0 B10R1.4 CCCc1cncnc1Cl AB55649 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.4 CCOc1c(cccn1)Br AB05207 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.4 CCOc1c(cccn1)I AB05213 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.4 CCOc1ccncc1Br MB01009 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.4 CNCc1c(cccn1)F PB12566 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.4 CNCc1cccnc1Cl AB53845 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.4 CNCc1cnccc1Br AB67968 [0,0,0,0,0,0|3,1,0]=4 7 B10R1.4 CNCc1cnccc1Cl AB67984 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.4 CNCc1cnccc1F AB68060 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.4 Cc1ccccc1CC=O AB11813 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.4 Cc1cccnc1CCN AB31462 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.4 Cc1ccncc1CCN AB55157 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.4 Cc1ccncc1CNC AB67828 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,0,0,0,0,0|1,1,0]=2 16 B10R1.4 c1cc(c(nc1)CC#N)Br PB13243 [0,0,0,0,0,0|1,1,2]=4 17 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,0,0,0,0,0|1,1,0]=2 18 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,0,0,0,0,0|1,1,0]=2 19 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,0,0,0,0,0|2,1,0]=3 20 B10R1.4 c1cc(c(nc1)Cl)CC#N PB13101 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [0,0,0,0,0,0|0,1,2]=3 23 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [0,0,0,0,0,0|0,1,2]=3 24 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [0,0,0,0,0,0|1,0,0]=1 25 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [0,0,0,0,0,0|1,1,0]=2 27 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [0,0,0,0,0,0|1,1,0]=2 29 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.4 c1cnc(c(n1)CC#N)Cl PB11137 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.4 c1cncc(c1Br)CC#N AB74620 [0,0,0,0,0,0|1,1,2]=4 32 B10R1.4 c1cncc(c1Br)CCN AB45481 [0,0,0,0,0,0|1,1,0]=2 33 B10R1.4 c1cncc(c1Cl)CCN AB68002 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.4 c1cncc(c1F)CCN AB55177 [0,0,0,0,0,0|1,1,0]=2 35 B10R1.4 c1cncc(c1N=C=O)Cl AB74203 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 c1c(cncn1)CNN PB19654 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 c1cc(nnc1)CNN PB37174 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 c1cnc(cn1)CNN PB20222 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 c1cnc(nc1)CNN PB21406 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 c1cncnc1CCN PB14818 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 c1cnncc1CCN AB62610 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 c1cnncc1CNN PB35490 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.15 C#Cc1ccccc1Br AB10375 [1,0,0,0,0,0|0,1,2]=4 64 B9R1.15 C#Cc1cccnc1Cl AB69069 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.15 C#Cc1ccncc1Cl AB69087 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.15 C#Cc1cnccc1Cl AB69058 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.15 CCc1c(cccn1)Br AB68544 [1,0,0,0,0,0|1,1,0]=3 68 B9R1.15 CCc1c(cccn1)O MB01433 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.15 CCc1c(cncn1)F PB21906 [1,0,0,0,0,0|2,1,0]=4 70 B9R1.15 CCc1ccncc1O MB12325 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.15 CCc1cnccc1Br PB37149 [1,0,0,0,0,0|1,1,0]=3 72 B9R1.15 CCc1cnccc1O MB24095 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.15 CCc1cncnc1Cl AB62552 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.15 CNc1c(nccn1)Cl MB13992 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 CNc1cccnc1Br AB39252 [1,0,0,0,0,0|2,1,0]=4 76 B9R1.15 CNc1ccncc1O MB27525 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 CNc1cnccc1O MB29366 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.15 CNc1cncnc1Cl AB65907 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.15 COc1c(cccn1)Br PB20024 [1,0,0,0,0,0|2,1,0]=4 80 B9R1.15 COc1c(cccn1)Cl AB13603 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.15 COc1c(cccn1)F AB13397 [1,0,0,0,0,0|2,1,0]=4 82 B9R1.15 COc1c(cccn1)I AB13400 [1,0,0,0,0,0|2,1,0]=4 83 B9R1.15 COc1c(cccn1)N AB07386 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.15 COc1c(cccn1)O AB06074 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.15 COc1c(nccn1)Cl MB02506 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 COc1cccnc1Br PB29151 [1,0,0,0,0,0|2,1,0]=4 87 B9R1.15 COc1cccnc1Cl AB14749 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.15 COc1cccnc1I AB05182 [1,0,0,0,0,0|2,1,0]=4 89 B9R1.15 COc1cccnc1N AB40614 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 COc1cccnc1O AB43293 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.15 COc1ccncc1Br AB22230 [1,0,0,0,0,0|2,1,0]=4 92 B9R1.15 COc1ccncc1Cl AB51203 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.15 COc1ccncc1F AB66775 [1,0,0,0,0,0|2,1,0]=4 94 B9R1.15 COc1ccncc1I AB09106 [1,0,0,0,0,0|2,1,0]=4 95 B9R1.15 COc1ccncc1N AB40817 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.15 COc1ccncc1O MB09117 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.15 COc1cnccc1Br AB43705 [1,0,0,0,0,0|2,1,0]=4 98 B9R1.15 COc1cnccc1Br MB09674 [1,0,0,0,0,0|2,1,0]=4 99 B9R1.15 COc1cnccc1Cl AB66368 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.15 COc1cnccc1F AB66590 [1,0,0,0,0,0|2,1,0]=4 101 B9R1.15 COc1cnccc1N AB55709 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.15 COc1cnccc1O MB25455 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 CSc1c(cccn1)O MB01598 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 CSc1cccnc1Br MB13966 [1,0,0,0,0,0|2,1,0]=4 105 B9R1.15 CSc1ccncc1O MB25632 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 CSc1cnccc1O MB31499 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 Cc1c(cccn1)CN AB14093 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.15 Cc1c(cccn1)CO AB01512 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.15 Cc1c(cccn1)OC AB03569 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.15 Cc1c(nccn1)CN PB38635 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.15 Cc1cccnc1CCl PB32645 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 Cc1cccnc1CN AB20671 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.15 Cc1cccnc1CO AB12590 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.15 Cc1cccnc1OC AB31414 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.15 Cc1ccncc1CCl PB22427 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.15 Cc1ccncc1CN PB14440 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.15 Cc1ccncc1CO PB21746 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.15 Cc1ccnnc1CN PB36913 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.15 Cc1cnccc1CCl PB24122 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.15 Cc1cnccc1CN AB17090 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.15 Cc1cnccc1CO PB32359 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.15 Cc1cnncc1CN PB36093 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [1,0,0,0,0,0|2,1,0]=4 127 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [1,0,0,0,0,0|2,1,0]=4 128 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [1,0,0,0,0,0|1,1,0]=3 129 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,0,0,0,0,0|2,1,0]=4 130 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [1,0,0,0,0,0|1,0,2]=4 131 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,0,0,0,0,0|2,1,0]=4 132 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,0,0,0,0,0|2,1,0]=4 133 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,0,0,0,0,0|2,1,0]=4 135 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,0,0,0,0,0|1,1,0]=3 137 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,0,0,0,0,0|1,0,0]=2 138 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,0,0,0,0,0|1,1,0]=3 139 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,0,0,0,0,0|1,1,0]=3 140 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,0,0,0,0,0|2,1,0]=4 144 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.15 c1cc(c(nc1)Cl)C#N AB01170 [1,0,0,0,0,0|1,0,2]=4 147 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [1,0,0,0,0,0|2,0,1]=4 148 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [1,0,0,0,0,0|2,1,0]=4 151 B9R1.15 c1cc(c(nc1)F)CN AB23466 [1,0,0,0,0,0|1,1,0]=3 152 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [1,0,0,0,0,0|2,1,0]=4 155 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,0,0,0,0,0|1,1,1]=4 158 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,0,0,0,0,0|1,0,0]=2 160 B9R1.15 c1cn[nH]c(=O)c1CN PB11396 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.15 c1cnc(c(n1)CN)N AB53146 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.15 c1cnc(c(n1)NN)Cl PB16012 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.15 c1cncc(c1Br)CCl AB67965 [1,0,0,0,0,0|2,1,0]=4 167 B9R1.15 c1cncc(c1Br)CN AB67954 [1,0,0,0,0,0|1,1,0]=3 168 B9R1.15 c1cncc(c1C#N)Cl AB21895 [1,0,0,0,0,0|1,0,2]=4 169 B9R1.15 c1cncc(c1C=O)Cl AB23043 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.15 c1cncc(c1CCl)Br AB67648 [1,0,0,0,0,0|2,1,0]=4 171 B9R1.15 c1cncc(c1CCl)Cl AB67608 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.15 c1cncc(c1CCl)F AB67665 [1,0,0,0,0,0|2,1,0]=4 173 B9R1.15 c1cncc(c1CN)Br AB63141 [1,0,0,0,0,0|1,1,0]=3 174 B9R1.15 c1cncc(c1CN)Cl AB63139 [1,0,0,0,0,0|1,0,0]=2 175 B9R1.15 c1cncc(c1CN)F AB63136 [1,0,0,0,0,0|1,1,0]=3 176 B9R1.15 c1cncc(c1CN)N AB49287 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.15 c1cncc(c1CN)O MB09249 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.15 