0 B9R1.8 C#CCc1ccccn1 AB73234 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.8 C#CCc1cccnc1 AB61408 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.8 CNCc1ccccn1 AB10674 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 CNCc1cccnc1 AB01384 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.8 CNCc1ccncc1 AB02721 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.8 CNCc1ccnnc1 PB24326 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CNCc1cnccn1 PB18749 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.8 CNCc1cncnc1 PB33284 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 CNCc1ncccn1 PB29842 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 c1c(cncn1)CC#N PB22350 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.8 c1c(cncn1)CC=O AB57639 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.8 c1c(cncn1)CCN AB45406 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 c1c(cncn1)CNN PB19654 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.8 c1cc(cnc1)CCN AB04606 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.8 c1cc(cnc1)CNN PB16271 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.8 c1cc(cnc1)N=C=O AB08187 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.8 c1cc(nnc1)CC#N PB25604 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.8 c1cc(nnc1)CCN AB61130 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 c1cc(nnc1)CNN PB37174 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.8 c1ccnc(c1)CCN AB00732 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.8 c1ccnc(c1)CNN PB19014 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 c1cnc(cn1)CC#N PB16294 [0,0,0,0,0,0|1,0,1]=2 24 B9R1.8 c1cnc(cn1)CC=O AB57650 [0,0,0,0,0,0|1,0,1]=2 25 B9R1.8 c1cnc(cn1)CCN AB22666 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.8 c1cnc(cn1)CNN PB20222 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.8 c1cnc(cn1)\C=N\O AB84941 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.8 c1cnc(nc1)CC#N PB12692 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.8 c1cnc(nc1)CC=O AB57641 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.8 c1cnc(nc1)CCN AB55156 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.8 c1cnc(nc1)CNN PB21406 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.8 c1cnccc1CCN AB01702 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.8 c1cncnc1CC#N PB22811 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.8 c1cncnc1CC=O AB57648 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.8 c1cncnc1CCN PB14818 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.8 c1cnncc1CC#N PB25603 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.8 c1cnncc1CCN AB62610 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.8 c1cnncc1CNN PB35490 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.2 C#Cc1ccccn1 PB17077 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.2 C#Cc1cccnc1 PB29186 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.2 C#Cc1cnccn1 PB18058 [1,0,0,0,0,0|0,0,2]=3 42 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 CNc1ccncn1 AB60623 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 CNc1cncnc1 AB60774 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 CNc1ncccn1 AB05135 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 COc1cccnn1 AB05130 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 COc1ccnnc1 AB44150 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 c1c(cncn1)CCl PB31962 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 c1c(cncn1)CCl PB34530 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 c1c(cncn1)CN PB26277 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 c1c(cncn1)CO PB18631 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 c1cc(cnc1)CCl AB01984 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 c1cc(cnc1)CN AB00752 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 c1cc(cnc1)NN AB42924 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 c1cc(cnc1)NN PB18886 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 c1cc(nnc1)CCl PB28814 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 c1cc(nnc1)CN PB29341 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 c1cc(nnc1)CO PB30818 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 c1ccnc(c1)CBr MB02148 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 c1ccnc(c1)CCl AB22495 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 c1ccnc(c1)CN AB00731 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 c1cnc(cn1)C#N AB02102 [1,0,0,0,0,0|1,0,1]=3 66 B8R1.2 c1cnc(cn1)C=O PB19982 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.2 c1cnc(cn1)CCl PB20483 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.2 c1cnc(cn1)CN PB14180 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.2 c1cnc(cn1)CO PB21779 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.2 c1cnc(cn1)NN PB12798 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 c1cnc(nc1)CCl PB20403 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 c1cnc(nc1)CN CB11589 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 c1cnc(nc1)CN PB23443 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 c1cnc(nc1)CO PB12410 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 c1cncnc1CCl AB58895 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 c1cncnc1CN PB10439 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 c1cncnc1CO PB12296 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 c1cnncc1CN PB31361 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 c1cnncc1CO PB26178 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.1 C#CCc1ccc(cn1)Br AB73237 [0,1,0,0,0,0|1,0,2]=4 81 B10R1.1 C#CCc1ccc(cn1)Cl AB73238 [0,1,0,0,0,0|1,0,2]=4 82 B10R1.1 C#CCc1ccc(cn1)F AB73236 [0,1,0,0,0,0|1,0,2]=4 83 B10R1.1 C#CCc1ccc(nc1)Br AB69172 [0,1,0,0,0,0|1,0,2]=4 84 B10R1.1 C#CCc1ccc(nc1)Cl AB69169 [0,1,0,0,0,0|1,0,2]=4 85 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.1 CCNc1ccc(cn1)Br AB51199 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.1 CCOc1ccc(cn1)Br AB05210 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.1 CCOc1ccc(cn1)N AB09602 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.1 CCOc1ccc(nn1)Cl MB01118 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.1 CCOc1cnc(cn1)Br AB51350 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.1 CCOc1cnc(nc1)Br PB31743 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.1 CCOc1cnc(nc1)Cl PB17760 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.1 CCOc1ncc(cn1)Br AB41256 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.1 CCOc1ncc(cn1)N AB58985 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.1 CNCc1ccc(cn1)Br AB49704 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.1 CNCc1ccc(cn1)F AB67668 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.1 CNCc1ccc(cn1)N AB67748 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.1 CNCc1ccc(nc1)Br AB67269 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.1 CNCc1ncc(cn1)Cl AB59174 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.1 Cc1ccc(cn1)CNC AB63786 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.1 Cc1ccc(nc1)CNC AB67504 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.1 Cc1cnc(cn1)CCN AB69468 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.1 Cc1cnc(nc1)CCN AB59260 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.1 Cc1ncc(cn1)CCN AB59372 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.1 c1c(cnc(n1)CCO)Cl AB59166 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.1 c1c(ncc(n1)Cl)CCBr AB69919 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.1 c1c(ncc(n1)N)CC#N AB65850 [0,1,0,0,0,0|1,0,1]=3 116 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.1 c1cc(ncc1Br)CC#N PB27797 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.1 c1cc(ncc1CC#N)Cl AB17555 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.1 c1cc(ncc1Cl)CC#N AB55145 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.4 CCCc1cncnc1Cl AB55649 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.4 CCOc1c(cccn1)Br AB05207 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.4 CCOc1c(cccn1)I AB05213 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.4 CNCc1c(cccn1)F PB12566 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.4 CNCc1cccnc1Cl AB53845 