1ccnc(c1)CS(=O)(=O)Cl AB21747 [0,2,0,0,0,0|2,0,0]=4 1102 B9R1.14 CCn1cncc1C=O AB30574 [0,0,1,1,0,0|2,0,0]=4 1103 B9R2.2 C1CC1C2=NCC=N2 PB18274 [0,0,0,1,1,0|1,0,1]=4 1104 B9R2.2 C1CC1C2C=NC=N2 PB28771 [0,0,0,1,1,0|1,0,1]=4 1105 B9R2.2 c1cnn(c1)C2CC2 AB85325 [0,0,0,1,1,0|1,0,0]=3 1106 B9R2.3 C1CC2C=NN=C2C1 AB21809 [0,0,0,1,1,0|1,0,1]=4 1107 B11R2.34 c1c(cnc(n1)C2CC2)Br PB33220 [0,1,0,1,0,0|1,0,0]=3 1108 B11R2.34 c1c(cnc(n1)C2CC2)N PB31538 [0,1,0,1,0,0|1,0,0]=3 1109 B11R2.34 c1c(ncc(n1)Br)C2CC2 MB09639 [0,1,0,1,0,0|1,0,0]=3 1110 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [0,1,0,1,0,0|0,0,0]=2 1111 B11R2.34 c1cc(ncc1C2CC2)Br MB10291 [0,1,0,1,0,0|2,0,0]=4 1112 B11R2.34 c1cc(nnc1C2CC2)Cl MB13911 [0,1,0,1,0,0|1,0,0]=3 1113 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [0,1,0,1,0,0|1,0,0]=3 1114 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [0,1,0,1,0,0|2,0,0]=4 1115 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [0,1,0,1,0,0|2,0,0]=4 1116 B11R2.36 Cc1ccc2c(n1)CNC2 AB74756 [0,1,0,1,0,0|1,0,0]=3 1117 B11R2.36 Cc1ccc2c(n1)N=CC2 AB26035 [0,1,0,1,0,0|1,0,1]=4 1118 B11R2.36 Cc1ccc2c(n1)N=NC2 AB43592 [0,1,0,1,0,0|2,0,0]=4 1119 B11R2.36 Cc1ncc2c(n1)CNC2 AB45330 [0,1,0,1,0,0|2,0,0]=4 1120 B11R2.36 c1c(cnc2=CCN=c21)Cl PB17747 [0,1,0,1,0,0|1,0,1]=4 1121 B11R2.36 c1c(cnc2=CCN=c21)F PB15121 [0,1,0,1,0,0|1,0,1]=4 1122 B11R2.36 c1c(cnc2=CCN=c21)I PB10729 [0,1,0,1,0,0|1,0,1]=4 1123 B11R2.36 c1c(cnc2=CCN=c21)N PB22282 [0,1,0,1,0,0|1,0,1]=4 1124 B11R2.36 c1c(cnc2=NCC=c21)Br PB15851 [0,1,0,1,0,0|1,0,1]=4 1125 B11R2.36 c1c(cnc2=NCC=c21)Cl PB24925 [0,1,0,1,0,0|1,0,1]=4 1126 B11R2.36 c1c(cnc2=NCC=c21)F PB12380 [0,1,0,1,0,0|1,0,1]=4 1127 B11R2.36 c1c(cnc2=NCC=c21)I PB32449 [0,1,0,1,0,0|1,0,1]=4 1128 B11R2.36 c1c(cnc2=NCC=c21)N PB34142 [0,1,0,1,0,0|1,0,1]=4 1129 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [0,1,0,1,0,0|1,0,1]=4 1130 B11R2.36 c1c(cnc2c1CCN2)Br PB26222 [0,1,0,1,0,0|1,0,0]=3 1131 B11R2.36 c1c(cnc2c1CN=N2)Br PB12341 [0,1,0,1,0,0|2,0,0]=4 1132 B11R2.36 c1c(cnc2c1CN=N2)Cl AB64616 [0,1,0,1,0,0|2,0,0]=4 1133 B11R2.36 c1c(cnc2c1CN=N2)F PB11659 [0,1,0,1,0,0|2,0,0]=4 1134 B11R2.36 c1c(cnc2c1CN=N2)N PB20505 [0,1,0,1,0,0|2,0,0]=4 1135 B11R2.36 c1c(cnc2c1CNC2)Br PB11334 [0,1,0,1,0,0|1,0,0]=3 1136 B11R2.36 c1c(cnc2c1CNC2)Cl AB74656 [0,1,0,1,0,0|1,0,0]=3 1137 B11R2.36 c1c(cnc2c1NCC2)Br AB73731 [0,1,0,1,0,0|1,0,0]=3 1138 B11R2.36 c1c(cnc2c1OCO2)Br AB66660 [0,1,0,1,0,0|2,0,0]=4 1139 B11R2.36 c1c(cnc2c1OCO2)Cl AB73686 [0,1,0,1,0,0|2,0,0]=4 1140 B11R2.36 c1c(cnc2c1OCO2)F AB73689 [0,1,0,1,0,0|2,0,0]=4 1141 B11R2.36 c1c(nc2c(n1)CCN2)Cl AB85069 [0,1,0,1,0,0|2,0,0]=4 1142 B11R2.36 c1c(nc2c(n1)CNC2)Cl AB77193 [0,1,0,1,0,0|2,0,0]=4 1143 B11R2.36 c1c(nc2c(n1)NCC2)Br AB85721 [0,1,0,1,0,0|2,0,0]=4 1144 B11R2.36 c1c2c(nc(n1)Cl)CNC2 PB18999 [0,1,0,1,0,0|2,0,0]=4 1145 B11R2.36 c1c2c(nc(n1)Cl)COC2 AB84893 [0,1,0,1,0,0|2,0,0]=4 1146 B11R2.36 c1cc(nc2c1CNC2)Br AB76749 [0,1,0,1,0,0|1,0,0]=3 1147 B11R2.36 c1cc(nc2c1CNC2)Cl PB22510 [0,1,0,1,0,0|1,0,0]=3 1148 B11R2.36 c1cc(nc2c1NCC2)Br AB73732 [0,1,0,1,0,0|1,0,0]=3 1149 B11R2.36 c1cc(nc2c1NCC2)Cl AB71540 [0,1,0,1,0,0|1,0,0]=3 1150 