c1cncc(c1CO)Br PB19192 [1,0,0,0,0,0|2,1,0]=4 179 B9R1.15 c1cncc(c1CO)F PB29849 [1,0,0,0,0,0|2,1,0]=4 180 B9R1.15 c1cncc(c1CO)N AB25787 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.15 c1cncc(c1Cl)C#N AB43637 [1,0,0,0,0,0|1,0,2]=4 182 B9R1.15 c1cncc(c1Cl)C=O AB17590 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.15 c1cncc(c1Cl)CCl AB60091 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.15 c1cncc(c1Cl)CN AB49675 [1,0,0,0,0,0|1,0,0]=2 185 B9R1.15 c1cncc(c1F)CCl AB68054 [1,0,0,0,0,0|2,1,0]=4 186 B9R1.15 c1cncc(c1F)CN AB68023 [1,0,0,0,0,0|1,1,0]=3 187 B9R1.15 c1cncc(c1N)CCl AB31893 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.15 c1cncc(c1N)CO PB14435 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.15 c1cncc(c1O)CN MB35531 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.15 c1nc(c(nn1)CN)Cl AB85242 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.13 C=CCc1cccc(c1O)N MB13698 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.13 Cc1c(c(ccn1)CCN)Cl AB83309 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.13 Cc1c(ccnc1Cl)CCN AB83367 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.13 Cc1c(ccnc1F)CCN AB82857 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.13 Cc1c(cncc1Cl)CCN AB83292 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.13 Cc1c(nccc1CCN)C AB82525 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.13 Cc1cncc(c1C)CCN AB82560 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.13 Cc1cncc(c1Cl)CCN AB83272 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.13 Cc1cncc(c1F)CCN AB82944 [0,1,0,0,0,0|1,1,0]=3 204 B11R1.13 c1c(c(c(cn1)Cl)F)CCN AB82977 [0,1,0,0,0,0|1,1,0]=3 205 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.13 c1c(c(c(cn1)F)Cl)CCN AB83150 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.13 c1c(c(c(cn1)O)Cl)CCN AB84001 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.13 c1cnc(c(c1CCN)Cl)F AB83163 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.13 c1cnc(c(c1CCN)Cl)N AB83940 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.13 c1cnc(c(c1CCN)F)Cl AB83223 [0,1,0,0,0,0|1,1,0]=3 211 B11R1.13 c1cnc(c(c1CCN)N)Cl AB83978 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.13 c1cnc(c(c1CCN)O)Cl AB84113 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.13 c1cnc(c(c1Cl)F)CCN AB83139 [0,1,0,0,0,0|1,1,0]=3 214 B11R1.13 c1cnc(c(c1Cl)N)CCN AB83872 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.13 c1cnc(c(c1F)Cl)CCN AB83008 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.13 c1cnc(c(c1N)Cl)CCN AB83929 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.13 c1cnc(c(c1O)Cl)CCN AB84057 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.17 Cc1ccccc1CCC=O AB42260 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.17 Cc1ccccc1CCCN AB38679 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.17 Cc1ccncc1CCCN AB67853 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.17 c1cc(c(nc1)Br)CCCN AB55123 [0,1,0,0,0,0|1,1,0]=3 224 B11R1.17 c1cc(c(nc1)Cl)CCCN AB55105 [0,1,0,0,0,0|1,0,0]=2 225 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [0,1,0,0,0,0|1,1,0]=3 226 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [0,1,0,0,0,0|1,1,0]=3 228 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [0,1,0,0,0,0|0,1,0]=2 229 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [0,1,0,0,0,0|0,0,0]=1 230 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [0,1,0,0,0,0|0,1,0]=2 231 B11R1.17 c1cncc(c1Cl)CCCN AB68003 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.17 c1cncc(c1F)CCCN AB68073 [0,1,0,0,0,0|1,1,0]=3 233 B11R1.41 CCCc1c(cccn1)C#N AB28607 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.41 CCCc1ccccc1NN AB27885 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.41 COc1c(cccn1)CCN AB45444 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.41 COc1ccccc1CC=O AB02842 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.41 COc1ccccc1CNN PB34218 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.41 COc1ccncc1CCN AB45493 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.41 COc1cnccc1CCN AB67567 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.41 c1cncc(c1C#N)CCN AB68138 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.81 Cc1c(ccc(n1)Cl)CCN AB85389 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.81 Cc1cc(c(cn1)CCN)Cl AB83329 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.81 Cc1cc(c(cn1)CCN)F AB83049 [0,1,0,0,0,0|1,1,0]=3 245 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [0,1,0,0,0,0|1,1,0]=3 248 B11R1.81 Cc1cc(cnc1CCN)Cl AB83241 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.81 Cc1cc(cnc1CCN)F AB82903 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.81 Cc1cc(ncc1CCN)C AB82577 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.81 Cc1cc(ncc1CCN)Cl AB83351 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.81 Cc1cc(ncc1CCN)F AB83069 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.81 c1c(c(cnc1F)CCN)Cl AB83191 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.81 c1c(cnc(c1Cl)CCN)F AB83122 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.81 c1c(cnc(c1F)CCN)Cl AB83116 [0,1,0,0,0,0|1,1,0]=3 256 B11R1.81 c1cc(c(cc1Cl)Cl)CNN PB13051 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.81 c1cc(c(cc1F)Cl)CNN PB17475 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.81 c1cc(c(cc1N)Cl)CC#N AB44259 [0,1,0,0,0,0|0,0,2]=3 259 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,1,0,0,0,0|0,1,0]=2 260 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,1,0,0,0,0|0,0,0]=1 261 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,1,0,0,0,0|2,1,0]=4 262 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,1,0,0,0,0|0,0,1]=2 266 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,1,0,0,0,0|1,1,1]=4 267 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,1,0,0,0,0|1,1,1]=4 270 B11R1.182 CCOc1cc(ccc1N)F AB20299 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.182 Cc1cc(c(cn1)C)CCN AB82532 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.182 Cc1cc(c(nc1)Cl)CCN AB83239 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.182 Cc1cc(c(nc1)F)CCN AB55183 [0,1,0,0,0,0|1,1,0]=3 275 B11R1.182 Cc1ccc(nc1CCN)C AB65479 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.182 Cc1ccc(nc1CCN)Cl AB83233 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.182 Cc1ccc(nc1CCN)F AB82893 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.182 Cc1cnc(cc1CCN)Cl AB83226 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.182 Cc1cnc(cc1CCN)F AB82871 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.182 c1c(c(cnc1Cl)F)CCN AB83094 [0,1,0,0,0,0|1,1,0]=3 281 B11R1.182 c1c(c(nnc1Cl)Cl)CCN AB72248 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.182 c1c(cnc(c1CCN)Cl)F AB83111 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.182 c1cc(nc(c1F)CCN)Cl AB83105 [0,1,0,0,0,0|1,1,0]=3 284 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,0|1,1,1]=4 285 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [0,1,0,0,0,0|0,0,3]=4 289 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,1,0,0,0,0|1,0,2]=4 290 B11R1.222 c1ccc(c(c1)\C(=N\O)\Cl)Cl AB10513 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.605 Cc1c(c(ccn1)Cl)CCN AB83338 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.605 Cc1c(c(ccn1)F)CCN AB83021 [0,1,0,0,0,0|1,1,0]=3 293 B11R1.605 Cc1ccnc(c1CCN)C AB82522 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.605 Cc1ccnc(c1CCN)Cl AB83345 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.605 Cc1ccnc(c1CCN)F AB83058 [0,1,0,0,0,0|1,1,0]=3 296 B11R1.605 Cc1cncc(c1CCN)C AB76699 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.605 Cc1cncc(c1CCN)Cl AB83254 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.605 Cc1cncc(c1CCN)F AB82916 [0,1,0,0,0,0|1,1,0]=3 299 B11R1.605 c1c(c(c(cn1)Cl)CCN)F AB83129 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.605 c1cc(c(c(c1)Br)CC#N)F MB09725 [0,1,0,0,0,0|0,1,2]=4 301 B11R1.605 c1cnc(c(c1Cl)CCN)F AB83206 [0,1,0,0,0,0|1,0,0]=2 302 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,0,0,1,0,0|2,0,1]=4 303 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,0,0,1,0,0|2,0,0]=3 304 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,0,0,1,0,0|1,0,0]=2 305 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,0,0,1,0,0|2,0,0]=3 306 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [0,0,0,1,0,0|3,0,0]=4 307 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [0,0,0,1,0,0|3,0,0]=4 308 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [0,0,0,1,0,0|3,0,0]=4 309 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [0,0,0,1,0,0|3,0,0]=4 310 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,0,0,1,0,0|3,0,0]=4 311 B11R2.20 c1cc2c(nc1)CCNC2 AB27765 [0,0,0,1,0,0|2,0,0]=3 312 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,0,0,1,0,0|2,0,0]=3 313 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,0,0,1,0,0|1,0,1]=3 314 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,0,0,1,0,0|3,0,0]=4 315 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [0,0,0,1,0,0|3,0,0]=4 316 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,0,0,1,0,0|3,0,0]=4 317 B11R2.20 c1cncc2c1CCNC2 PB10616 [0,0,0,1,0,0|2,0,0]=3 318 B11R2.20 c1cncc2c1CNCC2 AB48928 [0,0,0,1,0,0|2,0,0]=3 319 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,0,0,1,0,0|3,0,0]=4 320 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [0,0,0,1,0,0|1,0,0]=2 321 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [0,0,0,1,0,0|3,0,0]=4 