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.4 CNCc1cnccc1Br AB67968 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.4 CNCc1cnccc1Cl AB67984 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.4 CNCc1cnccc1F AB68060 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.4 Cc1cccnc1CCN AB31462 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.4 Cc1ccncc1CCN AB55157 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.4 Cc1ccncc1CNC AB67828 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.4 c1cc(c(nc1)CC#N)Br PB13243 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.4 c1cc(c(nc1)Cl)CC#N PB13101 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.4 c1cnc(c(n1)CC#N)Cl PB11137 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.4 c1cncc(c1Br)CC#N AB74620 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.4 c1cncc(c1Br)CCN AB45481 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.4 c1cncc(c1Cl)CCN AB68002 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.4 c1cncc(c1F)CCN AB55177 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.10 CCCc1cccc(n1)N AB03673 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.10 CCCc1ccnc(c1)N AB03633 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.10 CCOc1cc(ccn1)Br AB05209 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.10 CCOc1cc(ccn1)N AB05301 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.10 CCOc1cc(cnc1)Br AB05134 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.10 CCOc1cc(ncn1)Br MB14207 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.10 CCOc1cc(ncn1)Cl AB16426 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.10 CCOc1cccc(n1)Br AB05279 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.10 CCOc1cccc(n1)N AB05302 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.10 CCOc1ccnc(n1)Br MB14088 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.10 CCOc1cncc(n1)Cl AB52638 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.10 CCOc1nccc(n1)Br AB54363 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.10 CNCc1cc(ccn1)Br AB40680 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.10 CNCc1cc(ccn1)F AB68057 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.10 CNCc1cc(ccn1)N AB40666 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.10 CNCc1cc(cnc1)Br AB41067 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.10 CNCc1cc(cnc1)F AB67670 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.10 CNCc1cc(cnc1)N AB67751 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.10 CNCc1cccc(n1)Br AB48344 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.10 CNCc1cccc(n1)Cl AB67315 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.10 CNCc1cccc(n1)F AB72833 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.10 Cc1cc(cnc1)CNC AB67507 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.10 Cc1cc(ncn1)CCN AB64311 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.10 Cc1cccc(n1)CNC AB01381 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.10 Cc1ccnc(c1)CNC AB52584 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.10 Cc1ccnc(n1)CCN AB59280 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.10 c1c(cncc1Br)CC#N PB14457 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.10 c1c(cncc1Br)CCN AB41071 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.10 c1c(cncc1Br)CNN PB37854 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.10 c1c(cncc1Cl)CCN AB67621 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.10 c1c(cncc1F)CC#N PB29755 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.10 c1c(cncc1F)CCN AB55166 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.10 c1c(cncc1N)CCN AB67760 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.10 c1cc(nc(c1)Br)CC#N AB48704 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.10 c1cc(nc(c1)Cl)CC#N AB51195 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.10 c1cc(nc(c1)F)CC#N AB55154 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.10 c1cnc(cc1Br)CCN AB55853 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.10 c1cnc(cc1F)CCN AB55195 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.10 c1cnc(nc1N)CCN AB59298 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.10 c1cnc(nc1O)CCN AB59283 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.15 CC(c1cccnc1)NC CB11165 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,1,0,0,0,0|1,0,1]=3 223 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,1,0,0,0,0|0,0,1]=2 224 B10R1.15 CCC(c1cnccn1)N PB31632 [0,1,0,0,0,0|0,0,0]=1 225 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,1,0,0,0,0|1,0,1]=3 226 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,1,0,0,0,0|1,0,1]=3 227 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.17 C#CCOc1cccnc1 AB61421 [0,1,0,0,0,0|1,0,2]=4 238 B10R1.17 CNCCc1cccnc1 AB10676 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.17 CNCCc1ccncc1 AB02055 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.17 c1c(cncn1)CCC=O AB57646 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,1,0,0,0,0|1,0,1]=3 242 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,1,0,0,0,0|1,0,1]=3 246 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,1,0,0,0,0|0,0,1]=2 250 B10R1.17 c1cnc(nc1)CCC=O AB57644 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.17 c1cnc(nc1)NCCN AB49586 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.17 c1cnccc1CCCN AB43583 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.17 c1cncnc1CCC=O AB57649 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,1,0,0,0,0|1,0,1]=3 255 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,1,0,0,0,0|1,0,1]=3 256 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,1,0,0,0,0|1,0,1]=3 257 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,1,0,0,0,0|0,0,0]=1 263 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,1,0,0,0,0|1,0,1]=3 267 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [0,0,0,1,0,0|2,0,0]=3 268 B10R2.7 c1c2c(ncn1)CNC2 PB18873 [0,0,0,1,0,0|3,0,0]=4 269 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [0,0,0,1,0,0|3,0,0]=4 270 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [0,0,0,1,0,0|2,0,0]=3 271 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,0,0,1,0,0|2,0,0]=3 272 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,0,0,1,0,0|3,0,0]=4 273 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [0,0,0,1,0,0|1,0,1]=3 274 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [0,0,0,1,0,0|1,0,0]=2 275 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [0,0,0,1,0,0|1,0,0]=2 276 B10R2.7 c1cncc2=CCN=c21 PB12213 [0,0,0,1,0,0|2,0,1]=4 277 B10R2.7 c1cncc2=NCC=c21 PB21773 [0,0,0,1,0,0|2,0,1]=4 278 B10R2.7 c1cncc2c1CNC2 AB30511 [0,0,0,1,0,0|2,0,0]=3 279 B10R2.7 c1cncc2c1CNC2 PB24193 [0,0,0,1,0,0|2,0,0]=3 280 B10R2.7 c1nc2=NCC=c2nn1 AB72444 [0,0,0,1,0,0|2,0,1]=4 281 B8R1.8 C#CCn1ccnc1 AB25329 [0,0,0,0,1,0|1,0,2]=4 282 B8R1.8 C(CCl)c1[nH]nnn1 AB16838 [0,0,0,0,1,0|3,0,0]=4 283 B8R1.8 C(CO)c1[nH]nnn1 AB16834 [0,0,0,0,1,0|3,0,0]=4 284 B8R1.8 C1=NC=NC1CC#N PB21883 [0,0,0,0,1,0|1,0,2]=4 285 B8R1.8 C1=NC=NC1CCO PB21680 [0,0,0,0,1,0|1,0,1]=3 286 B8R1.8 C1=NN=CC1CCN AB30567 [0,0,0,0,1,0|2,0,1]=4 287 B8R1.8 C1=NN=CC1CCO AB14476 [0,0,0,0,1,0|2,0,1]=4 288 B8R1.8 C1C=C(N=N1)CCN AB60568 [0,0,0,0,1,0|2,0,1]=4 289 B8R1.8 C1C=NC(=N1)CC=O AB45831 [0,0,0,0,1,0|1,0,2]=4 290 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,0,0,0,1,0|1,0,1]=3 291 B8R1.8 C1N=CC=[N+]1CCN AB72185 [0,0,0,0,1,0|2,0,1]=4 292 B8R1.8 CNCC1=NC=NC1 AB57901 [0,0,0,0,1,0|1,0,1]=3 293 B8R1.8 CNCC1=NN=CC1 AB27908 [0,0,0,0,1,0|2,0,1]=4 294 B8R1.8 CNCc1cccs1 AB13997 [0,0,0,0,1,0|2,0,0]=3 295 B8R1.8 CNCc1ccno1 AB27949 [0,0,0,0,1,0|2,0,0]=3 296 B8R1.8 CNCc1ccon1 AB27911 [0,0,0,0,1,0|2,0,0]=3 297 B8R1.8 CNCc1ccon1 AB27912 [0,0,0,0,1,0|2,0,0]=3 298 B8R1.8 CNCc1cncs1 AB27956 [0,0,0,0,1,0|2,0,0]=3 299 B8R1.8 CNCc1cnsc1 AB74097 [0,0,0,0,1,0|2,0,0]=3 300 B8R1.8 CNCc1cocn1 AB63386 [0,0,0,0,1,0|2,0,0]=3 301 B8R1.8 CNCc1cscn1 AB27945 [0,0,0,0,1,0|2,0,0]=3 302 B8R1.8 CNCc1cscn1 AB27947 [0,0,0,0,1,0|2,0,0]=3 303 B8R1.8 CNCc1nccs1 AB12715 [0,0,0,0,1,0|2,0,0]=3 304 B8R1.8 COCc1[nH]ccn1 PB20902 [0,0,0,0,1,0|1,0,1]=3 305 B8R1.8 COCn1ccnn1 AB72401 [0,0,0,0,1,0|3,0,0]=4 306 B8R1.8 c1[nH]c(nn1)CCN AB39245 [0,0,0,0,1,0|2,0,1]=4 307 B8R1.8 c1[nH]c(nn1)CCN AB57486 [0,0,0,0,1,0|2,0,1]=4 