B11R2.36 c1cc(nc2c1NCC2)F AB73742 [0,1,0,1,0,0|1,0,0]=3 1151 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [0,1,0,1,0,0|1,0,0]=3 1152 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [0,1,0,1,0,0|2,0,0]=4 1153 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [0,1,0,1,0,0|2,0,0]=4 1154 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [0,1,0,1,0,0|2,0,0]=4 1155 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [0,1,0,1,0,0|2,0,0]=4 1156 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [0,1,0,1,0,0|2,0,0]=4 1157 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [0,1,0,1,0,0|2,0,0]=4 1158 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [0,1,0,1,0,0|2,0,0]=4 1159 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [0,1,0,1,0,0|2,0,0]=4 1160 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [0,1,0,1,0,0|1,0,0]=3 1161 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [0,1,0,1,0,0|2,0,0]=4 1162 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [0,1,0,1,0,0|2,0,0]=4 1163 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [0,1,0,1,0,0|2,0,0]=4 1164 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,1,0,1,0,0|1,0,1]=4 1165 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,1,0,1,0,0|1,0,1]=4 1166 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,1,0,1,0,0|1,0,1]=4 1167 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,1,0,1,0,0|1,0,0]=3 1168 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,1,0,1,0,0|1,0,0]=3 1169 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,1,0,1,0,0|2,0,0]=4 1170 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [0,1,0,1,0,0|1,0,0]=3 1171 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [0,1,0,1,0,0|1,0,0]=3 1172 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [0,1,0,1,0,0|1,0,0]=3 1173 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [0,1,0,1,0,0|1,0,0]=3 1174 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,1,0,1,0,0|0,0,0]=2 1175 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,1,0,1,0,0|0,0,0]=2 1176 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,1,0,1,0,0|0,0,0]=2 1177 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [0,1,0,1,0,0|1,0,0]=3 1178 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,1,0,1,0,0|1,0,0]=3 1179 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,1,0,1,0,0|1,0,0]=3 1180 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,1,0,1,0,0|1,0,1]=4 1181 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,1,0,1,0,0|2,0,0]=4 1182 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [0,1,0,1,0,0|1,0,0]=3 1183 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,1,0,1,0,0|2,0,0]=4 1184 B11R2.20 c1cncc2c1CCNC2 PB10616 [0,1,0,1,0,0|2,0,0]=4 1185 B11R2.20 c1cncc2c1CNCC2 AB48928 [0,1,0,1,0,0|2,0,0]=4 1186 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,1,0,1,0,0|2,0,0]=4 1187 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [0,1,0,1,0,0|2,0,0]=4 1188 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [0,1,0,1,0,0|1,0,0]=3 1189 B11R2.106 Cc1cccc2c1CCN2 MB06155 [0,1,0,1,0,0|2,0,0]=4 1190 B11R2.106 Cc1cccc2c1CNC2 MB06843 [0,1,0,1,0,0|2,0,0]=4 1191 B11R2.106 Cc1cccc2c1NCC2 MB04566 [0,1,0,1,0,0|2,0,0]=4 1192 B11R2.106 c1[nH]c(=O)c2c(n1)CCC2 PB13149 [0,1,0,1,0,0|1,0,0]=3 1193 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [0,1,0,1,0,0|2,0,0]=4 1194 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [0,1,0,1,0,0|2,0,0]=4 1195 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [0,1,0,1,0,0|1,0,0]=3 1196 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [0,1,0,1,0,0|2,0,0]=4 1197 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [0,1,0,1,0,0|2,0,0]=4 1198 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [0,1,0,1,0,0|2,0,0]=4 1199 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [0,1,0,1,0,0|2,0,0]=4 1200 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [0,1,0,1,0,0|2,0,0]=4 1201 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [0,1,0,1,0,0|2,0,0]=4 1202 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [0,1,0,1,0,0|2,0,0]=4 1203 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [0,1,0,1,0,0|2,0,0]=4 1204 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [0,1,0,1,0,0|2,0,0]=4 1205 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [0,1,0,1,0,0|2,0,0]=4 1206 B11R2.106 c1cc2n(c(=O)c1)CCN2 MB08872 [0,1,0,1,0,0|1,0,1]=4 1207 B11R2.106 c1cnc2=CCN=c2c1Br PB10981 [0,1,0,1,0,0|1,0,1]=4 1208 B11R2.106 c1cnc2=CCN=c2c1Cl PB14564 [0,1,0,1,0,0|1,0,1]=4 1209 B11R2.106 c1cnc2=CCN=c2c1F PB25681 [0,1,0,1,0,0|1,0,1]=4 1210 B11R2.106 c1cnc2=NCC=c2c1Br PB31039 [0,1,0,1,0,0|1,0,1]=4 1211 B11R2.106 c1cnc2=NCC=c2c1Cl PB29499 [0,1,0,1,0,0|1,0,1]=4 1212 B11R2.106 c1cnc2=NCC=c2c1F PB15996 [0,1,0,1,0,0|1,0,1]=4 1213 B11R2.106 c1cnc2=NCC=c2c1N PB25081 [0,1,0,1,0,0|1,0,1]=4 1214 B11R2.106 c1cnc2=NCC=c2c1O PB23574 [0,1,0,1,0,0|1,0,1]=4 1215 B11R2.106 c1cnc2c(c1Br)CCN2 AB76365 [0,1,0,1,0,0|1,0,0]=3 1216 B11R2.106 c1cnc2c(c1Br)CNC2 AB77102 [0,1,0,1,0,0|1,0,0]=3 1217 B11R2.106 c1cnc2c(c1Br)N=NC2 AB71461 [0,1,0,1,0,0|2,0,0]=4 1218 B11R2.106 c1cnc2c(c1Br)OCO2 AB73694 [0,1,0,1,0,0|2,0,0]=4 1219 B11R2.106 c1cnc2c(c1Cl)CNC2 AB74758 [0,1,0,1,0,0|1,0,0]=3 1220 B11R2.106 c1cnc2c(c1Cl)N=NC2 PB19187 [0,1,0,1,0,0|2,0,0]=4 1221 B11R2.106 c1cnc2c(c1I)CCN2 AB85220 [0,1,0,1,0,0|1,0,0]=3 1222 B11R2.106 c1cnc2c(c1N)CNC2 AB77128 [0,1,0,1,0,0|1,0,0]=3 1223 B11R2.106 c1cnc2c(c1N)OCO2 AB73704 [0,1,0,1,0,0|2,0,0]=4 1224 B11R2.106 c1nc2c(c(n1)Cl)CCC2 PB34729 [0,1,0,1,0,0|1,0,0]=3 1225 B11R2.106 c1nc2c(c(n1)Cl)CNC2 AB68455 [0,1,0,1,0,0|2,0,0]=4 1226 B11R2.106 c1nc2c(c(n1)Cl)COC2 AB76323 [0,1,0,1,0,0|2,0,0]=4 1227 B11R2.35 c1c(cncc1Br)C2CC2 MB10375 [0,1,0,1,0,0|2,0,0]=4 1228 B11R2.35 c1c(nc(nn1)Cl)C2CC2 AB85253 [0,1,0,1,0,0|2,0,0]=4 1229 B11R2.35 c1c(ncnc1Br)C2CC2 MB09514 [0,1,0,1,0,0|1,0,0]=3 1230 B11R2.35 c1cc(cc(c1)F)C2CO2 MB07713 [0,1,0,1,0,0|2,0,0]=4 1231 B11R2.35 c1cc(nc(c1)Br)C2CC2 MB09481 [0,1,0,1,0,0|0,0,0]=2 1232 B11R2.35 c1cnc(cc1C2CC2)Cl MB11621 [0,1,0,1,0,0|2,0,0]=4 1233 B11R2.35 c1cnc(nc1Br)C2CC2 MB09509 [0,1,0,1,0,0|1,0,0]=3 1234 B11R2.35 c1cnc(nc1C2CC2)N CB10717 [0,1,0,1,0,0|1,0,0]=3 1235 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,1,0,1,0,0|0,0,1]=3 1236 