322 B11R2.106 Cc1cccc2c1CCN2 MB06155 [0,0,0,1,0,0|1,0,0]=2 323 B11R2.106 Cc1cccc2c1CNC2 MB06843 [0,0,0,1,0,0|3,0,0]=4 324 B11R2.106 Cc1cccc2c1NCC2 MB04566 [0,0,0,1,0,0|3,0,0]=4 325 B11R2.106 c1c2=CCN=c2c(cn1)Cl PB13266 [0,0,0,1,0,0|3,0,0]=4 326 B11R2.106 c1c2=NCC=c2c(cn1)Cl PB15239 [0,0,0,1,0,0|1,0,2]=4 327 B11R2.106 c1cc(c2c(c1)N=NC2)N PB23340 [0,0,0,1,0,0|2,0,1]=4 328 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [0,0,0,1,0,0|1,0,0]=2 329 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [0,0,0,1,0,0|2,0,0]=3 330 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [0,0,0,1,0,0|1,1,0]=3 331 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [0,0,0,1,0,0|2,1,0]=4 332 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [0,0,0,1,0,0|0,0,0]=1 333 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [0,0,0,1,0,0|2,0,0]=3 334 B11R2.106 c1cc2c(c(c1)Cl)ncs2 MB09046 [0,0,0,1,0,0|2,0,1]=4 335 B11R2.106 c1cc2c(c(c1)Cl)ocn2 MB20023 [0,0,0,1,0,0|1,0,2]=4 336 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [0,0,0,1,0,0|2,1,0]=4 337 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [0,0,0,1,0,0|2,1,0]=4 338 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [0,0,0,1,0,0|3,0,0]=4 339 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [0,0,0,1,0,0|3,0,0]=4 340 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [0,0,0,1,0,0|3,0,0]=4 341 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [0,0,0,1,0,0|1,0,0]=2 342 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [0,0,0,1,0,0|3,0,0]=4 343 B11R2.106 c1cc2n(c(=O)c1)CCN2 MB08872 [0,0,0,1,0,0|2,0,0]=3 344 B11R2.106 c1cnc(c2=NCC=c21)Cl PB26100 [0,0,0,1,0,0|3,0,0]=4 345 B11R2.106 c1cnc(c2c1CNC2)Cl AB77507 [0,0,0,1,0,0|3,0,0]=4 346 B11R2.106 c1cnc(c2c1NCC2)Br AB73026 [0,0,0,1,0,0|1,1,0]=3 347 B11R2.106 c1cnc(c2c1NCC2)Cl PB31568 [0,0,0,1,0,0|1,0,0]=2 348 B11R2.106 c1cnc2=CCN=c2c1Cl PB14564 [0,0,0,1,0,0|3,0,0]=4 349 B11R2.106 c1cnc2=NCC=c2c1Cl PB29499 [0,0,0,1,0,0|1,0,2]=4 350 B11R2.106 c1cnc2c(c1Br)CCN2 AB76365 [0,0,0,1,0,0|1,1,0]=3 351 B11R2.106 c1cnc2c(c1Cl)CNC2 AB74758 [0,0,0,1,0,0|3,0,0]=4 352 B11R2.106 c1cnc2c(c1I)CCN2 AB85220 [0,0,0,1,0,0|1,1,0]=3 353 B11R2.106 c1nc2c(c(n1)Cl)CCC2 PB34729 [0,0,0,1,0,0|3,0,0]=4 354 B9R1.33 Cc1c(scn1)CCN AB43197 [0,0,0,0,1,0|3,0,0]=4 355 B9R1.33 Cn1ccnc1CCN AB26757 [0,0,0,0,1,0|3,0,0]=4 356 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 c1c(cncn1)CN PB26277 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|1,0,0]=3 361 B8R1.2 c1cc(cnc1)NN AB42924 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.2 c1cc(cnc1)NN PB18886 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.2 c1cc(nnc1)CN PB29341 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|1,0,0]=3 367 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.2 c1cnc(nc1)CN CB11589 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.2 c1cnc(nc1)CN PB23443 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|1,0,0]=3 372 B8R1.2 c1cnccc1NN PB27392 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.2 c1cncnc1CN PB10439 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.2 c1cnncc1CN PB31361 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.5 Cc1c(cccn1)Br PB27472 [2,0,0,0,0,0|1,1,0]=4 377 B8R1.5 Cc1c(cccn1)Cl AB17903 [2,0,0,0,0,0|1,0,0]=3 378 B8R1.5 Cc1c(cccn1)F AB48604 [2,0,0,0,0,0|1,1,0]=4 379 B8R1.5 Cc1c(cccn1)N PB33695 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.5 Cc1c(cccn1)O PB18442 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.5 Cc1c(nccn1)Cl PB18413 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.5 Cc1cccnc1Br AB05448 [2,0,0,0,0,0|1,1,0]=4 383 B8R1.5 Cc1cccnc1Cl AB05179 [2,0,0,0,0,0|1,0,0]=3 384 B8R1.5 Cc1cccnc1N AB17908 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.5 Cc1cccnc1O AB03538 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.5 Cc1ccncc1Br AB03104 [2,0,0,0,0,0|1,1,0]=4 387 B8R1.5 Cc1ccncc1Cl AB18019 [2,0,0,0,0,0|1,0,0]=3 388 B8R1.5 Cc1ccncc1F AB18002 [2,0,0,0,0,0|1,1,0]=4 389 B8R1.5 Cc1ccncc1N PB14127 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.5 Cc1ccncc1O PB23391 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.5 Cc1ccnnc1Cl PB34304 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.5 Cc1cnccc1Br AB20846 [2,0,0,0,0,0|1,1,0]=4 393 B8R1.5 Cc1cnccc1Br PB23248 [2,0,0,0,0,0|1,1,0]=4 394 B8R1.5 Cc1cnccc1Cl AB11511 [2,0,0,0,0,0|1,0,0]=3 395 B8R1.5 Cc1cnccc1F AB18013 [2,0,0,0,0,0|1,1,0]=4 396 B8R1.5 Cc1cnccc1N PB17234 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.5 Cc1cncnc1Cl AB44072 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.5 c1cc(c(nc1)Br)N AB17900 [2,0,0,0,0,0|1,1,0]=4 400 B8R1.5 c1cc(c(nc1)Br)N PB26005 [2,0,0,0,0,0|1,1,0]=4 401 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [2,0,0,0,0,0|1,0,0]=3 406 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.5 c1cc(c(nc1)F)N AB17917 [2,0,0,0,0,0|1,1,0]=4 408 B8R1.5 c1cc(c(nc1)N)Br PB20016 [2,0,0,0,0,0|1,1,0]=4 409 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [2,0,0,0,0,0|1,0,0]=3 410 B8R1.5 c1cc(c(nc1)N)F AB17912 [2,0,0,0,0,0|1,1,0]=4 411 B8R1.5 c1cc(c(nc1)N)I PB12756 [2,0,0,0,0,0|1,1,0]=4 412 B8R1.5 c1cc(c(nc1)N)O AB00700 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.5 c1cc(c(nc1)N)O AB17906 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.5 c1cc(c(nc1)N)S AB64540 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.5 c1cc(c(nc1)O)N PB30752 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.5 c1cncc(c1Br)Cl AB17643 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.5 c1cncc(c1Br)N AB17638 [2,0,0,0,0,0|1,1,0]=4 419 B8R1.5 c1cncc(c1Cl)Br AB05074 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.5 c1cncc(c1Cl)Cl AB10192 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.5 c1cncc(c1Cl)F AB15511 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.5 c1cncc(c1Cl)I AB05089 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.5 c1cncc(c1Cl)N AB05299 [2,0,0,0,0,0|1,0,0]=3 424 B8R1.5 c1cncc(c1Cl)O AB12281 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.5 c1cncc(c1F)Cl AB21349 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.5 c1cncc(c1F)N AB50028 [2,0,0,0,0,0|1,1,0]=4 427 B8R1.5 c1cncc(c1I)N PB23406 [2,0,0,0,0,0|1,1,0]=4 428 B8R1.5 c1cncc(c1N)Br AB28611 [2,0,0,0,0,0|1,1,0]=4 429 B8R1.5 c1cncc(c1N)Cl AB16891 [2,0,0,0,0,0|1,0,0]=3 430 B8R1.5 c1cncc(c1N)F PB33879 [2,0,0,0,0,0|1,1,0]=4 431 B8R1.5 c1cncc(c1N)I AB12095 [2,0,0,0,0,0|1,1,0]=4 432 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.1 C#CCc1ccc(cc1)F AB61384 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.1 C#CCc1ccc(cc1)I AB73225 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.1 Cc1ccc(nc1)CCN AB31467 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.1 Cc1cnc(cn1)CCN AB69468 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.1 Cc1cnc(nc1)CCN AB59260 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.1 Cc1ncc(cn1)CCN AB59372 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.1 c1cc(ccc1CC#N)F AB00175 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|0,0,0]=2 454 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|0,0,0]=2 455 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|0,0,0]=2 456 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.1 c1cc(ccc1CNN)Br PB32548 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.1 c1cc(ccc1CNN)F PB20964 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.1 c1cc(ncc1Br)CCN PB20258 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.1 c1cc(ncc1F)CCN AB45484 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.1 c1cc(ncc1N)CCN AB67762 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.1 c1cc(ncc1O)CCN AB67805 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.10 Cc1cc(ccn1)CCN AB55165 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.10 Cc1cc(ncn1)CCN AB64311 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.10 Cc1cccc(n1)CCN AB17067 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.10 Cc1ccnc(n1)CCN AB59280 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.10 c1c(cncc1Br)CNN PB37854 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.10 c1c(cncc1F)CCN AB55166 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.10 c1c(cncc1N)CCN AB67760 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,1,0,0,0,0|0,0,2]=4 490 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|0,0,0]=2 492 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|0,0,0]=2 495 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,1,0,0,0,0|0,0,2]=4 499 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|0,0,0]=2 500 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|0,0,2]=4 501 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.10 c1cnc(cc1Br)CCN AB55853 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.10 c1cnc(cc1CCBr)F AB72866 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.10 c1cnc(cc1CCN)Br AB45468 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.10 c1cnc(cc1CCN)F AB55184 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.10 c1cnc(cc1F)CCN AB55195 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.10 c1cnc(nc1N)CCN AB59298 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.10 c1cnc(nc1O)CCN AB59283 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|0,0,0]=2 519 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|0,0,0]=2 520 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.17 CNCCc1cccnc1 AB10676 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.17 CNCCc1ccncc1 AB02055 