308 B8R1.8 c1c(con1)CCN AB28074 [0,0,0,0,1,0|2,0,0]=3 309 B8R1.8 c1c(con1)CCO AB22774 [0,0,0,0,1,0|2,0,0]=3 310 B8R1.8 c1c(ncs1)CCN AB45423 [0,0,0,0,1,0|2,0,0]=3 311 B8R1.8 c1cc(sc1)CCN PB12982 [0,0,0,0,1,0|2,0,0]=3 312 B8R1.8 c1cc(sc1)CCO PB32074 [0,0,0,0,1,0|2,0,0]=3 313 B8R1.8 c1cc(sc1)CNN PB12479 [0,0,0,0,1,0|3,0,0]=4 314 B8R1.8 c1ccn(c1)CCBr MB00850 [0,0,0,0,1,0|3,0,0]=4 315 B8R1.8 c1cn(cn1)CCN AB13191 [0,0,0,0,1,0|2,0,0]=3 316 B8R1.8 c1cn(nn1)CCBr AB64262 [0,0,0,0,1,0|3,0,0]=4 317 B8R1.8 c1cn(nn1)CCCl AB64265 [0,0,0,0,1,0|3,0,0]=4 318 B8R1.8 c1cn(nn1)CCN AB28528 [0,0,0,0,1,0|3,0,0]=4 319 B8R1.8 c1cn(nn1)CCO AB16637 [0,0,0,0,1,0|3,0,0]=4 320 B8R1.8 c1cnn(c1)CCN AB15836 [0,0,0,0,1,0|2,0,0]=3 321 B8R1.8 c1coc(n1)CC=O AB57661 [0,0,0,0,1,0|2,0,1]=4 322 B8R1.8 c1csc(n1)CC#N PB29400 [0,0,0,0,1,0|2,0,1]=4 323 B8R1.8 c1csc(n1)CC=O AB57662 [0,0,0,0,1,0|2,0,1]=4 324 B8R1.8 c1csc(n1)CCN AB28436 [0,0,0,0,1,0|2,0,0]=3 325 B8R1.8 c1csc(n1)CCN AB43209 [0,0,0,0,1,0|2,0,0]=3 326 B8R1.8 c1cscc1CC#N PB19846 [0,0,0,0,1,0|2,0,1]=4 327 B8R1.8 c1cscc1CCN PB24618 [0,0,0,0,1,0|2,0,0]=3 328 B8R1.8 c1cscc1CCO PB25903 [0,0,0,0,1,0|2,0,0]=3 329 B8R1.8 c1cscc1CNN PB25191 [0,0,0,0,1,0|3,0,0]=4 330 B8R1.8 c1ncn(n1)CCBr AB15840 [0,0,0,0,1,0|2,0,0]=3 331 B8R1.8 c1ncn(n1)CCN AB09728 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.8 c1nnc(o1)CCN AB57621 [0,0,0,0,1,0|3,0,0]=4 333 B8R1.8 c1nnc(s1)CCN PB27207 [0,0,0,0,1,0|3,0,0]=4 334 B8R1.8 c1nncn1CCO AB13932 [0,0,0,0,1,0|3,0,0]=4 335 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|2,0,0]=4 336 B7R1.3 Cc1ccncn1 PB17038 [2,0,0,0,0,0|2,0,0]=4 337 B7R1.3 Cc1ccnnc1 PB24546 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.3 Cc1nccnn1 AB55984 [2,0,0,0,0,0|1,0,0]=3 339 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|2,0,0]=4 340 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|2,0,0]=4 341 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|2,0,0]=4 343 B7R1.3 c1cnc(cn1)Br MB06072 [2,0,0,0,0,0|1,0,0]=3 344 B7R1.3 c1cnc(cn1)I AB08841 [2,0,0,0,0,0|1,0,0]=3 345 B7R1.3 c1cnc(cn1)N PB30528 [2,0,0,0,0,0|1,0,0]=3 346 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|1,0,0]=3 347 B7R1.3 c1cnnc(n1)Cl AB72415 [2,0,0,0,0,0|2,0,0]=4 348 B7R1.3 c1cnnc(n1)N AB00769 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.1 C#Cc1cnc(cn1)Br AB63400 [1,1,0,0,0,0|0,0,2]=4 350 B9R1.1 C#Cc1cnc(cn1)Cl AB69152 [1,1,0,0,0,0|0,0,2]=4 351 B9R1.1 C#Cc1cnc(cn1)F AB85723 [1,1,0,0,0,0|0,0,2]=4 352 B9R1.1 CCc1ccc(cn1)N AB63590 [1,1,0,0,0,0|1,0,0]=3 353 B9R1.1 CCc1ccc(cn1)O MB03842 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.1 CCc1cnc(cn1)Br AB64001 [1,1,0,0,0,0|0,0,0]=2 356 B9R1.1 CCc1cnc(cn1)Cl AB73111 [1,1,0,0,0,0|0,0,0]=2 357 B9R1.1 CCc1cnc(cn1)N AB60527 [1,1,0,0,0,0|0,0,0]=2 358 B9R1.1 CCc1cnc(nc1)Cl PB27514 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.1 CCc1cnc(nc1)N AB51220 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.1 CCc1ncc(cn1)N PB12017 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.1 CNc1ccc(cn1)O AB69733 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.1 CNc1cnc(cn1)Br MB08140 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.1 COc1ccc(cn1)Br AB08771 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.1 COc1ccc(cn1)F AB13611 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.1 COc1ccc(cn1)N PB27370 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.1 COc1ccc(cn1)O CB10969 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.1 COc1ccc(nc1)Br PB22062 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.1 COc1ccc(nc1)F AB66773 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.1 COc1ccc(nc1)I AB11726 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.1 COc1ccc(nc1)N PB14487 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.1 COc1cnc(cn1)Br PB10528 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.1 COc1cnc(cn1)Cl PB22219 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.1 COc1cnc(cn1)I AB75719 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.1 COc1cnc(cn1)N PB26534 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 CSc1ccc(cn1)O MB25590 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.1 CSc1cnc(cn1)Br MB07628 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.1 CSc1cnc(cn1)N AB43836 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 Cc1cnc(cn1)C#N AB20698 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.1 Cc1cnc(cn1)C=O PB23818 [1,1,0,0,0,0|1,0,1]=4 393 B9R1.1 Cc1cnc(cn1)CCl PB10823 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.1 Cc1cnc(cn1)CN PB33936 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.1 c1c(ncc(n1)Br)C#N PB17693 [1,1,0,0,0,0|1,0,1]=4 396 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.1 c1c(ncc(n1)Cl)C#N PB18987 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.1 c1c(ncc(n1)Cl)C=O PB20478 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.1 c1c(ncc(n1)Cl)CCl AB60493 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [1,1,0,0,0,0|1,0,0]=3 401 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [1,1,0,0,0,0|1,0,0]=3 402 B9R1.1 c1c(ncc(n1)Cl)NN PB28798 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.1 c1c(ncc(n1)I)C#N AB70240 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.1 c1c(ncc(n1)N)C#N PB22136 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.1 c1cc(ncc1Br)CCl AB60010 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.1 c1cc(ncc1Br)CN AB23456 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.1 c1cc(ncc1Br)CO AB66533 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.1 c1cc(ncc1Br)CO PB18645 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 c1cc(ncc1CBr)F PB28287 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.1 c1cc(ncc1CN)Br AB27793 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.1 c1cc(ncc1CN)Cl PB17175 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 c1cc(ncc1CN)F PB19133 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 c1cc(ncc1CO)Br PB14409 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.1 c1cc(ncc1CO)Cl PB17199 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.1 c1cc(ncc1CO)F PB14327 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.1 c1cc(ncc1CO)N PB26211 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.1 c1cc(ncc1Cl)CN AB60187 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.1 c1cc(ncc1Cl)CO AB56068 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.1 c1cc(ncc1F)CCl AB62501 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.1 c1cc(ncc1F)CN AB60189 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.1 c1cc(ncc1F)CO PB22210 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.1 c1cc(ncc1N)CN AB23447 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.1 c1cc(ncc1N)CO AB31872 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.1 c1cc(ncc1O)CN MB14856 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.2 C#Cc1cncc(n1)Cl AB69154 [1,1,0,0,0,0|0,0,2]=4 432 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.2 CCc1cc(ncn1)Br MB09510 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.2 CCc1cc(ncn1)Cl AB51253 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.2 CCc1cc(ncn1)N AB54955 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.2 CCc1cc(ncn1)O AB54953 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.2 CCc1cccc(n1)Br MB10338 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.2 CCc1nccc(n1)Cl AB51249 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.2 CNc1cc(cnc1)O MB32689 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.2 CNc1cccc(n1)Br AB50070 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.2 CNc1cncc(n1)Cl MB07975 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.2 COc1cc(ccn1)Br AB44876 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.2 COc1cc(ccn1)F AB53299 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.2 COc1cc(ccn1)I MB06098 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.2 COc1cc(ccn1)N PB20942 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.2 COc1cc(cnc1)Br PB24634 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.2 COc1cc(cnc1)F AB66777 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.2 COc1cc(cnc1)I AB43793 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 COc1cc(cnc1)N PB12653 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.2 