0 B10R1.20 C#Cc1ccccc1C=O AB17472 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.20 COc1c(cccn1)C#C AB69070 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.20 COc1c(cccn1)C#N PB30871 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.20 COc1c(cccn1)C=O PB26137 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.20 COc1c(cccn1)CCl AB54482 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.20 COc1c(cccn1)CN PB10680 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.20 COc1c(cccn1)CN PB15194 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.20 COc1c(cccn1)CO PB20446 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.20 COc1c(nccn1)C#N AB22503 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.20 COc1c(nccn1)C=O AB55611 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.20 COc1ccccc1C#N AB00156 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.20 COc1ccccc1C=O AB00311 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.20 COc1cccnc1C#N AB40617 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.20 COc1cccnc1C=O AB22246 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.20 COc1cccnc1CCl AB60052 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.20 COc1cccnc1CN AB40619 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.20 COc1cccnc1CO MB05449 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.20 COc1cccnc1OC AB13430 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.20 COc1ccncc1C#C AB69060 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.20 COc1ccncc1C=O AB17569 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.20 COc1ccncc1CCl AB68800 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.20 COc1ccncc1CN AB67859 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.20 COc1cnccc1C#C AB69090 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.20 COc1cnccc1C=O AB17541 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.20 COc1cnccc1CCl AB67554 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.20 COc1cnccc1CN AB63142 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.20 COc1cncnc1C#N AB65904 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.20 CSc1c(cccn1)C=O MB07044 [0,0,0,0,0,0|3,1,0]=4 28 B10R1.20 CSc1c(cccn1)CO MB07043 [0,0,0,0,0,0|3,1,0]=4 29 B9R1.15 C#Cc1ccccc1Br AB10375 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.15 C#Cc1cccnc1O AB69073 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.15 CCc1c(cccn1)Br AB68544 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 CCc1c(cccn1)O MB01433 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.15 CCc1ccncc1O MB12325 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.15 CCc1cnccc1Br PB37149 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.15 CCc1cnccc1O MB24095 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.15 CNc1cccnc1Br AB39252 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.15 CNc1ccncc1O MB27525 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.15 CNc1cnccc1O MB29366 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.15 COc1c(cccn1)Br PB20024 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.15 COc1c(cccn1)Cl AB13603 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.15 COc1c(cccn1)F AB13397 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.15 COc1c(cccn1)I AB13400 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.15 COc1c(cccn1)N AB07386 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.15 COc1c(cccn1)O AB06074 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.15 COc1c(nccn1)Cl MB02506 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.15 COc1c(nccn1)N AB22450 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.15 COc1cccnc1Br PB29151 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.15 COc1cccnc1Cl AB14749 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.15 COc1cccnc1I AB05182 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.15 COc1cccnc1N AB40614 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.15 COc1cccnc1O AB43293 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.15 COc1ccncc1Br AB22230 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.15 COc1ccncc1Cl AB51203 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.15 COc1ccncc1F AB66775 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.15 COc1ccncc1I AB09106 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.15 COc1ccncc1N AB40817 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 COc1ccncc1O MB09117 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.15 COc1cnccc1Br AB43705 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.15 COc1cnccc1Br MB09674 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.15 COc1cnccc1Cl AB66368 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 COc1cnccc1F AB66590 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 COc1cnccc1N AB55709 