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|0,0,0]=2 530 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.17 c1cnc(nc1)NCCN AB49586 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.17 c1cnccc1CCC=O AB49299 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.17 c1cnccc1CCCN AB43583 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.18 CC(Cc1ccccn1)N AB12969 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.18 CC(Cc1cccnc1)N AB23775 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.18 CC(Cc1ccncc1)N AB28531 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.18 CC(Cc1cnccn1)N AB28467 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,1,0,0,0,0|0,0,0]=2 543 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,1,0,0,0,0|0,0,0]=2 544 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,1,0,0,0,0|0,0,1]=3 545 B10R1.2 CCc1c(c(ncn1)Cl)Cl AB63593 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.2 CCc1c(c(ncn1)N)Cl AB54958 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.2 CCc1c(c(ncn1)O)Cl AB63595 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.2 CCc1cccc(c1Br)O MB24080 [1,1,0,0,0,0|0,1,0]=3 549 B10R1.2 CCc1cccc(c1C)O MB24030 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.2 CCc1cccc(c1Cl)O MB24081 [1,1,0,0,0,0|0,0,0]=2 551 B10R1.2 CCc1cccc(c1F)O MB24054 [1,1,0,0,0,0|0,1,0]=3 552 B10R1.2 CCc1cccc(c1I)O MB24055 [1,1,0,0,0,0|0,1,0]=3 553 B10R1.2 CCc1cccc(c1N)O MB24059 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.2 CCc1cccc(c1O)Br MB02008 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.2 CCc1cccc(c1O)Cl MB02005 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.2 CCc1cccc(c1O)F MB24014 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.2 CCc1cccc(c1O)I MB24016 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.2 CCc1cccc(c1O)N MB24022 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.2 CNc1cccc(c1Br)O MB28270 [1,1,0,0,0,0|1,1,0]=4 560 B10R1.2 CNc1cccc(c1Cl)O MB26964 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.2 CNc1cccc(c1F)O MB34647 [1,1,0,0,0,0|1,1,0]=4 562 B10R1.2 CNc1cccc(c1I)O MB29498 [1,1,0,0,0,0|1,1,0]=4 563 B10R1.2 CNc1cccc(c1N)O MB33054 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.2 CNc1cccc(c1O)Br MB26263 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.2 CNc1cccc(c1O)Cl MB33654 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.2 CNc1cccc(c1O)F MB28274 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.2 CNc1cccc(c1O)I MB32214 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.2 CNc1cccc(c1O)N MB33525 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.2 COc1cccc(c1Br)O MB06929 [1,1,0,0,0,0|1,1,0]=4 572 B10R1.2 COc1cccc(c1Cl)N PB11874 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.2 COc1cccc(c1Cl)O MB06074 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.2 COc1cccc(c1F)O MB09318 [1,1,0,0,0,0|1,1,0]=4 575 B10R1.2 COc1cccc(c1I)O MB14766 [1,1,0,0,0,0|1,1,0]=4 576 B10R1.2 COc1cccc(c1N)O MB12204 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.2 COc1cccc(c1O)Br PB18847 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.2 COc1cccc(c1O)Cl MB25402 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.2 COc1cccc(c1O)I MB09225 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.2 COc1cccc(c1O)N MB25613 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.2 COc1ccnc(c1Cl)N AB70635 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.2 COc1ccnc(c1Cl)O AB71172 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.2 COc1cncc(c1Cl)N AB64859 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.2 COc1cncc(c1Cl)O AB75741 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.2 CSc1cccc(c1Br)O MB26789 [1,1,0,0,0,0|1,1,0]=4 586 B10R1.2 CSc1cccc(c1Cl)O MB33312 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.2 CSc1cccc(c1F)O MB25404 [1,1,0,0,0,0|1,1,0]=4 588 B10R1.2 CSc1cccc(c1I)O MB31760 [1,1,0,0,0,0|1,1,0]=4 589 B10R1.2 CSc1cccc(c1N)O MB32351 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.2 CSc1cccc(c1O)Cl MB27718 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.2 CSc1cccc(c1O)F MB25614 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.2 CSc1cccc(c1O)I MB28360 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.2 CSc1cccc(c1O)N MB28757 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.2 Cc1c(c(ccn1)CCl)Cl AB71122 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.2 Cc1c(c(ccn1)CN)Cl AB75137 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.2 Cc1c(cccc1O)NC MB37053 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.2 Cc1c(cccc1OC)O MB09432 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.2 Cc1c(cccc1SC)O MB35924 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.2 Cc1c(ccnc1CN)F AB82928 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.2 Cc1c(ccnc1Cl)CN AB72647 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.2 Cc1c(ccnc1F)CN AB82854 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.2 Cc1c(cncc1Cl)CN AB83289 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.2 Cc1c(nccc1CN)C AB75354 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.2 Cc1cccc(c1N)CN MB08906 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.2 Cc1cccc(c1N)OC AB02877 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.2 Cc1cccc(c1O)CN MB05058 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.2 Cc1cccc(c1O)NC MB31993 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.2 Cc1cccc(c1O)SC MB31066 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.2 Cc1ccnc(c1C)CN AB76790 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.2 Cc1ccnc(c1Cl)CCl AB83300 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.2 Cc1ccnc(c1Cl)CN AB83302 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.2 Cc1cncc(c1C)CN AB76787 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.2 Cc1cncc(c1Cl)CCl AB83266 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.2 Cc1cncc(c1Cl)CN AB83269 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.2 Cc1cncc(c1F)CN AB82941 [1,1,0,0,0,0|1,1,0]=4 618 B10R1.2 Cn1cccc(c1=O)CN PB24240 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.2 c1c(c(c(cn1)Cl)F)CN AB75056 [1,1,0,0,0,0|1,1,0]=4 620 B10R1.2 c1c(c(c(cn1)Cl)N)CN AB83904 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.2 c1c(c(c(cn1)Cl)O)CN AB84033 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.2 c1c(c(c(cn1)F)Cl)CCl AB83148 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.2 c1c(c(c(cn1)F)Cl)CN AB83149 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.2 c1c(c(c(cn1)N)Cl)CN AB83884 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.2 c1c(c(c(cn1)O)Cl)CCl AB83999 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.2 c1c(c(c(cn1)O)Cl)CN AB84000 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.2 c1cc(c(c(c1)Br)Cl)C#N CB11304 [1,1,0,0,0,0|0,0,2]=4 628 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [1,1,0,0,0,0|1,1,0]=4 631 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [1,1,0,0,0,0|0,1,0]=3 634 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [1,1,0,0,0,0|0,1,0]=3 636 B10R1.2 c1cc(c(c(c1)O)Cl)C#N MB10145 [1,1,0,0,0,0|0,0,2]=4 637 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [1,1,0,0,0,0|0,1,0]=3 638 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [1,1,0,0,0,0|0,1,0]=3 639 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.2 c1cnc(c(c1CCl)Cl)F AB66313 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.2 c1cnc(c(c1CCl)Cl)O AB71003 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.2 c1cnc(c(c1CN)Cl)F AB66314 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.2 c1cnc(c(c1CN)Cl)N AB83937 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.2 c1cnc(c(c1CN)F)Cl AB76202 [1,1,0,0,0,0|1,1,0]=4 645 B10R1.2 c1cnc(c(c1CN)O)Cl AB76795 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.2 c1cnc(c(c1Cl)F)CN AB70770 [1,1,0,0,0,0|1,1,0]=4 647 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.2 c1cnc(c(c1F)Cl)CCl AB83006 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.2 c1cnc(c(c1F)Cl)CN AB83007 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.2 c1cnc(c(c1N)Cl)CN AB83927 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.2 c1cnc(c(c1O)Cl)CCl AB84054 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.2 c1cnc(c(c1O)Cl)CN AB84056 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.20 COc1c(cccn1)CCl AB54482 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.20 COc1c(cccn1)CN PB10680 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.20 COc1c(cccn1)CN PB15194 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.20 COc1ccccc1C#N AB00156 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.20 COc1ccccc1C=O AB00311 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.20 COc1cccnc1CCl AB60052 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.20 COc1cccnc1CN AB40619 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.20 COc1ccncc1CCl AB68800 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.20 COc1ccncc1CN AB67859 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.20 COc1cnccc1CCl AB67554 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.20 COc1cnccc1CN AB63142 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.20 c1cc(c(nc1)C#N)CN AB67388 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.20 c1cc(c(nc1)CCl)CCl AB60050 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.20 c1cc(c(nc1)CN)C#N AB67702 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.20 c1cncc(c1C#N)CN AB68131 