COc1cc(cnc1)N PB25488 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.2 COc1cc(cnc1)O AB29711 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.2 COc1cccc(n1)Cl AB00671 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.2 COc1cccc(n1)F AB55818 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.2 COc1cccc(n1)I AB31101 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.2 COc1cccc(n1)N AB21183 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.2 COc1cccc(n1)O AB31854 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.2 COc1cncc(n1)Cl PB29367 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.2 COc1cncc(n1)N AB54770 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.2 COc1cnnc(n1)Cl AB71503 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.2 CSc1cc(cnc1)O MB28894 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.2 CSc1cccc(n1)Br MB07302 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 CSc1cnnc(n1)Cl AB71510 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 Cc1cc(cnc1)CCl AB55820 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.2 Cc1cc(cnc1)CN AB23459 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.2 Cc1cccc(n1)CCl AB49651 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.2 Cc1cccc(n1)CN AB22796 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.2 Cc1cccc(n1)NC AB60602 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.2 Cc1ccnc(c1)CCl AB42303 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.2 Cc1ccnc(c1)CN AB23452 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.2 Cc1cncc(n1)C=O AB62637 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.2 Cc1cncc(n1)CCl AB60498 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.2 Cc1cncc(n1)CN AB72296 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.2 c1c(cncc1Br)CCl AB60029 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.2 c1c(cncc1Br)CCl PB25120 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.2 c1c(cncc1Br)CN PB23445 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.2 c1c(cncc1Br)CO PB29242 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.2 c1c(cncc1Cl)CCl AB60038 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.2 c1c(cncc1Cl)CCl PB33259 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.2 c1c(cncc1Cl)CN AB63152 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.2 c1c(cncc1F)CCl PB35002 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.2 c1c(cncc1F)CN PB29533 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.2 c1c(cncc1F)CO PB12255 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.2 c1c(cncc1I)CCl AB45545 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.2 c1c(cncc1I)CO AB45541 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.2 c1c(cncc1N)CN AB31384 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.2 c1c(cncc1N)CO AB31625 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.2 c1c(cncc1O)CN MB28837 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [1,1,0,0,0,0|1,0,0]=3 505 B9R1.2 c1c(nc(cn1)Cl)C#N PB26471 [1,1,0,0,0,0|1,0,1]=4 506 B9R1.2 c1c(nc(cn1)Cl)C=O PB16295 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.2 c1c(nc(cn1)N)C#N PB28163 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.2 c1cc(nc(c1)F)CN AB66365 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.2 c1cc(nc(c1)I)CO AB42511 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 c1cc(nc(c1)N)CO AB53761 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 c1cnc(cc1Br)CCl AB67964 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 c1cnc(cc1Br)CN PB17414 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 c1cnc(cc1Br)CO PB31388 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 c1cnc(cc1Cl)CN PB27784 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 c1cnc(cc1F)CCl AB68051 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.2 c1cnc(cc1F)CN AB65162 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 c1cnc(cc1O)CN MB14853 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.6 B(c1cnccn1)(O)O AB48451 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,1,0,0,0,0|1,0,1]=4 535 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,1,0,0,0,0|0,0,1]=3 536 B9R1.6 CC(C)c1ccccn1 PB21659 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.6 CC(c1ccccn1)N AB21604 [1,1,0,0,0,0|1,0,0]=3 539 B9R1.6 CC(c1cccnc1)N AB09764 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.6 CC(c1ccncn1)N PB34498 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.6 CC(c1ccnnc1)N PB22705 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.6 CC(c1cnccn1)N PB14922 [1,1,0,0,0,0|0,0,0]=2 543 B9R1.6 CC(c1cncnc1)N PB22435 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.6 CC(c1ncccn1)N AB59468 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.6 C[C@H](c1cncnc1)N PB28768 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.6 c1cc(cnc1)C(F)F AB64034 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.6 c1ccnc(c1)C(F)F AB64042 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.6 c1cnc(cn1)C(=N)N AB02172 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,1,0,0,0,0|1,0,1]=4 553 B9R1.15 CCc1c(cccn1)Br AB68544 [1,1,0,0,0,0|1,0,0]=3 554 B9R1.15 CCc1c(cccn1)O MB01433 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.15 CCc1c(cncn1)F PB21906 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.15 CCc1cnccc1Br PB37149 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.15 CCc1cnccc1O MB24095 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.15 CCc1cncnc1Cl AB62552 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.15 CNc1c(nccn1)Cl MB13992 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.15 CNc1cccnc1Br AB39252 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.15 CNc1cnccc1O MB29366 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.15 COc1c(cccn1)Br PB20024 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.15 COc1c(cccn1)Cl AB13603 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.15 COc1c(cccn1)F AB13397 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.15 COc1c(cccn1)I AB13400 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.15 COc1c(cccn1)N AB07386 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.15 COc1c(cccn1)O AB06074 [1,1,0,0,0,0|2,0,0]=4 568 B9R1.15 COc1c(nccn1)Cl MB02506 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.15 COc1c(nccn1)N AB22450 [1,1,0,0,0,0|1,0,0]=3 570 B9R1.15 COc1cccnc1Br PB29151 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.15 COc1cccnc1Cl AB14749 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.15 COc1cccnc1I AB05182 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.15 COc1cccnc1N AB40614 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.15 COc1cccnc1O AB43293 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.15 COc1cnccc1Br AB43705 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.15 COc1cnccc1Br MB09674 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.15 COc1cnccc1Cl AB66368 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.15 COc1cnccc1F AB66590 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.15 COc1cnccc1N AB55709 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.15 COc1cnccc1O MB25455 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.15 CSc1c(cccn1)O MB01598 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.15 CSc1cccnc1Br MB13966 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.15 CSc1cnccc1O MB31499 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 Cc1c(cccn1)CN AB14093 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.15 Cc1c(cccn1)CO AB01512 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.15 Cc1c(cccn1)OC AB03569 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.15 Cc1c(nccn1)C#N AB48635 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.15 Cc1c(nccn1)C=O PB13166 [1,1,0,0,0,0|1,0,1]=4 592 B9R1.15 Cc1c(nccn1)CCl PB22746 [1,1,0,0,0,0|1,0,0]=3 593 B9R1.15 Cc1c(nccn1)CN PB38635 [1,1,0,0,0,0|1,0,0]=3 594 B9R1.15 Cc1c(nccn1)CO PB22269 [1,1,0,0,0,0|1,0,0]=3 595 B9R1.15 Cc1cccnc1CCl PB32645 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.15 Cc1cccnc1CN AB20671 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.15 Cc1cccnc1CO AB12590 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.15 Cc1cccnc1OC AB31414 