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,1,0,1,0,0|1,0,0]=3 1237 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,1,0,1,0,0|1,0,1]=4 1238 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,1,0,1,0,0|0,0,1]=3 1239 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,1,0,1,0,0|0,0,0]=2 1240 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,1,0,1,0,0|1,0,1]=4 1241 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,1,0,1,0,0|1,0,0]=3 1242 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,1,0,1,0,0|2,0,0]=4 1243 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,1,0,1,0,0|1,0,0]=3 1244 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,1,0,1,0,0|2,0,0]=4 1245 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,1,0,1,0,0|1,0,0]=3 1246 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,1,0,1,0,0|1,0,0]=3 1247 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,1,0,1,0,0|1,0,0]=3 1248 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,1,0,1,0,0|2,0,0]=4 1249 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [0,1,0,1,0,0|1,0,0]=3 1250 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [0,1,0,1,0,0|0,0,0]=2 1251 B11R2.40 c1cnc(cn1)C2(CC2)N PB16659 [0,1,0,1,0,0|1,0,0]=3 1252 B11R2.40 c1cnc(nc1)C2(CC2)N PB27038 [0,1,0,1,0,0|1,0,0]=3 1253 B11R2.40 c1cnccc1C2(CC2)N AB55046 [0,1,0,1,0,0|2,0,0]=4 1254 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,1,0,1,0,0|2,0,0]=4 1255 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,1,0,1,0,0|0,0,0]=2 1256 B11R2.238 c1cnccc1OC2CC2 MB19994 [0,1,0,1,0,0|2,0,0]=4 1257 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,0,1,0|1,0,1]=4 1258 B7R1.1 CCC1=NN=CC1 AB65715 [1,0,0,0,1,0|1,0,1]=4 1259 B7R1.1 CCn1cncn1 AB31524 [1,0,0,0,1,0|2,0,0]=4 1260 B7R1.1 COc1nccs1 AB09330 [1,0,0,0,1,0|2,0,0]=4 1261 B7R1.1 c1c(nco1)CCl AB71585 [1,0,0,0,1,0|2,0,0]=4 1262 B7R1.1 c1c(nco1)CN PB29323 [1,0,0,0,1,0|2,0,0]=4 1263 B7R1.1 c1c(nco1)CO PB29559 [1,0,0,0,1,0|2,0,0]=4 1264 B7R1.1 c1c(ncs1)CCl AB10919 [1,0,0,0,1,0|2,0,0]=4 1265 B7R1.1 c1c(ncs1)CN AB27866 [1,0,0,0,1,0|2,0,0]=4 1266 B7R1.1 c1c(ncs1)CN PB21996 [1,0,0,0,1,0|2,0,0]=4 1267 B7R1.1 c1c(ncs1)CO AB20478 [1,0,0,0,1,0|2,0,0]=4 1268 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,0,1,0|2,0,0]=4 1269 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,0,1,0|2,0,0]=4 1270 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,0,1,0|2,0,0]=4 1271 B7R1.1 c1coc(n1)CCl AB19278 [1,0,0,0,1,0|2,0,0]=4 1272 B7R1.1 c1coc(n1)CN AB19275 [1,0,0,0,1,0|2,0,0]=4 1273 B7R1.1 c1coc(n1)CN AB28202 [1,0,0,0,1,0|2,0,0]=4 1274 B7R1.1 c1coc(n1)CO PB27948 [1,0,0,0,1,0|2,0,0]=4 1275 B7R1.1 c1conc1CCl MB04274 [1,0,0,0,1,0|2,0,0]=4 1276 B7R1.1 c1conc1CN PB24935 [1,0,0,0,1,0|2,0,0]=4 1277 B7R1.1 c1conc1CO PB15902 [1,0,0,0,1,0|2,0,0]=4 1278 B7R1.1 c1csc(n1)CCl AB42463 [1,0,0,0,1,0|2,0,0]=4 1279 B7R1.1 c1csc(n1)CN MB03193 [1,0,0,0,1,0|2,0,0]=4 1280 B7R1.1 c1csc(n1)CN PB20005 [1,0,0,0,1,0|2,0,0]=4 1281 B7R1.1 c1cscc1CN AB13999 [1,0,0,0,1,0|2,0,0]=4 1282 B7R1.1 c1cscc1CN PB12237 [1,0,0,0,1,0|2,0,0]=4 1283 B7R1.1 c1cscc1CO PB10036 [1,0,0,0,1,0|2,0,0]=4 1284 B7R1.1 c1csnc1CN PB23687 [1,0,0,0,1,0|2,0,0]=4