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.20 c1cncc(c1CCl)CCl AB60081 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.20 c1cncc(c1CN)C#N AB67699 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,1,0,0,0,0|0,1,0]=3 674 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,1,0,0,0,0|0,0,0]=2 676 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,1,0,0,0,0|0,1,0]=3 677 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,1,0,0,0,0|0,1,0]=3 678 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.25 CCc1ccc(nc1N)C AB03677 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.25 CCn1ccc(cc1=O)Br PB38061 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.25 CCn1ccc(cc1=O)N PB23013 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.25 CNc1ccc(cc1F)O MB31256 [1,1,0,0,0,0|1,1,0]=4 688 B10R1.25 CNc1ccc(cc1I)O MB37121 [1,1,0,0,0,0|1,1,0]=4 689 B10R1.25 CNc1ccc(cc1N)O MB30558 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.25 COc1c(cc(cn1)Br)Cl AB20950 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.25 COc1c(cc(cn1)N)Cl AB70284 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.25 COc1ccc(cc1F)Br AB01075 [1,1,0,0,0,0|1,1,0]=4 698 B10R1.25 COc1ccc(cc1I)O MB26647 [1,1,0,0,0,0|1,1,0]=4 699 B10R1.25 COc1ccc(cc1N)O MB34521 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.25 COc1ccc(cc1O)I MB38179 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.25 COc1ccc(nc1Cl)N AB40624 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.25 COc1cnc(cc1Cl)N PB15356 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.25 CSc1ccc(cc1Br)O MB25524 [1,1,0,0,0,0|1,1,0]=4 705 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.25 CSc1ccc(cc1F)O MB25544 [1,1,0,0,0,0|1,1,0]=4 707 B10R1.25 CSc1ccc(cc1N)O MB34593 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.25 Cc1c(ccc(n1)Br)CN AB69340 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.25 Cc1c(ccc(n1)Cl)CN AB74568 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.25 Cc1cc(c(cn1)CCl)Cl AB83327 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.25 Cc1cc(c(cn1)CN)Br AB68171 [1,1,0,0,0,0|1,1,0]=4 716 B10R1.25 Cc1cc(c(cn1)CN)Cl AB68154 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.25 Cc1cc(c(cn1)CN)F AB83048 [1,1,0,0,0,0|1,1,0]=4 718 B10R1.25 Cc1cc(c(nc1)CCl)Cl AB75094 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [1,1,0,0,0,0|1,1,0]=4 722 B10R1.25 Cc1cc(ccc1NC)O MB05083 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.25 Cc1cc(cnc1CN)Br AB41237 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.25 Cc1cc(cnc1CN)Cl AB75120 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.25 Cc1cc(cnc1CN)F AB41242 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.25 Cc1cc(ncc1CN)C AB62611 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.25 Cc1cc(ncc1CN)Cl AB74564 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.25 Cc1cc(ncc1CN)F AB83068 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [1,1,0,0,0,0|1,1,0]=4 731 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.25 Cc1ccc(c(n1)Br)CN AB68158 [1,1,0,0,0,0|1,1,0]=4 735 B10R1.25 Cc1ccc(c(n1)Cl)CN AB23323 [1,1,0,0,0,0|1,0,0]=3 736 B10R1.25 c1c(c(cnc1Cl)CN)Cl AB68217 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.25 c1c(c(cnc1F)CCl)Cl AB83187 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.25 c1c(c(cnc1F)CN)Cl AB83188 [1,1,0,0,0,0|1,0,0]=3 739 B10R1.25 c1c(cnc(c1Cl)CCl)F AB70994 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.25 c1c(cnc(c1Cl)CN)F AB71565 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.25 c1c(cnc(c1F)CN)Br PB24277 [1,1,0,0,0,0|1,1,0]=4 742 B10R1.25 c1c(cnc(c1F)CN)Cl AB75040 [1,1,0,0,0,0|1,1,0]=4 743 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [1,1,0,0,0,0|1,1,0]=4 746 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [1,1,0,0,0,0|1,1,0]=4 748 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [1,1,0,0,0,0|1,1,0]=4 752 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [1,1,0,0,0,0|0,1,0]=3 753 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [1,1,0,0,0,0|0,0,0]=2 755 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [1,1,0,0,0,0|0,1,0]=3 756 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [1,1,0,0,0,0|1,0,0]=3 757 B10R1.25 c1cc(nc(c1CCl)Cl)Cl AB31596 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.25 c1cc(nc(c1CN)Br)Cl AB68220 [1,1,0,0,0,0|1,1,0]=4 759 B10R1.25 c1cc(nc(c1CN)Cl)Br AB68231 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.25 c1cc(nc(c1CN)Cl)Cl AB68210 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.25 c1cc(nc(c1CO)Cl)Cl PB32897 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.30 CCc1cc(ccc1Br)O MB23770 [1,1,0,0,0,0|0,1,0]=3 763 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.30 CCc1cc(ccc1F)O MB23754 [1,1,0,0,0,0|0,1,0]=3 765 B10R1.30 CCc1cc(ccc1I)O MB09270 [1,1,0,0,0,0|0,1,0]=3 766 B10R1.30 CCc1cc(ccc1N)O MB23757 [1,1,0,0,0,0|1,0,0]=3 767 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,1,0,0,0,0|1,0,0]=3 771 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.30 CNc1cc(ccc1F)O MB28645 [1,1,0,0,0,0|1,1,0]=4 774 B10R1.30 CNc1cc(ccc1I)O MB33108 [1,1,0,0,0,0|1,1,0]=4 775 B10R1.30 CNc1cc(ccc1N)O MB33092 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.30 CNc1cc(cnc1Cl)Br AB40833 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.30 CNc1cc(cnc1Cl)Cl AB41028 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.30 COc1cc(ccc1Br)O MB00359 [1,1,0,0,0,0|1,1,0]=4 783 B10R1.30 COc1cc(ccc1Cl)O MB25434 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.30 COc1cc(ccc1F)O MB08744 [1,1,0,0,0,0|1,1,0]=4 785 B10R1.30 COc1cc(ccc1I)Br CB11560 [1,1,0,0,0,0|1,1,0]=4 786 B10R1.30 COc1cc(ccc1I)O MB29625 [1,1,0,0,0,0|1,1,0]=4 787 B10R1.30 COc1cc(ccc1N)F MB00562 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.30 COc1cc(ccc1N)O MB01122 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.30 COc1cc(ccc1O)I MB05217 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.30 COc1cc(cnc1Cl)F AB74801 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.30 COc1cc(ncc1Cl)N AB70478 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.30 CSc1cc(ccc1Br)O MB38334 [1,1,0,0,0,0|1,1,0]=4 795 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.30 CSc1cc(ccc1F)O MB25679 [1,1,0,0,0,0|1,1,0]=4 797 B10R1.30 CSc1cc(ccc1I)O MB30001 [1,1,0,0,0,0|1,1,0]=4 798 B10R1.30 CSc1cc(ccc1N)O MB25516 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.30 Cc1c(cc(cn1)Cl)CN AB62431 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.30 Cc1cc(c(cn1)Br)CN AB68167 [1,1,0,0,0,0|1,1,0]=4 805 B10R1.30 Cc1cc(c(cn1)C)CN AB76782 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.30 Cc1cc(c(cn1)Cl)CN AB68151 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.30 Cc1cc(c(nc1)Cl)CCl AB71113 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [1,1,0,0,0,0|1,1,0]=4 811 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.30 Cc1ccc(c(n1)CN)Br AB68170 [1,1,0,0,0,0|1,1,0]=4 813 B10R1.30 Cc1ccc(c(n1)CN)Cl AB68153 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.30 Cc1ccc(cc1CN)O MB26411 [1,1,0,0,0,0|1,0,0]=3 816 B10R1.30 Cc1ccc(cc1NC)O MB36159 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.30 Cc1ccc(cc1OC)O MB25418 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.30 Cc1ccc(nc1CN)C AB65466 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.30 Cc1ccc(nc1CN)Cl AB75112 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.30 Cc1ccc(nc1CN)F AB82890 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.30 Cc1cnc(cc1CN)Cl AB75278 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.30 Cc1cnc(cc1CN)F AB82870 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.30 c1c(c(cnc1Cl)Cl)CCl AB69878 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.30 c1c(c(cnc1Cl)Cl)CN AB68213 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.30 c1c(c(cnc1Cl)F)CN AB72294 [1,1,0,0,0,0|1,1,0]=4 827 B10R1.30 c1c(cnc(c1CCl)Cl)F AB70662 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.30 c1c(cnc(c1CN)Cl)F AB65094 [1,1,0,0,0,0|1,0,0]=3 829 B10R1.30 c1c(cnc(c1CN)F)Br PB16767 [1,1,0,0,0,0|1,1,0]=4 830 B10R1.30 c1c(cnc(c1CO)Cl)Br PB17569 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.30 c1c(cnc(c1CO)Cl)F AB13672 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.30 c1cc(c(cc1Br)CN)N AB23393 [1,1,0,0,0,0|1,0,0]=3 833 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [1,1,0,0,0,0|1,0,0]=3 834 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.30 c1cc(c(cc1Br)NN)F AB13329 [1,1,0,0,0,0|1,1,0]=4 837 B10R1.30 c1cc(c(cc1Cl)CN)N AB23303 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [1,1,0,0,0,0|1,0,0]=3 839 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [1,1,0,0,0,0|2,0,0]=4 840 B10R1.30 c1cc(c(cc1F)CN)N AB23426 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.30 c1cc(c(cc1I)CBr)Cl AB43862 [1,1,0,0,0,0|1,0,0]=3 844 B10R1.30 c1cc(c(cc1I)CN)Cl AB44524 [1,1,0,0,0,0|0,0,0]=2 845 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [1,1,0,0,0,0|1,0,0]=3 846 B10R1.30 c1cc(c(cc1N)C#N)Cl AB07265 [1,1,0,0,0,0|0,0,2]=4 847 B10R1.30 c1cc(c(cc1N)CN)F AB23413 [1,1,0,0,0,0|0,1,0]=3 848 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [1,1,0,0,0,0|1,0,0]=3 849 B10R1.30 c1cc(c(cc1O)C#N)Cl MB07522 [1,1,0,0,0,0|0,0,2]=4 850 B10R1.30 c1cc(c(cc1O)C=O)Cl MB05036 [1,1,0,0,0,0|1,0,1]=4 851 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [1,1,0,0,0,0|0,1,0]=3 852 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [1,1,0,0,0,0|0,0,0]=2 853 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [1,1,0,0,0,0|0,1,0]=3 