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.15 Cc1ccncc1CCl PB22427 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.15 Cc1ccncc1CN PB14440 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.15 Cc1ccncc1CO PB21746 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 c1cc(c(nc1)F)CN AB23466 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 c1cnc(c(n1)C#N)Cl PB12144 [1,1,0,0,0,0|1,0,1]=4 629 B9R1.15 c1cnc(c(n1)C#N)N AB10707 [1,1,0,0,0,0|1,0,1]=4 630 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [1,1,0,0,0,0|1,0,1]=4 631 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [1,1,0,0,0,0|1,0,1]=4 632 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [1,1,0,0,0,0|1,0,0]=3 633 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.15 c1cnc(c(n1)CN)N AB53146 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [1,1,0,0,0,0|1,0,0]=3 636 B9R1.15 c1cnc(c(n1)NN)Cl PB16012 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.15 c1cncc(c1Br)CCl AB67965 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.15 c1cncc(c1Br)CN AB67954 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.15 c1cncc(c1Cl)CCl AB60091 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.15 c1cncc(c1Cl)CN AB49675 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 c1cncc(c1F)CCl AB68054 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.15 c1cncc(c1F)CN AB68023 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 c1cncc(c1N)CCl AB31893 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.15 c1cncc(c1N)CO PB14435 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.15 c1cncc(c1O)CN MB35531 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.15 c1nc(c(nn1)CN)Cl AB85242 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.7 C1=NC(=NC1Br)CCN AB58063 [0,1,0,0,1,0|1,0,1]=4 648 B9R1.7 CC1=NC(=NC1)CCN AB28221 [0,1,0,0,1,0|1,0,1]=4 649 B9R1.7 CCCC1=NN=C(C1)N AB53750 [0,1,0,0,1,0|1,0,1]=4 650 B9R1.7 CCOc1nc(cs1)Br AB42966 [0,1,0,0,1,0|2,0,0]=4 651 B9R1.7 CNCC1=NC(=O)N=N1 AB27930 [0,1,0,0,1,0|2,0,0]=4 652 B9R1.7 Cc1[nH]c(cn1)CCN AB76713 [0,1,0,0,1,0|1,0,1]=4 653 B9R1.7 Cc1coc(n1)CNC AB70150 [0,1,0,0,1,0|2,0,0]=4 654 B9R1.7 Cc1csc(n1)CCN AB21609 [0,1,0,0,1,0|2,0,0]=4 655 B9R1.7 Cc1nc(cs1)CNC AB28276 [0,1,0,0,1,0|2,0,0]=4 656 B9R1.7 Cc1nc(on1)CCN AB55666 [0,1,0,0,1,0|2,0,0]=4 657 B9R1.7 Cn1cc(cn1)CCN AB45456 [0,1,0,0,1,0|2,0,0]=4 658 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,1,0,0,1,0|2,0,0]=4 659 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,1,0,0,1,0|2,0,0]=4 660 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,1,0,0,1,0|2,0,0]=4 661 B9R1.12 C1=NC=NC1CCCN AB10031 [0,1,0,0,1,0|0,0,1]=3 662 B9R1.12 C1C=NC(=N1)CCCN AB55095 [0,1,0,0,1,0|0,0,1]=3 663 B9R1.12 CNCCc1cccs1 AB18501 [0,1,0,0,1,0|1,0,0]=3 664 B9R1.12 CNCCn1cccn1 AB48422 [0,1,0,0,1,0|1,0,0]=3 665 B9R1.12 c1ccn(c1)CCCBr MB00854 [0,1,0,0,1,0|2,0,0]=4 666 B9R1.12 c1cn(nn1)CCCN AB16646 [0,1,0,0,1,0|2,0,0]=4 667 B9R1.12 c1ncn(n1)CCCN AB15838 [0,1,0,0,1,0|1,0,0]=3 668 B9R1.33 CC1=NC=NC1CCN AB45417 [0,1,0,0,1,0|1,0,1]=4 669 B9R1.33 CNCc1cccn1C AB22465 [0,1,0,0,1,0|1,0,1]=4 670 B9R1.33 CNCc1cncn1C AB42250 [0,1,0,0,1,0|1,0,1]=4 671 B9R1.33 Cc1c(non1)CNC AB27939 [0,1,0,0,1,0|2,0,0]=4 672 B9R1.33 Cc1c(scn1)CCBr AB76661 [0,1,0,0,1,0|2,0,0]=4 673 B9R1.33 Cc1c(scn1)CCCl AB07565 [0,1,0,0,1,0|2,0,0]=4 674 B9R1.33 Cc1c(scn1)CCN AB43197 [0,1,0,0,1,0|2,0,0]=4 675 B9R1.33 Cc1c(scn1)CCO AB00407 [0,1,0,0,1,0|2,0,0]=4 676 B9R1.33 Cn1ccnc1CCN AB26757 [0,1,0,0,1,0|1,0,1]=4 677 B11R1.1 CCCOc1cnc(cn1)Br AB54208 [0,2,0,0,0,0|0,0,0]=2 678 B11R1.1 CCCOc1ncc(cn1)Br AB41267 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.1 CNCCc1ccc(cc1)Br AB27732 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.1 CNCCc1ccc(cc1)Cl AB27728 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.1 CNCCc1ccc(cc1)F AB27731 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.1 CNCCc1ccc(cc1)N AB27726 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.1 Cc1ccc(cn1)CCCN AB66947 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.1 Cc1cnc(cn1)CCCN AB69908 [0,2,0,0,0,0|0,0,0]=2 687 B11R1.1 c1c(ncc(n1)Cl)CCCN AB69913 [0,2,0,0,0,0|0,0,0]=2 688 B11R1.1 c1cc(ccc1CCCN)Br AB23350 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.1 c1cc(ccc1CCCN)Cl AB23351 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.1 c1cc(ccc1CCCN)F AB38689 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.1 c1cc(ccc1CCCN)F AB66835 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.1 c1cc(ccc1CCCN)N AB51238 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.1 c1cc(ccc1CCCN)O AB07598 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.1 c1cc(ccc1CCCO)Br CB11205 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.1 c1cc(ncc1CCCN)Br AB55119 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.1 c1cc(ncc1CCCN)Cl AB55114 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.20 CC(=O)Nc1cnc(cn1)Br MB14371 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.20 CC(=O)Oc1cnc(cn1)Br MB14264 [0,2,0,0,0,0|1,0,1]=4 699 B11R1.20 CC(C)Cc1cnc(cn1)Br AB72274 [0,2,0,0,0,0|0,0,0]=2 700 B11R1.20 CC(C)Cc1cnc(cn1)Cl AB73109 [0,2,0,0,0,0|0,0,0]=2 701 B11R1.20 CC(C)Cc1cnc(cn1)N AB60522 [0,2,0,0,0,0|0,0,0]=2 702 B11R1.20 CC(C)Cc1cnc(nc1)N AB60175 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.20 CC(C)Cc1ncc(cn1)N AB58993 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.20 CC(C)Oc1cnc(cn1)Br AB54269 [0,2,0,0,0,0|1,0,0]=3 709 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [0,2,0,0,0,0|1,0,1]=4 717 B11R1.20 c1c(ncc(n1)Cl)CC(=O)O AB69911 [0,2,0,0,0,0|1,0,1]=4 718 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,2,0,0,0,0|1,0,1]=4 719 B11R1.22 CCN(C)c1cnc(cn1)Br AB54275 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.22 CNC(=O)c1cnc(cn1)Br MB14257 [0,2,0,0,0,0|1,0,1]=4 721 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,2,0,0,0,0|1,0,1]=4 722 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,2,0,0,0,0|1,0,1]=4 724 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,2,0,0,0,0|1,0,1]=4 725 B11R1.81 CCOc1c(cc(cn1)Br)F AB40985 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.81 CCOc1c(cc(cn1)Br)I AB31057 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.81 CCOc1c(cc(cn1)Br)N AB40966 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.81 CCOc1c(cc(cn1)Cl)F AB41060 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.81 CCOc1c(cc(cn1)Cl)N AB41041 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.81 CCOc1c(cc(cn1)N)F AB40828 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.81 Cc1c(ccc(n1)Cl)CCN AB85389 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.81 Cc1cc(c(cn1)CCN)Cl AB83329 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.81 Cc1cc(c(cn1)CCN)F AB83049 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.81 Cc1cc(cnc1CCN)Cl AB83241 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.81 Cc1cc(cnc1CCN)F AB82903 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.81 Cc1cc(ncc1CCN)C AB82577 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.81 Cc1cc(ncc1CCN)Cl AB83351 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.81 Cc1cc(ncc1CCN)F AB83069 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.81 c1c(c(cnc1F)CCN)Cl AB83191 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.81 c1c(cnc(c1Cl)CCN)F AB83122 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.81 c1c(cnc(c1F)CCN)Cl AB83116 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.83 CCCc1ccc(cc1)NN AB23596 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.83 CCCc1ccc(cn1)C#N AB28605 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.83 CCCc1cnc(nc1)CCl AB59425 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.83 CCCc1cnc(nc1)CN AB63221 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.83 CCOc1ccc(cn1)C#C AB68996 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.83 CCOc1ccc(cn1)CCl AB59947 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.83 CCOc1ccc(nc1)C=O AB73192 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.83 CNCc1ccc(cn1)C#N AB67719 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.83 CNCc1ccc(cn1)OC AB67556 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.83 CNCc1ccc(nc1)C#N AB67399 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.83 CNCc1ccc(nc1)OC AB67058 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.83 