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 COc1cnccc1O MB25455 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.15 CSc1c(cccn1)O MB01598 [1,0,0,0,0,0|1,1,0]=3 65 B9R1.15 CSc1cccnc1Br MB13966 [1,0,0,0,0,0|2,1,0]=4 66 B9R1.15 CSc1ccncc1O MB25632 [1,0,0,0,0,0|1,1,0]=3 67 B9R1.15 CSc1cnccc1O MB31499 [1,0,0,0,0,0|1,1,0]=3 68 B9R1.15 Cc1c(cccn1)C#C AB66573 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.15 Cc1c(cccn1)C#N PB23449 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.15 Cc1c(cccn1)CN AB14093 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 Cc1c(cccn1)CO AB01512 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.15 Cc1c(cccn1)OC AB03569 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.15 Cc1cccnc1C=O PB14292 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.15 Cc1cccnc1CCl PB32645 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.15 Cc1cccnc1CN AB20671 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.15 Cc1cccnc1CO AB12590 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.15 Cc1cccnc1OC AB31414 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.15 Cc1ccncc1C#C AB66569 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.15 Cc1ccncc1C#N PB24636 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.15 Cc1ccncc1C=O PB23498 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.15 Cc1ccncc1CCl PB22427 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 Cc1ccncc1CN PB14440 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.15 Cc1ccncc1CO PB21746 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.15 Cc1cnccc1C#C AB66570 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.15 Cc1cnccc1C#N PB23623 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 Cc1cnccc1C=O AB11481 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.15 Cc1cnccc1CCl PB24122 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.15 Cc1cnccc1CN AB17090 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.15 Cc1cnccc1CO PB32359 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.15 c1cncc(c1C#N)O MB12322 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 c1cncc(c1C=O)O AB08714 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 c1cncc(c1CN)O MB09249 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 c1cncc(c1O)C#N MB01597 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.15 c1cncc(c1O)C=O AB59870 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.15 c1cncc(c1O)CN MB35531 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.37 CCc1cc(ccc1C#N)O MB23725 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.37 CCc1cc(ccc1C=O)O MB23751 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.37 CCc1cc(ccc1CN)O MB23752 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.37 CCc1cc(ccc1NC)O MB23761 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.37 CCc1cc(ccc1OC)O MB13572 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.37 CCc1cc(ccc1SC)O MB23769 [0,1,0,0,0,0|1,1,0]=3 115 B11R1.37 CCc1ccc(cc1C#N)O MB23915 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.37 CCc1ccc(cc1C=O)O MB23937 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.37 CCc1ccc(cc1CC)O MB23941 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.37 CCc1ccc(cc1CN)O MB23942 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.37 CCc1ccc(cc1NC)O MB23952 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.37 CCc1ccc(cc1OC)O MB23954 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.37 CCc1ccc(cc1SC)O MB23964 [0,1,0,0,0,0|1,1,0]=3 122 B11R1.37 CNc1c(nc(cn1)Br)OC MB19790 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.37 CNc1cc(ccc1C#N)O MB33299 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.37 CNc1cc(ccc1C=O)O MB38802 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.37 CNc1cc(ccc1CN)O MB25975 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.37 CNc1cc(ccc1OC)O MB27280 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.37 CNc1cc(ccc1SC)O MB34610 [0,1,0,0,0,0|1,1,0]=3 128 B11R1.37 CNc1cc(cnc1OC)Br AB40963 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.37 CNc1ccc(cc1C#N)O MB38837 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.37 CNc1ccc(cc1C=O)O MB25553 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.37 CNc1ccc(cc1CN)Cl AB52940 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.37 CNc1ccc(cc1CN)O MB38111 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.37 CNc1ccc(cc1NC)O MB29942 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.37 CNc1ccc(cc1OC)O MB33444 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.37 CNc1ccc(cc1SC)O MB28485 [0,1,0,0,0,0|1,1,0]=3 136 B11R1.37 COc1c(cc(cn1)Br)C#N PB25175 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.37 COc1c(cc(cn1)Br)C=O PB24869 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.37 COc1c(cc(cn1)Br)CN PB27036 