854 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [1,1,0,0,0,0|0,1,0]=3 855 B10R1.30 c1cc(nc(c1Br)CN)Cl AB73060 [1,1,0,0,0,0|1,1,0]=4 856 B10R1.30 c1cc(nc(c1Cl)CN)Cl AB68215 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.30 c1cc(nc(c1F)CN)Cl AB74839 [1,1,0,0,0,0|1,1,0]=4 858 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [1,1,0,0,0,0|2,0,0]=4 859 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [1,1,0,0,0,0|1,0,1]=4 860 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [1,1,0,0,0,0|1,0,1]=4 861 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [1,1,0,0,0,0|1,0,1]=4 862 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [1,1,0,0,0,0|2,0,0]=4 864 B10R1.61 CC(C)c1ccncc1O MB22678 [1,1,0,0,0,0|2,0,0]=4 865 B10R1.61 CC(C)c1cnccc1O MB22684 [1,1,0,0,0,0|2,0,0]=4 866 B10R1.61 CC(C)c1cncnc1Cl AB55647 [1,1,0,0,0,0|2,0,0]=4 867 B10R1.61 CC(c1cccnc1Br)N AB41828 [1,1,0,0,0,0|1,1,0]=4 868 B10R1.61 CC(c1cccnc1Cl)N AB67346 [1,1,0,0,0,0|1,0,0]=3 869 B10R1.61 CC(c1cnccc1Cl)N AB68000 [1,1,0,0,0,0|1,0,0]=3 870 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.61 CN(C)c1ccccc1O MB08302 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.61 Cc1ccccc1C(=N)N AB18273 [1,1,0,0,0,0|1,0,1]=4 875 B10R1.61 Cc1ccccc1C(=S)N AB16881 [1,1,0,0,0,0|1,0,1]=4 876 B10R1.61 Cc1ccncc1C(C)N AB67850 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.61 c1cc(c(nc1)Cl)C(=N)N MB05508 [1,1,0,0,0,0|1,0,1]=4 878 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [1,1,0,0,0,0|0,1,1]=4 879 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [1,1,0,0,0,0|0,0,1]=3 880 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [1,1,0,0,0,0|0,1,1]=4 881 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [1,1,0,0,0,0|1,0,1]=4 882 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [1,1,0,0,0,0|0,1,1]=4 883 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [1,1,0,0,0,0|0,0,1]=3 884 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [1,1,0,0,0,0|1,0,1]=4 885 B10R1.245 CCc1c(cccc1Br)O MB23614 [1,1,0,0,0,0|0,1,0]=3 886 B10R1.245 CCc1c(cccc1Cl)O MB23615 [1,1,0,0,0,0|0,0,0]=2 887 B10R1.245 CCc1c(cccc1F)O MB23585 [1,1,0,0,0,0|0,1,0]=3 888 B10R1.245 CCc1c(cccc1I)O MB23587 [1,1,0,0,0,0|0,1,0]=3 889 B10R1.245 CCc1c(cccc1O)C MB23554 [1,1,0,0,0,0|1,0,0]=3 890 B10R1.245 CCc1c(cccc1O)N MB23558 [1,1,0,0,0,0|1,0,0]=3 891 B10R1.245 CNc1c(cccc1Br)O MB31500 [1,1,0,0,0,0|1,1,0]=4 892 B10R1.245 CNc1c(cccc1Cl)O MB33359 [1,1,0,0,0,0|1,0,0]=3 893 B10R1.245 CNc1c(cccc1F)O MB29137 [1,1,0,0,0,0|1,1,0]=4 894 B10R1.245 CNc1c(cccc1I)O MB30346 [1,1,0,0,0,0|1,1,0]=4 895 B10R1.245 CNc1c(cccc1O)N MB01610 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.245 COc1c(cccc1Br)F AB21504 [1,1,0,0,0,0|1,1,0]=4 897 B10R1.245 COc1c(cccc1Br)O MB09199 [1,1,0,0,0,0|1,1,0]=4 898 B10R1.245 COc1c(cccc1Cl)O MB34190 [1,1,0,0,0,0|1,0,0]=3 899 B10R1.245 COc1c(cccc1F)N MB00204 [1,1,0,0,0,0|1,1,0]=4 900 B10R1.245 COc1c(cccc1I)O MB33689 [1,1,0,0,0,0|1,1,0]=4 901 B10R1.245 COc1c(cccc1O)N MB14425 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.245 CSc1c(cccc1Br)O MB32344 [1,1,0,0,0,0|1,1,0]=4 903 B10R1.245 CSc1c(cccc1Cl)O MB25403 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.245 CSc1c(cccc1I)O MB36697 [1,1,0,0,0,0|1,1,0]=4 905 B10R1.245 CSc1c(cccc1O)N MB26572 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.245 Cc1c(c(ccn1)Cl)CCl AB83333 [1,1,0,0,0,0|2,0,0]=4 907 B10R1.245 Cc1c(c(ccn1)Cl)CN AB83336 [1,1,0,0,0,0|1,0,0]=3 908 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.245 Cc1c(c(ccn1)F)CN AB83020 [1,1,0,0,0,0|1,1,0]=4 910 B10R1.245 Cc1cccc(c1CCl)C AB08451 [1,1,0,0,0,0|2,0,0]=4 911 B10R1.245 Cc1cccc(c1CN)O MB25667 [1,1,0,0,0,0|1,0,0]=3 912 B10R1.245 Cc1cccc(c1CO)C AB03562 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.245 Cc1cccc(c1OC)O MB33579 [1,1,0,0,0,0|2,0,0]=4 914 B10R1.245 Cc1cccc(c1SC)O MB08534 [1,1,0,0,0,0|2,0,0]=4 915 B10R1.245 Cc1ccnc(c1CCl)Cl AB71112 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.245 Cc1ccnc(c1CN)C AB75357 [1,1,0,0,0,0|2,0,0]=4 917 B10R1.245 Cc1ccnc(c1CN)Cl AB74563 [1,1,0,0,0,0|1,0,0]=3 918 B10R1.245 Cc1ccnc(c1CN)F AB83056 [1,1,0,0,0,0|1,1,0]=4 919 B10R1.245 Cc1cncc(c1CCl)Cl AB83249 [1,1,0,0,0,0|2,0,0]=4 920 B10R1.245 Cc1cncc(c1CN)C AB65429 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.245 Cc1cncc(c1CN)Cl AB83251 [1,1,0,0,0,0|1,0,0]=3 922 B10R1.245 Cc1cncc(c1CN)F AB82914 [1,1,0,0,0,0|1,1,0]=4 923 B10R1.245 c1c(c(c(cn1)Cl)CCl)F AB70995 [1,1,0,0,0,0|2,0,0]=4 924 B10R1.245 c1c(c(c(cn1)Cl)CN)F AB75075 [1,1,0,0,0,0|1,0,0]=3 925 B10R1.245 c1cc(c(c(c1)Br)C#N)Cl MB03774 [1,1,0,0,0,0|0,0,2]=4 926 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl MB01095 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.245 c1cc(c(c(c1)Br)CN)O MB12052 [1,1,0,0,0,0|0,1,0]=3 928 B10R1.245 c1cc(c(c(c1)Br)CO)F AB50340 [1,1,0,0,0,0|1,1,0]=4 929 B10R1.245 c1cc(c(c(c1)Cl)C#N)O PB19932 [1,1,0,0,0,0|0,0,2]=4 930 B10R1.245 c1cc(c(c(c1)Cl)C=O)N AB58431 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.245 c1cc(c(c(c1)Cl)C=O)O MB01945 [1,1,0,0,0,0|1,0,1]=4 932 B10R1.245 c1cc(c(c(c1)Cl)CN)O MB15041 [1,1,0,0,0,0|0,0,0]=2 933 B10R1.245 c1cc(c(c(c1)F)CN)O MB03739 [1,1,0,0,0,0|0,1,0]=3 934 B10R1.245 c1cc(c(c(c1)I)CN)O MB31821 [1,1,0,0,0,0|0,1,0]=3 935 B10R1.245 c1cc(c(c(c1)O)CN)N MB31845 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.245 c1cnc(c(c1Cl)CCl)F AB83202 [1,1,0,0,0,0|2,0,0]=4 937 B10R1.245 c1cnc(c(c1Cl)CN)F AB83203 [1,1,0,0,0,0|1,0,0]=3 938 B12R1.24 c1cc(c(c(c1)Cl)Cl)C(=O)NN MB02428 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.25 Cc1c(c(ccn1)CCCN)Cl AB83312 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.25 Cc1c(ccnc1CCCN)Cl AB83263 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.25 Cc1c(ccnc1CCCN)F AB82933 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.25 Cc1c(ccnc1Cl)CCCN AB83369 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.25 Cc1c(ccnc1F)CCCN AB82859 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.25 Cc1c(cncc1Cl)CCCN AB83293 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.25 Cc1c(nccc1CCCN)C AB82568 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.25 Cc1ccnc(c1C)CCCN AB82558 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.25 Cc1ccnc(c1Cl)CCCN AB83306 [0,2,0,0,0,0|1,0,0]=3 948 B12R1.25 Cc1cncc(c1C)CCCN AB82561 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.25 Cc1cncc(c1Cl)CCCN AB83275 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.25 Cc1cncc(c1F)CCCN AB82947 [0,2,0,0,0,0|1,1,0]=4 951 B12R1.25 c1c(c(c(cn1)Cl)F)CCCN AB82979 [0,2,0,0,0,0|1,1,0]=4 952 B12R1.25 c1c(c(c(cn1)Cl)O)CCCN AB84037 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.25 c1c(c(c(cn1)F)Cl)CCCN AB83153 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.25 c1c(c(c(cn1)O)Cl)CCCN AB84003 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.25 c1cc(c(c(c1)Cl)Cl)CCCN AB38716 [0,2,0,0,0,0|0,0,0]=2 956 B12R1.25 c1cc(c(c(c1)F)F)CCCN AB38719 [0,2,0,0,0,0|0,1,0]=3 957 B12R1.25 c1cnc(c(c1CCCN)Cl)F AB83166 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.25 c1cnc(c(c1CCCN)Cl)N AB83942 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.25 c1cnc(c(c1CCCN)F)Cl AB83224 [0,2,0,0,0,0|1,1,0]=4 960 B12R1.25 c1cnc(c(c1CCCN)O)Cl AB84115 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.25 c1cnc(c(c1Cl)F)CCCN AB83141 [0,2,0,0,0,0|1,1,0]=4 962 B12R1.25 c1cnc(c(c1Cl)O)CCCN AB83987 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.25 c1cnc(c(c1F)Cl)CCCN AB83011 [0,2,0,0,0,0|1,0,0]=3 964 B12R1.25 c1cnc(c(c1O)Cl)CCCN AB84060 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.224 CC(C)Oc1cccc(c1Cl)O MB23238 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.280 COc1c(c(ccn1)CCN)F AB76981 [0,2,0,0,0,0|1,1,0]=4 967 B12R1.497 c1cc(c(c(c1F)F)CC=O)Cl AB31718 [0,2,0,0,0,0|1,0,1]=4 968 B12R1.497 c1cc(c(c(c1F)F)CCO)Br AB31685 [0,2,0,0,0,0|1,1,0]=4 969 B12R1.497 c1cc(c(c(c1F)F)CCO)Cl AB31691 [0,2,0,0,0,0|1,0,0]=3 970 B12R1.497 c1cc(c(c(c1F)F)CCO)I AB31688 [0,2,0,0,0,0|1,1,0]=4 971 B12R1.497 c1cc(c(c(c1N)CCO)F)F AB31695 [0,2,0,0,0,0|1,1,0]=4 972 B12R1.544 c1cc(c(c(c1CCO)F)F)F AB21107 [0,2,0,0,0,0|1,1,0]=4 973 B12R1.69 Cc1cc(c(cn1)CCCN)Cl AB83332 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.69 Cc1cc(c(cn1)CCCN)F AB83052 [0,2,0,0,0,0|1,1,0]=4 975 B12R1.69 Cc1cc(c(nc1)CCCN)C AB82549 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.69 Cc1cc(c(nc1)CCCN)Cl AB83246 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.69 Cc1cc(c(nc1)CCCN)F AB82909 [0,2,0,0,0,0|1,1,0]=4 978 B12R1.69 Cc1cc(cnc1CCCN)Cl AB83242 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.69 Cc1cc(cnc1CCCN)F AB82905 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.69 Cc1cc(ncc1CCCN)C AB82578 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.69 Cc1cc(ncc1CCCN)Cl AB83353 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.69 Cc1cc(ncc1CCCN)F AB83070 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.69 c1c(c(cnc1F)CCCN)Cl AB83194 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.69 c1c(cnc(c1Cl)CCCN)F AB83124 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.69 c1c(cnc(c1F)CCCN)Cl AB83119 [0,2,0,0,0,0|1,1,0]=4 986 B12R1.69 c1cc(c(cc1Cl)Cl)CCCN AB38717 [0,2,0,0,0,0|0,0,0]=2 987 B12R1.69 c1cc(c(cc1F)F)CCCN AB38723 [0,2,0,0,0,0|0,1,0]=3 988 B12R1.69 c1cc(c(cc1N)N)OCCO MB00378 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.121 COc1c(cccn1)CCCN AB55116 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.121 COc1ccccc1CCC=O AB42265 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.121 