COc1ccc(cn1)CCBr AB72327 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.83 COc1ccc(cn1)CCN AB45430 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.83 COc1ccc(nc1)CCBr AB73197 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.83 COc1ccc(nc1)CCN AB65488 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.83 COc1cnc(cn1)CCBr AB69891 [0,2,0,0,0,0|1,0,0]=3 761 B11R1.83 COc1cnc(cn1)CCN AB69885 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.83 c1cc(ncc1C#N)CCN AB67733 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.83 c1cc(ncc1CCN)C#N AB67410 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.192 CCOc1cc(c(cn1)N)N AB66694 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.192 Cc1c(cc(cn1)CCN)Cl AB83313 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.192 Cc1c(cc(cn1)CCN)F AB83027 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.192 Cc1c(ccc(n1)CCN)Cl AB83323 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.192 Cc1c(ccc(n1)CCN)F AB55176 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.192 Cc1cc(cnc1C)CCN AB82569 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.192 Cc1cc(cnc1Cl)CCN AB83362 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.192 Cc1cc(cnc1F)CCN AB55181 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.192 Cc1cc(ncc1Br)CCN AB41181 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.192 Cc1cc(ncc1C)CCN AB65480 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.192 Cc1cc(ncc1Cl)CCN AB41187 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.192 Cc1ccc(nc1C)CCN AB65477 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.192 Cc1ccc(nc1Cl)CCN AB83357 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.192 Cc1ccc(nc1F)CCN AB83081 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.192 Cc1cnc(cc1Cl)CCN AB83280 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.192 Cc1cnc(cc1F)CCN AB82959 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.192 c1c(cnc(c1Cl)F)CCN AB83170 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.192 c1c(cnc(c1F)Cl)CCN AB83221 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.192 c1c(cnc(c1O)Cl)CCN AB84106 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.192 c1c(ncc(c1Cl)Cl)CCN AB70219 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.192 c1c(ncc(c1Cl)F)CCN AB83159 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.192 c1c(ncc(c1F)Cl)CCN AB82991 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.192 c1c(ncc(c1N)Cl)CCN AB83920 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.192 c1c(ncc(c1O)Cl)CCN AB84047 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.192 c1cc(c(nc1CCN)Cl)F AB83216 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.192 c1cc(c(nc1CCN)F)Cl AB83176 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.192 c1cc(c(nc1CCN)O)Cl AB84087 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.13 CCOc1c(c(ccn1)C)Br AB68546 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.13 Cc1c(cncc1Cl)CCN AB83292 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.13 Cc1cncc(c1C)CCN AB82560 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.13 Cc1cncc(c1Cl)CCN AB83272 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.13 Cc1cncc(c1F)CCN AB82944 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.13 c1c(c(c(cn1)Cl)F)CCN AB82977 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.13 c1c(c(c(cn1)F)Cl)CCN AB83150 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.13 c1c(c(c(cn1)O)Cl)CCN AB84001 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.13 c1cnc(c(c1Cl)F)CCN AB83139 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.13 c1cnc(c(c1Cl)N)CCN AB83872 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.13 c1cnc(c(c1F)Cl)CCN AB83008 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.13 c1cnc(c(c1N)Cl)CCN AB83929 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.13 c1cnc(c(c1O)Cl)CCN AB84057 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.17 Cc1ccccc1CCCN AB38679 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.17 Cc1ccncc1CCCN AB67853 [0,2,0,0,0,0|1,0,0]=3 816 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [0,2,0,0,0,0|1,0,0]=3 818 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.17 c1cncc(c1F)CCCN AB68073 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.41 CCCc1c(cccn1)C#N AB28607 [0,2,0,0,0,0|1,0,0]=3 824 B11R1.41 CCCc1ccccc1NN AB27885 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.41 CCOc1c(cccn1)C#C AB69075 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.41 CCOc1c(cccn1)C=O AB30394 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.41 CNCc1cnccc1OC AB67885 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.41 COc1c(cccn1)CCN AB45444 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.41 COc1ccncc1CCN AB45493 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.41 c1cncc(c1C#N)CCN AB68138 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.86 CC(C)Oc1c(nccn1)Cl MB13976 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.86 CC(C)Oc1cnccc1O MB23247 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl PB36328 [0,2,0,0,0,0|1,0,1]=4 839 B11R1.182 CCOc1c(ncc(n1)Br)N MB06257 [0,2,0,0,0,0|1,0,0]=3 840 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.182 Cc1cc(c(nc1)Cl)CCN AB83239 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.182 Cc1cc(c(nc1)F)CCN AB55183 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.182 c1c(cnc(c1CCN)Cl)F AB83111 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.182 c1cc(nc(c1F)CCN)Cl AB83105 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,2,0,0,0,0|1,0,1]=4 849 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,2,0,0,0,0|1,0,1]=4 850 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,2,0,0,0,0|1,0,1]=4 851 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.605 Cc1c(c(ccn1)Cl)CCN AB83338 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.605 Cc1c(c(ccn1)F)CCN AB83021 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.605 Cc1ccnc(c1CCN)C AB82522 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.605 Cc1ccnc(c1CCN)Cl AB83345 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.605 Cc1ccnc(c1CCN)F AB83058 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.605 c1cnc(c(c1Cl)CCN)F AB83206 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.23 CCN(C)c1cccc(n1)Br AB54124 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.23 CNC(=O)c1cncc(n1)Br MB14297 [0,2,0,0,0,0|1,0,1]=4 860 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,2,0,0,0,0|1,0,1]=4 861 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.24 CCCOc1cccc(n1)Br AB05235 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.24 CCCOc1nccc(n1)Br AB54370 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.24 CNCCc1cccc(c1)Cl AB27739 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.24 Cc1cccc(c1)CCCN AB38680 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.24 Cc1cccc(c1)CCNC AB27735 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.24 Cc1cccc(n1)CCCN AB55096 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.24 Cc1ccnc(c1)CCCN AB55132 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.24 c1cc(cc(c1)Br)CCCN AB23346 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.24 c1cc(cc(c1)Cl)CCCN AB38690 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.24 c1cc(cc(c1)F)CCCN AB38688 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.24 c1cc(nc(c1)Br)CCCN AB55110 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.24 c1cc(nc(c1)Cl)CCCN AB67357 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.24 c1cnc(cc1Br)CCCN AB67970 [0,2,0,0,0,0|1,0,0]=3 875 B11R1.24 c1cnc(cc1Cl)CCCN AB68006 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.24 c1cnc(cc1F)CCCN AB68075 [0,2,0,0,0,0|1,0,0]=3 877 B11R1.34 CCOc1cc(cc(n1)Cl)N AB50353 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.34 Cc1cc(cc(n1)CCN)Br AB82123 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.34 Cc1cc(cc(n1)CCN)Cl AB82103 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.34 Cc1cc(cc(n1)CCN)F AB82080 [0,2,0,0,0,0|2,0,0]=4 881 B11R1.34 Cc1cc(cc(n1)CCN)I AB82141 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.34 Cc1cc(cc(n1)CCN)N AB81987 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.34 Cc1cc(cc(n1)CCN)O AB81997 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.34 Cc1cc(nc(c1)Br)CCN AB81936 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.34 Cc1cc(nc(c1)CCN)C AB45812 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.34 Cc1cc(nc(c1)Cl)CCN AB81919 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.34 Cc1cc(nc(c1)F)CCN AB81898 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.34 Cc1cc(nc(c1)I)CCN AB81955 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.34 Cc1cc(nc(c1)N)CCN AB75353 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.34 Cc1cc(nc(c1)O)CCN AB82191 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.34 c1c(cc(nc1CCN)Br)Br AB81931 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.34 c1c(cc(nc1CCN)Br)Cl AB82095 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.34 c1c(cc(nc1CCN)Br)F AB82072 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.34 c1c(cc(nc1CCN)Br)I AB81933 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.34 c1c(cc(nc1CCN)Br)N AB81939 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.34 c1c(cc(nc1CCN)Br)O AB81950 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.34 c1c(cc(nc1CCN)Cl)Br AB81913 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.34 c1c(cc(nc1CCN)Cl)Cl AB81912 [0,2,0,0,0,0|2,0,0]=4 899 B11R1.34 c1c(cc(nc1CCN)Cl)F AB82070 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.34 c1c(cc(nc1CCN)Cl)I AB81915 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.34 c1c(cc(nc1CCN)Cl)N AB81921 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.34 c1c(cc(nc1CCN)Cl)O AB81929 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.34 c1c(cc(nc1CCN)F)Br AB81891 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.34 c1c(cc(nc1CCN)F)Cl AB81888 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.34 c1c(cc(nc1CCN)F)F AB81887 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.34 c1c(cc(nc1CCN)F)I AB81893 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.34 c1c(cc(nc1CCN)F)N AB81902 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.34 c1c(cc(nc1CCN)F)O AB81911 [0,2,0,0,0,0|2,0,0]=4 909 B11R1.34 c1c(cc(nc1CCN)I)Br AB82119 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.34 c1c(cc(nc1CCN)I)Cl AB82097 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.34 c1c(cc(nc1CCN)I)F AB82074 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.34 c1c(cc(nc1CCN)I)N AB81958 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.34 c1c(cc(nc1CCN)I)O AB81965 [0,2,0,0,0,0|2,0,0]=4 914 B11R1.34 c1c(cc(nc1CCN)N)Br AB82126 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.34 c1c(cc(nc1CCN)N)Cl AB82106 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.34 c1c(cc(nc1CCN)N)F AB82083 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.34 c1c(cc(nc1CCN)N)I AB82146 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.34 c1c(cc(nc1CCN)N)N AB82048 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.34 c1c(cc(nc1CCN)N)O AB82045 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.34 c1c(cc(nc1CCN)O)Br AB82139 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.34 c1c(cc(nc1CCN)O)Cl AB82118 [0,2,0,0,0,0|2,0,0]=4 922 B11R1.34 c1c(cc(nc1CCN)O)F AB82094 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.34 c1c(cc(nc1CCN)O)I AB82159 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.34 c1c(cc(nc1CCN)O)N AB82233 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.34 c1c(cc(nc1CCN)O)O AB82067 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.157 CC(=O)Oc1cncc(n1)Br MB14303 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.157 CC(C)Nc1cc(ccn1)Br MB13934 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.157 CC(C)Oc1cc(ccn1)Br MB10313 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.157 CC(C)Oc1cc(ccn1)O MB23248 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.157 CC(C)Oc1cc(cnc1)Br MB14161 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.157 CC(C)Oc1cc(cnc1)O MB14428 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.157 CC(C)Oc1cccc(n1)Br AB54102 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,2,0,0,0,0|2,0,0]=4 936 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.189 CCCc1cccc(c1)NN AB07394 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.189 CNCc1cc(ccn1)OC AB56429 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.189 CNCc1cc(cnc1)C#N AB67720 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.189 CNCc1cc(cnc1)OC AB67557 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.189 CNCc1cccc(n1)C#N AB67397 [0,2,0,0,0,0|2,0,0]=4 944 B11R1.189 CNCc1cccc(n1)OC AB67055 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.189 COc1cc(cnc1)CCN AB55164 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.189 COc1cccc(n1)CCN AB55158 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.189 COc1ccnc(c1)CCN AB65489 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.189 COc1cncc(n1)CCN AB73161 [0,2,0,0,0,0|1,0,0]=3 949 B11R1.189 c1c(cncc1C#N)CCN AB67732 [0,2,0,0,0,0|2,0,0]=4 950 B11R1.189 c1cc(nc(c1)C#N)CCN AB67413 [0,2,0,0,0,0|2,0,0]=4 951 B11R1.189 c1cnc(cc1C#N)CCN AB68141 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.7 CC(C)(CN)c1cccnc1 AB65048 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.7 c1cc(cnc1)C(CN)(F)F AB63158 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.7 c1ccnc(c1)C(CN)(F)F PB32694 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.7 c1ccnc(c1)C(CO)(F)F PB29587 [0,2,0,0,0,0|2,0,0]=4 957 B11R1.16 CCCC(c1cnccn1)N AB27585 [0,2,0,0,0,0|0,0,0]=2 958 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,2,0,0,0,0|1,0,1]=4 959 B11R1.16 CCOC(=O)c1cncnn1 AB72449 [0,2,0,0,0,0|1,0,1]=4 960 B11R1.16 CCOC(=O)c1cnncn1 AB66560 [0,2,0,0,0,0|1,0,1]=4 961 B11R1.16 CCOC(=O)c1nccnn1 AB56211 [0,2,0,0,0,0|1,0,1]=4 962 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.36 c1cnc(cn1)C(C(=O)O)N AB21620 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.28 CNCCCc1ccccc1 AB10671 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.28 CNCCOc1ccccn1 AB60653 [0,2,0,0,0,0|1,0,0]=3 967 B11R1.28 c1ccc(cc1)CCCCN AB00942 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.28 c1ccc(cc1)CCCCN AB13248 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.28 c1ccc(cc1)COCCN AB05315 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.28 c1ccc(cc1)NCCCN MB00433 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.28 c1ccnc(c1)OCCCN AB60652 [0,2,0,0,0,0|1,0,0]=3 972 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,2,0,0,0,0|1,0,1]=4 975 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,2,0,0,0,0|1,0,1]=4 976 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,2,0,0,0,0|0,0,1]=3 977 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,2,0,0,0,0|2,0,0]=4 981 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,2,0,0,0,0|1,0,1]=4 983 B11R1.509 CC(C)(C)Oc1cccnc1 MB01044 [0,2,0,0,0,0|2,0,0]=4 984 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,2,0,0,0,0|2,0,0]=4 985 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [0,2,0,0,0,0|1,0,0]=3 986 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [0,2,0,0,0,0|1,0,0]=3 987 B11R1.509 CC(C)(Cc1ccncn1)N AB77438 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.509 CC(C)(Cc1cncnc1)N AB77449 [0,2,0,0,0,0|2,0,0]=4 989 B11R1.509 CC(C)(Cc1ncccn1)N AB77436 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.509 c1cnc(cn1)CS(=O)(=O)Cl AB55686 [0,2,0,0,0,0|2,0,0]=4 991 B9R2.2 C1CC1C2=NCC=N2 PB18274 [0,0,0,1,1,0|0,0,1]=3 992 B9R2.2 C1CC1C2C=NC=N2 PB28771 [0,0,0,1,1,0|0,0,1]=3 993 B9R2.2 c1cnn(c1)C2CC2 AB85325 [0,0,0,1,1,0|1,0,0]=3 994 B9R2.3 C1CC2C=NN=C2C1 AB21809 [0,0,0,1,1,0|1,0,1]=4 995 B9R2.3 c1c2c(on1)CNC2 AB76720 [0,0,0,1,1,0|2,0,0]=4 996 B11R2.34 c1c(cnc(n1)C2CC2)Br PB33220 [0,1,0,1,0,0|2,0,0]=4 997 B11R2.34 c1c(cnc(n1)C2CC2)N PB31538 [0,1,0,1,0,0|2,0,0]=4 998 B11R2.34 c1c(ncc(n1)Br)C2CC2 MB09639 [0,1,0,1,0,0|0,0,0]=2 999 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [0,1,0,1,0,0|1,0,0]=3 1000 B11R2.34 c1cc(ncc1C2CC2)Br MB10291 [0,1,0,1,0,0|1,0,0]=3 1001 B11R2.34 c1cc(nnc1C2CC2)Cl MB13911 [0,1,0,1,0,0|2,0,0]=4 1002 B11R2.36 Cc1cc2c(nc1)NCC2 AB26240 [0,1,0,1,0,0|2,0,0]=4 1003 B11R2.36 Cc1ccc2c(n1)CNC2 AB74756 [0,1,0,1,0,0|2,0,0]=4 1004 B11R2.36 c1c(cnc2c1CCN2)Br PB26222 [0,1,0,1,0,0|2,0,0]=4 1005 B11R2.36 c1c(cnc2c1CNC2)Br PB11334 [0,1,0,1,0,0|2,0,0]=4 1006 B11R2.36 