COc1ccccc1CCCN AB07599 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.121 COc1ccncc1CCCN AB67903 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.121 c1cc(c(nc1)C#N)CCCN AB67418 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,2,0,0,0,0|1,1,0]=4 995 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,2,0,0,0,0|1,0,0]=3 996 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,2,0,0,0,0|1,1,0]=4 997 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,2,0,0,0,0|1,1,0]=4 998 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.125 c1ccc(c(c1)CNC(=N)N)N AB54835 [0,2,0,0,0,0|1,0,1]=4 1000 B12R1.267 CCOCOc1cccnc1Cl AB76594 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.267 CNCCCc1ccccc1Br AB38782 [0,2,0,0,0,0|0,1,0]=3 1002 B12R1.267 CNCCCc1ccccc1Cl AB38777 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.267 CNCCCc1ccccc1F AB38765 [0,2,0,0,0,0|0,1,0]=3 1004 B12R1.267 Cc1ccccc1CCCNC AB38758 [0,2,0,0,0,0|1,0,0]=3 1005 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl AB14424 [0,2,0,0,0,0|1,0,0]=3 1006 B12R1.371 CC(CN)Oc1ccccc1Br AB38866 [0,2,0,0,0,0|0,1,0]=3 1007 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.371 CC(CN)Oc1ccccc1F AB23635 [0,2,0,0,0,0|0,1,0]=3 1009 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,2,0,0,0,0|0,0,2]=4 1010 B12R1.371 Cc1ccccc1OC(C)CN AB23640 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.374 Cc1cc(c(cn1)C)CCCN AB82533 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.374 Cc1cc(c(nc1)C)CCCN AB82545 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.374 Cc1cc(c(nc1)Cl)CCCN AB83240 [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.374 Cc1cc(c(nc1)F)CCCN AB82898 [0,2,0,0,0,0|1,1,0]=4 1015 B12R1.374 Cc1ccc(nc1CCCN)C AB82537 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.374 Cc1ccc(nc1CCCN)Cl AB83236 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.374 Cc1ccc(nc1CCCN)F AB82894 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.374 Cc1cnc(cc1CCCN)Cl AB83227 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.374 Cc1cnc(cc1CCCN)F AB82874 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.374 c1c(c(cnc1Cl)F)CCCN AB83097 [0,2,0,0,0,0|1,1,0]=4 1021 B12R1.374 c1c(cnc(c1CCCN)Cl)F AB83113 [0,2,0,0,0,0|1,0,0]=3 1022 B12R1.374 c1cc(c(cc1F)CCCN)F AB38727 [0,2,0,0,0,0|0,1,0]=3 1023 B12R1.374 c1cc(nc(c1F)CCCN)Cl AB83107 [0,2,0,0,0,0|1,1,0]=4 1024 B12R1.1631 Cc1c(c(ccn1)Cl)CCCN AB83341 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.1631 Cc1c(c(ccn1)F)CCCN AB83024 [0,2,0,0,0,0|1,1,0]=4 1026 B12R1.1631 Cc1ccnc(c1CCCN)C AB82608 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.1631 Cc1ccnc(c1CCCN)Cl AB83346 [0,2,0,0,0,0|1,0,0]=3 1028 B12R1.1631 Cc1ccnc(c1CCCN)F AB83060 [0,2,0,0,0,0|1,1,0]=4 1029 B12R1.1631 Cc1cncc(c1CCCN)C AB82553 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.1631 Cc1cncc(c1CCCN)Cl AB83257 [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.1631 Cc1cncc(c1CCCN)F AB82919 [0,2,0,0,0,0|1,1,0]=4 1032 B12R1.1631 c1c(c(c(cn1)Cl)CCCN)F AB83132 [0,2,0,0,0,0|1,0,0]=3 1033 B12R1.1631 c1cc(c(c(c1)F)CCCN)F AB38728 [0,2,0,0,0,0|0,1,0]=3 1034 B12R1.1631 c1cnc(c(c1Cl)CCCN)F AB83207 [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.75 CC(Cc1ccccc1OC)N MB01561 [0,2,0,0,0,0|1,0,0]=3 1036 B12R1.283 B(c1ccccc1CCBr)(O)O AB26477 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.283 c1ccc(c(c1)CCN)[N+](=O)[O-] AB23295 [0,2,0,0,0,0|1,0,0]=3 1038 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN CB10300 [0,2,0,0,0,0|0,0,1]=3 1040 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AB02080 [0,2,0,0,0,0|1,0,1]=4 1041 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AB24559 [0,2,0,0,0,0|1,0,1]=4 1042 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl AB14834 [0,2,0,0,0,0|1,0,1]=4 1043 B12R1.127 CC(C)Oc1cc(ccc1Cl)O MB22972 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.151 CC(C)(Cc1ccccc1Br)N AB64466 [0,2,0,0,0,0|0,1,0]=3 1045 B12R1.151 CC(C)(Cc1ccccc1Cl)N AB07476 [0,2,0,0,0,0|0,0,0]=2 1046 B12R1.151 CC(C)(Cc1ccccc1F)N AB54578 [0,2,0,0,0,0|0,1,0]=3 1047 B12R1.151 CC(C)(Cc1ccccc1N)N AB68846 [0,2,0,0,0,0|1,0,0]=3 1048 B12R1.151 c1ccc(c(c1)CC(F)(F)F)Br AB55785 [0,2,0,0,0,0|1,1,0]=4 1049 B12R1.151 c1ccc(c(c1)CC(F)(F)F)I AB56086 [0,2,0,0,0,0|1,1,0]=4 1050 B12R1.151 c1ccc(c(c1)CC(F)(F)F)N AB76414 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.1009 CC(C)Oc1c(cccc1Cl)O MB22820 [0,2,0,0,0,0|2,0,0]=4 1052 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [1,0,0,1,0,0|2,0,0]=4 1053 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|1,0,0]=3 1054 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 1055 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|1,0,0]=3 1056 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,1,0,0|2,0,0]=4 1057 B12R2.82 c1cc(c(c2c1NCC2)Cl)F MB12065 [0,1,0,1,0,0|0,0,0]=2 1058 B12R2.82 c1cc(c(c2c1NCC2)F)Cl MB69360 [0,1,0,1,0,0|0,1,0]=3 1059 B12R2.82 c1cc(c(c2c1NCC2)F)F MB03180 [0,1,0,1,0,0|0,1,0]=3 1060 B12R2.82 c1cc(c(c2c1NCC2)F)F MB69361 [0,1,0,1,0,0|0,1,0]=3 1061 B12R2.202 c1c2c(c(cn1)Cl)CC(=O)N2 AB73885 [0,1,0,1,0,0|1,0,1]=4 1062 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [0,1,0,1,0,0|0,1,1]=4 1063 B12R2.202 c1cc2c(c(c1)Br)CC(C2)N AB69977 [0,1,0,1,0,0|0,1,0]=3 1064 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [0,1,0,1,0,0|0,0,1]=3 1065 B12R2.202 c1cc2c(c(c1)Cl)CC(C2)N AB69973 [0,1,0,1,0,0|0,0,0]=2 1066 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)N MB01974 [0,1,0,1,0,0|1,0,1]=4 1067 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 AB17595 [0,1,0,1,0,0|0,1,1]=4 1068 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [0,1,0,1,0,0|1,0,1]=4 1069 B12R2.202 c1cc2c(cn(n2)N)c(c1)Cl MB14918 [0,1,0,1,0,0|1,0,1]=4 1070 B12R2.202 c1cnc(c2c1NC(=O)C2)Cl AB66490 [0,1,0,1,0,0|1,0,1]=4 1071 B12R2.202 c1cnc2c(c1Cl)CC(=O)N2 PB29827 [0,1,0,1,0,0|1,0,1]=4 1072 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,1,0,1,0,0|1,0,0]=3 1073 B12R2.1081 Cc1c2c(ccn1)CCNC2 AB84970 [0,1,0,1,0,0|2,0,0]=4 1074 B12R2.1081 Cc1c2c(ccn1)CNCC2 AB84983 [0,1,0,1,0,0|2,0,0]=4 1075 B12R2.1081 c1c2c(c(cn1)Br)CCNC2 AB76671 [0,1,0,1,0,0|1,1,0]=4 1076 B12R2.1081 c1c2c(c(cn1)Cl)CCNC2 AB84975 [0,1,0,1,0,0|1,0,0]=3 1077 B12R2.1081 c1cc(c2c(c1)NCCO2)N MB09299 [0,1,0,1,0,0|1,0,0]=3 1078 B12R2.1081 c1cc(c2c(c1)OCCN2)N MB08294 [0,1,0,1,0,0|2,0,0]=4 1079 B12R2.1081 c1cc(c2c(c1)OCCO2)N PB30774 [0,1,0,1,0,0|2,0,0]=4 1080 B12R2.1081 c1cc(c2c(c1)OCCO2)O MB02241 [0,1,0,1,0,0|2,0,0]=4 1081 B12R2.1081 c1cc2c(c(c1)Br)CCCC2 MB06103 [0,1,0,1,0,0|1,1,0]=4 1082 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 PB31290 [0,1,0,1,0,0|0,1,0]=3 1083 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 PB22176 [0,1,0,1,0,0|0,1,0]=3 1084 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 PB28128 [0,1,0,1,0,0|1,0,0]=3 1085 B12R2.1081 c1cc2c(c(c1)Br)OCCN2 MB06348 [0,1,0,1,0,0|0,1,0]=3 1086 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 MB06321 [0,1,0,1,0,0|0,0,0]=2 1087 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 AB45748 [0,1,0,1,0,0|0,0,0]=2 1088 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 MB03608 [0,1,0,1,0,0|0,0,0]=2 1089 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 AB45195 [0,1,0,1,0,0|1,0,0]=3 1090 B12R2.1081 c1cc2c(c(c1)Cl)OCCN2 MB06343 [0,1,0,1,0,0|0,0,0]=2 1091 B12R2.1081 c1cc2c(c(c1)F)NCCO2 MB11311 [0,1,0,1,0,0|1,1,0]=4 1092 B12R2.1081 c1cc2c(c(c1)F)OCCN2 MB06345 [0,1,0,1,0,0|0,1,0]=3 1093 B12R2.1081 c1cc2c(c(c1)N)CCNC2 AB12578 [0,1,0,1,0,0|1,0,0]=3 1094 B12R2.1081 c1cc2c(c(c1)O)OCCN2 MB08144 [0,1,0,1,0,0|1,0,0]=3 1095 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,1,0,1,0,0|2,0,0]=4 1096 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,1,0,1,0,0|2,0,0]=4 1097 B12R2.1081 c1cc2n(c(=O)c1)CCCN2 MB08868 [0,1,0,1,0,0|2,0,0]=4 1098 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,1,0,1,0,0|2,0,0]=4 1099 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,1,0,1,0,0|2,0,0]=4 1100 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,1,0,1,0,0|2,0,0]=4 1101 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,1,0,1,0,0|2,0,0]=4 1102 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,1,0,0|1,0,0]=3 1103 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,1,0,0|2,0,0]=4 1104 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,1,0,0|1,0,1]=4 1105 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,1,0,1,0,0|2,0,0]=4 1106 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,1,0,1,0,0|2,0,0]=4 1107 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,1,0,1,0,0|2,0,0]=4 1108 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,1,0,1,0,0|2,0,0]=4 1109 B12R2.1081 c1cnc(c2c1CCCN2)Cl AB64129 [0,1,0,1,0,0|2,0,0]=4 1110 B12R2.1081 c1cnc(c2c1CCNC2)Br AB84969 [0,1,0,1,0,0|2,0,0]=4 1111 B12R2.1081 c1cnc(c2c1CCNC2)Cl AB75339 [0,1,0,1,0,0|2,0,0]=4 1112 B12R2.1081 c1cnc(c2c1CNCC2)Cl AB56101 [0,1,0,1,0,0|1,0,0]=3 1113 B12R2.1081 c1cnc(c2c1NCCC2)Br AB72999 [0,1,0,1,0,0|1,1,0]=4 1114 B12R2.1081 c1cnc(c2c1NCCC2)Cl AB64180 [0,1,0,1,0,0|1,0,0]=3 1115 B12R2.1081 c1cnc(c2c1NCCO2)Cl AB73008 [0,1,0,1,0,0|1,0,0]=3 1116 B12R2.1081 c1cnc2c(c1Br)CCCN2 AB76469 [0,1,0,1,0,0|1,1,0]=4 1117 B12R2.1081 c1cnc2c(c1Br)CCNC2 AB73915 [0,1,0,1,0,0|1,1,0]=4 1118 B12R2.1081 c1cnc2c(c1Br)CNCC2 AB73923 [0,1,0,1,0,0|2,0,0]=4 1119 B12R2.1081 c1cnc2c(c1Br)OCCN2 AB77467 [0,1,0,1,0,0|1,1,0]=4 1120 B12R2.1081 c1cnc2c(c1Cl)CCCN2 AB77458 [0,1,0,1,0,0|1,0,0]=3 1121 B12R2.1081 c1cnc2c(c1Cl)CCNC2 AB73916 [0,1,0,1,0,0|1,0,0]=3 1122 B12R2.1081 c1cnc2c(c1Cl)CNCC2 AB73925 [0,1,0,1,0,0|2,0,0]=4 1123 B12R2.1081 c1cnc2c(c1Cl)OCCN2 AB77469 [0,1,0,1,0,0|1,0,0]=3 1124 B12R2.1081 c1cnc2c(c1I)CCCN2 AB85214 [0,1,0,1,0,0|1,1,0]=4 1125 B12R2.1081 c1cnc2c(c1O)CCNC2 AB73921 [0,1,0,1,0,0|2,0,0]=4 1126 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [0,1,0,1,0,0|2,0,0]=4 1127 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [0,1,0,1,0,0|2,0,0]=4 1128 B12R2.1081 c1nc2c(c(n1)Cl)CCCN2 AB73928 [0,1,0,1,0,0|2,0,0]=4 1129 B12R2.1081 c1nc2c(c(n1)Cl)CCNC2 AB64232 [0,1,0,1,0,0|2,0,0]=4 1130 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,1,0,1,0,0|2,0,0]=4 1131 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,1,0,1,0,0|2,0,0]=4 1132 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,1,0,1,0,0|1,0,0]=3 1133 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,1,0,1,0,0|1,0,0]=3 1134 B12R2.24 Cc1cc2c(cn1)CCNC2 AB68344 [0,1,0,1,0,0|2,0,0]=4 1135 B12R2.24 Cc1cc2c(cn1)CNCC2 AB84973 [0,1,0,1,0,0|2,0,0]=4 1136 B12R2.24 Cc1cc2c(nc1)CCNC2 AB50085 [0,1,0,1,0,0|2,0,0]=4 1137 B12R2.24 Cc1cc2c(nc1)CNCC2 AB73904 [0,1,0,1,0,0|2,0,0]=4 1138 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [0,1,0,1,0,0|1,0,0]=3 1139 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [0,1,0,1,0,0|1,0,0]=3 1140 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.24 Cc1ccc2c(n1)CCNC2 AB68625 [0,1,0,1,0,0|2,0,0]=4 1142 B12R2.24 Cc1ccc2c(n1)CNCC2 AB70133 [0,1,0,1,0,0|2,0,0]=4 1143 B12R2.24 c1c(cnc2c1CCNC2)Br PB15141 [0,1,0,1,0,0|2,0,0]=4 1144 B12R2.24 c1c(cnc2c1CCNC2)Cl AB68785 [0,1,0,1,0,0|2,0,0]=4 1145 B12R2.24 c1c(cnc2c1CCNC2)F AB68784 [0,1,0,1,0,0|2,0,0]=4 1146 B12R2.24 c1c(cnc2c1CNCC2)Br PB26297 [0,1,0,1,0,0|2,0,0]=4 1147 B12R2.24 c1c(cnc2c1CNCC2)Cl AB57080 [0,1,0,1,0,0|2,0,0]=4 1148 B12R2.24 c1c(cnc2c1CNCC2)F AB68762 [0,1,0,1,0,0|2,0,0]=4 1149 B12R2.24 c1c(cnc2c1CNCC2)O AB44464 [0,1,0,1,0,0|2,0,0]=4 1150 B12R2.24 c1c2c(cnc1Br)CNCC2 AB84966 [0,1,0,1,0,0|2,0,0]=4 1151 B12R2.24 c1c2c(cnc1Cl)CCNC2 AB68340 [0,1,0,1,0,0|2,0,0]=4 1152 B12R2.24 c1c2c(cnc1Cl)CCNC2 AB72086 [0,1,0,1,0,0|2,0,0]=4 1153 B12R2.24 c1c2c(cnc1Cl)CNCC2 AB68873 [0,1,0,1,0,0|2,0,0]=4 1154 B12R2.24 c1cc(nc2c1CCNC2)Cl AB68870 [0,1,0,1,0,0|2,0,0]=4 1155 B12R2.24 c1cc(nc2c1CNCC2)Br AB51055 [0,1,0,1,0,0|2,0,0]=4 1156 B12R2.24 c1cc(nc2c1CNCC2)Cl AB56356 [0,1,0,1,0,0|2,0,0]=4 1157 B12R2.24 c1cc(nc2c1CNCC2)N AB64766 [0,1,0,1,0,0|2,0,0]=4 1158 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [0,1,0,1,0,0|2,0,0]=4 1159 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [0,1,0,1,0,0|2,0,0]=4 1160 B12R2.24 c1cc2c(cc1Br)CCNC2 MB05621 [0,1,0,1,0,0|1,0,0]=3 1161 B12R2.24 c1cc2c(cc1Br)CCNC2 PB30910 [0,1,0,1,0,0|1,0,0]=3 1162 B12R2.24 c1cc2c(cc1Br)CCOC2 MB09745 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.24 c1cc2c(cc1Br)CNCC2 PB18756 [0,1,0,1,0,0|1,0,0]=3 1164 B12R2.24 c1cc2c(cc1Br)NCCC2 PB12525 [0,1,0,1,0,0|2,0,0]=4 1165 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [0,1,0,1,0,0|2,0,0]=4 1166 B12R2.24 c1cc2c(cc1Cl)CCNC2 AB28730 [0,1,0,1,0,0|1,0,0]=3 1167 B12R2.24 c1cc2c(cc1Cl)CNCC2 AB22480 [0,1,0,1,0,0|1,0,0]=3 1168 B12R2.24 c1cc2c(cc1Cl)NCCC2 MB06330 [0,1,0,1,0,0|2,0,0]=4 1169 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [0,1,0,1,0,0|2,0,0]=4 1170 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [0,1,0,1,0,0|2,0,0]=4 1171 B12R2.24 c1cc2c(cc1F)CCNC2 AB28734 [0,1,0,1,0,0|1,0,0]=3 1172 B12R2.24 c1cc2c(cc1F)CCOC2 MB09734 [0,1,0,1,0,0|2,0,0]=4 1173 B12R2.24 c1cc2c(cc1F)CNCC2 AB13380 [0,1,0,1,0,0|1,0,0]=3 1174 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [0,1,0,1,0,0|2,0,0]=4 1175 B12R2.24 c1cc2c(cc1N)C=NCC2 AB44239 [0,1,0,1,0,0|1,0,1]=4 1176 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [0,1,0,1,0,0|2,0,0]=4 1177 B12R2.24 c1cc2c(cc1N)CCNC2 AB19115 [0,1,0,1,0,0|1,0,0]=3 1178 B12R2.24 c1cc2c(cc1N)CCOC2 MB07027 [0,1,0,1,0,0|2,0,0]=4 1179 B12R2.24 c1cc2c(cc1N)CNCC2 AB21317 [0,1,0,1,0,0|1,0,0]=3 1180 B12R2.24 c1cc2c(cc1O)CCNC2 AB09835 [0,1,0,1,0,0|1,0,0]=3 1181 B12R2.24 c1cc2c(cc1O)CNCC2 MB05747 [0,1,0,1,0,0|1,0,0]=3 1182 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,1,0,1,0,0|2,0,0]=4 1183 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,1,0,1,0,0|1,0,1]=4 1184 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,1,0,1,0,0|1,0,0]=3 1185 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,1,0,1,0,0|1,0,0]=3 1186 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,1,0,1,0,0|1,0,0]=3 1187 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,1,0,1,0,0|1,0,0]=3 1188 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,1,0,1,0,0|1,0,0]=3 1189 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,1,0,1,0,0|1,0,0]=3 1190 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [0,1,0,1,0,0|1,0,0]=3 1191 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,1,0,1,0,0|2,0,0]=4 1192 B12R2.32 c1ccc2c(c1)cc(s2)CN AB13993 [0,1,0,1,0,0|1,0,1]=4 1193 B12R2.32 c1ccc2c(c1)nc(o2)CN AB16902 [0,1,0,1,0,0|1,0,1]=4 1194 B12R2.32 c1ccc2c(c1)nc(s2)CN AB15872 [0,1,0,1,0,0|1,0,1]=4 1195 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,1,0,1,0,0|1,0,1]=4 1196 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,1,0,1,0,0|1,0,0]=3 1197 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,1,0,1,0,0|1,0,0]=3 1198 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,1,0,1,0,0|1,0,0]=3 1199 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,1,0,0|1,1,0]=4 1200 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,1,0,1,0,0|0,1,0]=3 1201 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,1,0,1,0,0|0,1,0]=3 1202 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,1,0,1,0,0|0,1,0]=3 1203 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|1,0,0]=3 1204 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,1,0,1,0,0|0,0,0]=2 1205 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,1,0,1,0,0|0,0,0]=2 1206 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,1,0,1,0,0|0,0,0]=2 1207 B12R2.196 c1cc2c(c(c1)Cl)CNC2=O AB51011 [0,1,0,1,0,0|1,0,1]=4 1208 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,1,0,0|1,1,0]=4 1209 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,1,0,1,0,0|0,1,0]=3 1210 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,1,0,1,0,0|0,1,0]=3 1211 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,1,0,1,0,0|0,1,0]=3 1212 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,1,0,0|1,1,0]=4 1213 B12R2.196 c1cc2c(cnn2N)c(c1)Cl MB14932 [0,1,0,1,0,0|1,0,1]=4 1214 B12R2.196 c1cc2c(cnn2O)c(c1)Cl MB69255 [0,1,0,1,0,0|1,0,1]=4 1215 B12R2.225 Cc1ccccc1OC2CC2 MB25701 [0,1,0,1,0,0|2,0,0]=4 1216 B12R2.225 c1cc(c(nc1)Cl)OC2CC2 MB19980 [0,1,0,1,0,0|2,0,0]=4 1217 B12R2.225 c1cc(c(nc1)OC2CC2)Cl MB19962 [0,1,0,1,0,0|2,0,0]=4 1218 B12R2.225 c1ccc(c(c1)N)OC2CC2 MB20137 [0,1,0,1,0,0|2,0,0]=4 1219 B12R2.225 c1ccc(c(c1)O)OC2CC2 MB06816 [0,1,0,1,0,0|2,0,0]=4 1220 B12R2.225 c1ccc(c(c1)OC2CC2)Br MB25567 [0,1,0,1,0,0|1,1,0]=4 1221 B12R2.225 c1ccc(c(c1)OC2CC2)Cl MB36032 [0,1,0,1,0,0|1,0,0]=3 1222 B12R2.225 c1ccc(c(c1)OC2CC2)F MB26509 [0,1,0,1,0,0|1,1,0]=4 1223 B12R2.225 c1ccc(c(c1)OC2CC2)I MB32394 [0,1,0,1,0,0|1,1,0]=4 1224 B12R2.225 c1cncc(c1Cl)OC2CC2 MB29114 [0,1,0,1,0,0|2,0,0]=4 1225 B12R2.225 c1cncc(c1OC2CC2)Cl MB19997 [0,1,0,1,0,0|2,0,0]=4 1226 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,1,0,1,0,0|1,0,0]=3 1227 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,1,0,1,0,0|1,0,0]=3 1228 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,1,0,1,0,0|2,0,0]=4 1229 B12R2.315 COc1c2c(ccn1)NCC2 AB73029 [0,1,0,1,0,0|2,0,0]=4 1230 B12R2.315 c1cc(c2c(c1)N=NC2)CCl AB58155 [0,1,0,1,0,0|1,0,1]=4 1231 B12R2.246 Cc1cc2c(c(n1)Cl)CCN2 AB73022 [0,1,0,1,0,0|1,0,0]=3 1232 B12R2.246 c1c(cc(c2=CCN=c21)Cl)Cl PB23331 [0,1,0,1,0,0|0,0,2]=4 1233 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB22071 [0,1,0,1,0,0|1,0,0]=3 1234 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB55794 [0,1,0,1,0,0|1,0,0]=3 1235 B12R2.606 c1cc2c(cc1Br)CC(C2)O AB66019 [0,1,0,1,0,0|2,0,0]=4 1236 B12R2.606 c1cc2c(cc1Cl)CC(C2)N AB69974 [0,1,0,1,0,0|1,0,0]=3 1237 B12R2.606 c1cc2c(cc1F)CC(C2)N AB43712 [0,1,0,1,0,0|1,0,0]=3 1238 B12R2.95 CC1(Cc2ccccc2N1)C AB70011 [0,1,0,1,0,0|2,0,0]=4 1239 B12R2.221 c1cc(c2c(c1Cl)CNC2)Cl MB09681 [0,1,0,1,0,0|2,0,0]=4 1240 B12R2.88 Cc1ccccc1C2(CC2)N AB39542 [0,1,0,1,0,0|2,0,0]=4 1241 B12R2.88 c1cc(c(nc1)Cl)C2(CC2)N AB67320 [0,1,0,1,0,0|2,0,0]=4 1242 B12R2.88 c1ccc(c(c1)C2(CC2)N)Br AB39532 [0,1,0,1,0,0|1,1,0]=4 1243 B12R2.88 c1ccc(c(c1)C2(CC2)N)Cl AB39536 [0,1,0,1,0,0|1,0,0]=3 1244 B12R2.88 c1ccc(c(c1)C2(CC2)N)F AB39534 [0,1,0,1,0,0|1,1,0]=4 1245 B12R2.88 c1cncc(c1Cl)C2(CC2)N AB67986 [0,1,0,1,0,0|2,0,0]=4 1246 B8R1.8 c1c(con1)CCN AB28074 [1,0,0,0,1,0|2,0,0]=4 1247 B8R1.8 c1c(ncs1)CCN AB45423 [1,0,0,0,1,0|2,0,0]=4 1248 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,1,0|1,0,0]=3 1249 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|2,0,0]=4 1250 B8R1.8 c1cc(sc1)CNN PB12479 [1,0,0,0,1,0|2,0,0]=4 1251 B8R1.8 c1ccn(c1)CCBr MB00850 [1,0,0,0,1,0|2,0,0]=4 1252 B8R1.8 c1cn(cn1)CCN AB13191 [1,0,0,0,1,0|2,0,0]=4 1253 B8R1.8 c1cnn(c1)CCN AB15836 [1,0,0,0,1,0|2,0,0]=4 1254 B8R1.8 c1csc(n1)CCN AB28436 [1,0,0,0,1,0|2,0,0]=4 1255 B8R1.8 c1csc(n1)CCN AB43209 [1,0,0,0,1,0|2,0,0]=4 1256 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,1,0|1,0,0]=3 1257 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|2,0,0]=4 1258 B8R1.8 c1cscc1CNN PB25191 [1,0,0,0,1,0|2,0,0]=4 1259 B8R1.11 c1csc(c1Br)CN PB34113 [1,0,0,0,1,0|1,1,0]=4 1260 B8R1.11 c1csc(c1Cl)CN PB11803 [1,0,0,0,1,0|1,0,0]=3 1261 B8R1.11 c1csc(c1Cl)CO PB23440 [1,0,0,0,1,0|2,0,0]=4