c1c(cnc2c1CNC2)Cl AB74656 [0,1,0,1,0,0|2,0,0]=4 1007 B11R2.36 c1c(cnc2c1NCC2)Br AB73731 [0,1,0,1,0,0|2,0,0]=4 1008 B11R2.36 c1c(nc2=CCN=c2n1)Cl PB23882 [0,1,0,1,0,0|1,0,1]=4 1009 B11R2.36 c1c(nc2=NCC=c2n1)Br PB16748 [0,1,0,1,0,0|1,0,1]=4 1010 B11R2.36 c1c(nc2=NCC=c2n1)Cl PB33029 [0,1,0,1,0,0|1,0,1]=4 1011 B11R2.36 c1c(nc2c(n1)CCN2)Cl AB85069 [0,1,0,1,0,0|1,0,0]=3 1012 B11R2.36 c1c(nc2c(n1)CNC2)Cl AB77193 [0,1,0,1,0,0|1,0,0]=3 1013 B11R2.36 c1c(nc2c(n1)NCC2)Br AB85721 [0,1,0,1,0,0|1,0,0]=3 1014 B11R2.36 c1c2c(cnc1Br)CNC2 AB77333 [0,1,0,1,0,0|2,0,0]=4 1015 B11R2.36 c1c2c(cnc1Br)NCC2 AB76736 [0,1,0,1,0,0|2,0,0]=4 1016 B11R2.36 c1c2c(cnc1Cl)CNC2 AB66458 [0,1,0,1,0,0|2,0,0]=4 1017 B11R2.36 c1c2c(cnc1Cl)NCC2 AB70159 [0,1,0,1,0,0|2,0,0]=4 1018 B11R2.36 c1cc(nc2c1CNC2)Br AB76749 [0,1,0,1,0,0|2,0,0]=4 1019 B11R2.36 c1cc(nc2c1CNC2)Cl PB22510 [0,1,0,1,0,0|2,0,0]=4 1020 B11R2.36 c1cc(nc2c1NCC2)Br AB73732 [0,1,0,1,0,0|2,0,0]=4 1021 B11R2.36 c1cc(nc2c1NCC2)Cl AB71540 [0,1,0,1,0,0|2,0,0]=4 1022 B11R2.36 c1cc(nc2c1NCC2)F AB73742 [0,1,0,1,0,0|2,0,0]=4 1023 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [0,1,0,1,0,0|2,0,0]=4 1024 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [0,1,0,1,0,0|2,0,0]=4 1025 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,1,0,1,0,0|2,0,0]=4 1026 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,1,0,1,0,0|2,0,0]=4 1027 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [0,1,0,1,0,0|2,0,0]=4 1028 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [0,1,0,1,0,0|2,0,0]=4 1029 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [0,1,0,1,0,0|2,0,0]=4 1030 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [0,1,0,1,0,0|2,0,0]=4 1031 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,1,0,1,0,0|1,0,0]=3 1032 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,1,0,1,0,0|1,0,0]=3 1033 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,1,0,1,0,0|1,0,0]=3 1034 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [0,1,0,1,0,0|2,0,0]=4 1035 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,1,0,1,0,0|2,0,0]=4 1036 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,1,0,1,0,0|2,0,0]=4 1037 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [0,1,0,1,0,0|0,0,0]=2 1038 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,1,0,1,0,0|1,0,0]=3 1039 B11R2.20 c1cncc2c1CCNC2 PB10616 [0,1,0,1,0,0|1,0,0]=3 1040 B11R2.20 c1cncc2c1CNCC2 AB48928 [0,1,0,1,0,0|1,0,0]=3 1041 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,1,0,1,0,0|1,0,0]=3 1042 B11R2.20 c1cncc2c1NCCO2 AB66612 [0,1,0,1,0,0|2,0,0]=4 1043 B11R2.20 c1cncc2c1OCCN2 AB43406 [0,1,0,1,0,0|2,0,0]=4 1044 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [0,1,0,1,0,0|0,0,0]=2 1045 B11R2.106 Cc1c2c(ccn1)CNC2 AB76710 [0,1,0,1,0,0|2,0,0]=4 1046 B11R2.106 c1[nH]c(=O)c2c(n1)CCC2 PB13149 [0,1,0,1,0,0|2,0,0]=4 1047 B11R2.106 c1c2c(c(cn1)Br)NCC2 PB18307 [0,1,0,1,0,0|2,0,0]=4 1048 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [0,1,0,1,0,0|2,0,0]=4 1049 B11R2.106 c1cnc(c2c1CCO2)N AB52904 [0,1,0,1,0,0|2,0,0]=4 1050 B11R2.106 c1cnc(c2c1CNC2)Br AB77508 [0,1,0,1,0,0|2,0,0]=4 1051 B11R2.106 c1cnc(c2c1CNC2)Cl AB77507 [0,1,0,1,0,0|2,0,0]=4 1052 B11R2.106 c1cnc(c2c1NCC2)Br AB73026 [0,1,0,1,0,0|2,0,0]=4 1053 B11R2.106 c1cnc(c2c1NCC2)Cl PB31568 [0,1,0,1,0,0|2,0,0]=4 1054 B11R2.106 c1cnc2c(c1Br)CCN2 AB76365 [0,1,0,1,0,0|2,0,0]=4 1055 B11R2.106 c1cnc2c(c1Br)CNC2 AB77102 [0,1,0,1,0,0|2,0,0]=4 1056 B11R2.106 c1cnc2c(c1Cl)CNC2 AB74758 [0,1,0,1,0,0|2,0,0]=4 1057 B11R2.106 c1cnc2c(c1I)CCN2 AB85220 [0,1,0,1,0,0|2,0,0]=4 1058 B11R2.106 c1cnc2c(c1N)CNC2 AB77128 [0,1,0,1,0,0|2,0,0]=4 1059 B11R2.106 c1nc2c(c(n1)Cl)CCC2 PB34729 [0,1,0,1,0,0|2,0,0]=4 1060 B11R2.35 c1c(cncc1Br)C2CC2 MB10375 [0,1,0,1,0,0|1,0,0]=3 1061 B11R2.35 c1c(nc(nn1)Cl)C2CC2 AB85253 [0,1,0,1,0,0|1,0,0]=3 1062 B11R2.35 c1c(ncnc1Br)C2CC2 MB09514 [0,1,0,1,0,0|2,0,0]=4 1063 B11R2.35 c1cc(nc(c1)Br)C2CC2 MB09481 [0,1,0,1,0,0|1,0,0]=3 1064 B11R2.35 c1cnc(nc1Br)C2CC2 MB09509 [0,1,0,1,0,0|2,0,0]=4 1065 B11R2.35 c1cnc(nc1C2CC2)N CB10717 [0,1,0,1,0,0|2,0,0]=4 1066 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,1,0,1,0,0|1,0,1]=4 1067 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,1,0,1,0,0|2,0,0]=4 1068 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,1,0,1,0,0|1,0,1]=4 1069 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,1,0,1,0,0|1,0,0]=3 1070 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,1,0,1,0,0|2,0,0]=4 1071 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,1,0,1,0,0|2,0,0]=4 1072 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,1,0,1,0,0|2,0,0]=4 1073 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,1,0,1,0,0|2,0,0]=4 1074 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,1,0,1,0,0|2,0,0]=4 1075 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,1,0,1,0,0|1,0,0]=3 1076 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [0,1,0,1,0,0|2,0,0]=4 1077 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [0,1,0,1,0,0|1,0,0]=3 1078 B11R2.40 c1cnc(cn1)C2(CC2)N PB16659 [0,1,0,1,0,0|0,0,0]=2 1079 B11R2.40 c1cnc(nc1)C2(CC2)N PB27038 [0,1,0,1,0,0|2,0,0]=4 1080 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,1,0,1,0,0|1,0,0]=3 1081 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,1,0,1,0,0|1,0,0]=3 1082 B7R1.1 C1=NC=NC1CBr AB53027 [1,0,0,0,1,0|1,0,1]=4 1083 B7R1.1 C1=NC=NC1CCl AB09871 [1,0,0,0,1,0|1,0,1]=4 1084 B7R1.1 C1=NC=NC1CCl AB43165 [1,0,0,0,1,0|1,0,1]=4 1085 B7R1.1 C1=NC=NC1CN AB09180 [1,0,0,0,1,0|1,0,1]=4 1086 B7R1.1 C1=NC=NC1CN MB06927 [1,0,0,0,1,0|1,0,1]=4 1087 B7R1.1 C1=NC=NC1CO PB24669 [1,0,0,0,1,0|1,0,1]=4 1088 B7R1.1 C1C=NC(=N1)CN PB21839 [1,0,0,0,1,0|1,0,1]=4 1089 B7R1.1 C1C=NC(=N1)CO AB23143 [1,0,0,0,1,0|1,0,1]=4 1090 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,0,1,0|0,0,1]=3 1091 B7R1.1 CCC1=NN=CC1 AB65715 [1,0,0,0,1,0|1,0,1]=4 1092 B7R1.1 CCn1cncn1 AB31524 [1,0,0,0,1,0|1,0,0]=3 1093 B7R1.1 COc1nccs1 AB09330 [1,0,0,0,1,0|2,0,0]=4 1094 B7R1.1 CSC1=NC=NC1 CB10764 [1,0,0,0,1,0|1,0,1]=4 1095 B7R1.1 c1[nH]nc(n1)CN AB25050 [1,0,0,0,1,0|2,0,0]=4 1096 B7R1.1 c1c(con1)CN AB28201 [1,0,0,0,1,0|2,0,0]=4 1097 B7R1.1 c1c(con1)CN PB34298 [1,0,0,0,1,0|2,0,0]=4 1098 B7R1.1 c1c(con1)CO PB14463 [1,0,0,0,1,0|2,0,0]=4 1099 B7R1.1 c1c(csn1)CCl AB74096 [1,0,0,0,1,0|2,0,0]=4 1100 B7R1.1 c1c(csn1)CN AB62615 [1,0,0,0,1,0|2,0,0]=4 1101 B7R1.1 c1c(nco1)CCl AB71585 [1,0,0,0,1,0|2,0,0]=4 1102 B7R1.1 c1c(nco1)CN PB29323 [1,0,0,0,1,0|2,0,0]=4 1103 B7R1.1 c1c(nco1)CO PB29559 [1,0,0,0,1,0|2,0,0]=4 1104 B7R1.1 c1c(ncs1)CCl AB10919 [1,0,0,0,1,0|2,0,0]=4 1105 B7R1.1 c1c(ncs1)CN AB27866 [1,0,0,0,1,0|2,0,0]=4 1106 B7R1.1 c1c(ncs1)CN PB21996 [1,0,0,0,1,0|2,0,0]=4 1107 B7R1.1 c1c(ncs1)CO AB20478 [1,0,0,0,1,0|2,0,0]=4 1108 B7R1.1 c1c(ocn1)CCl AB42450 [1,0,0,0,1,0|2,0,0]=4 1109 B7R1.1 c1c(ocn1)CN AB30442 [1,0,0,0,1,0|2,0,0]=4 1110 B7R1.1 c1c(ocn1)CO PB32681 [1,0,0,0,1,0|2,0,0]=4 1111 B7R1.1 c1c(scn1)CCl AB64977 [1,0,0,0,1,0|2,0,0]=4 1112 B7R1.1 c1c(scn1)CN AB27929 [1,0,0,0,1,0|2,0,0]=4 1113 B7R1.1 c1c(scn1)CN PB32316 [1,0,0,0,1,0|2,0,0]=4 1114 B7R1.1 c1c(scn1)CO AB20492 [1,0,0,0,1,0|2,0,0]=4 1115 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,0,1,0|2,0,0]=4 1116 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,0,1,0|2,0,0]=4 1117 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,0,1,0|2,0,0]=4 1118 B7R1.1 c1cnoc1CN AB27950 [1,0,0,0,1,0|2,0,0]=4 1119 B7R1.1 c1cnoc1CN AB27954 [1,0,0,0,1,0|2,0,0]=4 1120 B7R1.1 c1cnoc1CO AB28102 [1,0,0,0,1,0|2,0,0]=4 1121 B7R1.1 c1cnsc1CCl AB70841 [1,0,0,0,1,0|2,0,0]=4 1122 B7R1.1 c1cnsc1CN AB70840 [1,0,0,0,1,0|2,0,0]=4 1123 B7R1.1 c1coc(n1)CCl AB19278 [1,0,0,0,1,0|2,0,0]=4 1124 B7R1.1 c1coc(n1)CN AB19275 [1,0,0,0,1,0|2,0,0]=4 1125 B7R1.1 c1coc(n1)CN AB28202 [1,0,0,0,1,0|2,0,0]=4 1126 B7R1.1 c1coc(n1)CO PB27948 [1,0,0,0,1,0|2,0,0]=4 1127 B7R1.1 c1conc1CCl MB04274 [1,0,0,0,1,0|2,0,0]=4 1128 B7R1.1 c1conc1CN PB24935 [1,0,0,0,1,0|2,0,0]=4 1129 B7R1.1 c1conc1CO PB15902 [1,0,0,0,1,0|2,0,0]=4 1130 B7R1.1 c1csc(n1)CCl AB42463 [1,0,0,0,1,0|2,0,0]=4 1131 B7R1.1 c1csc(n1)CN MB03193 [1,0,0,0,1,0|2,0,0]=4 1132 B7R1.1 c1csc(n1)CN PB20005 [1,0,0,0,1,0|2,0,0]=4 1133 B7R1.1 c1cscc1CN AB13999 [1,0,0,0,1,0|2,0,0]=4 1134 B7R1.1 c1cscc1CN PB12237 [1,0,0,0,1,0|2,0,0]=4 1135 B7R1.1 c1cscc1CO PB10036 [1,0,0,0,1,0|2,0,0]=4 1136 B7R1.1 c1csnc1CN PB23687 [1,0,0,0,1,0|2,0,0]=4