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.37 COc1c(cc(cn1)Br)CO PB19176 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.37 COc1c(cc(cn1)F)C=O AB20973 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.37 COc1c(cc(cn1)F)CN AB74754 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.37 COc1c(ccc(n1)Br)C=O AB67010 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.37 COc1c(ccc(n1)Cl)C=O AB64671 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.37 COc1cc(ccc1C#N)Br AB27561 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.37 COc1cc(ccc1C#N)O MB06526 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.37 COc1cc(ccc1CN)O MB05069 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.37 COc1cc(ncc1C=O)Br AB67865 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.37 COc1ccc(cc1C#N)O MB32417 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.37 COc1ccc(cc1C=O)I AB20799 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.37 COc1ccc(cc1CCl)Br AB44028 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.37 COc1ccc(cc1CN)I AB44528 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.37 COc1ccc(cc1CN)O MB28958 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.37 COc1ccc(cc1CO)Br MB00140 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.37 COc1ccc(cc1SC)O MB31332 [0,1,0,0,0,0|0,1,0]=2 156 B11R1.37 COc1cnc(cc1C=O)Br AB75347 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.37 COc1cnc(cc1C=O)Cl AB67541 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.37 CSc1cc(ccc1C#N)O MB38068 [0,1,0,0,0,0|2,1,0]=4 159 B11R1.37 CSc1cc(ccc1C=O)O MB34891 [0,1,0,0,0,0|2,1,0]=4 160 B11R1.37 CSc1cc(ccc1CN)O MB26243 [0,1,0,0,0,0|2,1,0]=4 161 B11R1.37 CSc1ccc(cc1C#N)O MB29644 [0,1,0,0,0,0|2,1,0]=4 162 B11R1.37 CSc1ccc(cc1C=O)O MB28246 [0,1,0,0,0,0|2,1,0]=4 163 B11R1.37 CSc1ccc(cc1CN)O MB36837 [0,1,0,0,0,0|2,1,0]=4 164 B11R1.37 CSc1ccc(cc1SC)O MB28889 [0,1,0,0,0,0|0,2,0]=3 165 B11R1.41 CCCc1ccccc1NN AB27885 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.41 CCOc1c(cccn1)C#C AB69075 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.41 CCOc1c(cccn1)C=O AB30394 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.41 CNCc1cnccc1OC AB67885 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.41 COc1c(cccn1)CCN AB45444 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.41 COc1ccccc1CC=O AB02842 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.41 COc1ccccc1CNN PB34218 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.41 COc1ccncc1CCN AB45493 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.41 COc1cnccc1CCN AB67567 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.53 B(c1c(cccn1)OC)(O)O AB31194 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.53 B(c1ccccc1CC)(O)O AB10774 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.53 B(c1ccccc1OC)(O)O AB05344 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.53 B(c1ccccc1SC)(O)O AB08660 [0,1,0,0,0,0|2,1,0]=4 178 B11R1.53 B(c1cccnc1OC)(O)O AB14155 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.53 B(c1cccnc1OC)(O)O AB40865 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.53 B(c1ccncc1OC)(O)O AB30105 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.53 B(c1ccncc1OC)(O)O AB42657 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.53 B(c1cnccc1OC)(O)O AB08335 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.53 B(c1cnccc1OC)(O)O AB17840 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.53 B(c1cnccc1OC)(O)O AB30564 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.53 CC(=O)c1cnccc1OC AB67883 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.53 CC(c1cnccc1OC)N AB67900 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.53 CCc1ccccc1C(=S)N AB26904 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.53 COc1ccccc1C(=N)N AB27551 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.53 COc1ccccc1C(=S)N AB21279 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.53 COc1cccnc1C(=O)O MB04405 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.53 COc1cccnc1[N+](=O)[O-] AB04964 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.53 COc1ccncc1C(=O)O AB20474 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.53 COc1cnccc1C(=O)O AB32050 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.265 CCc1c(cccc1O)C#N MB23560 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.265 CCc1c(cccc1O)C=O MB23582 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.265 CCc1c(cccc1O)CN MB23584 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.265 CCc1c(cccc1O)NC MB23593 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.265 CCc1c(cccc1OC)O MB23601 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.265 CCc1c(cccc1SC)O MB23611 [0,1,0,0,0,0|1,1,0]=3 203 B11R1.265 CCc1cccc(c1C#N)O MB24031 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.265 CCc1cccc(c1C=O)O MB24050 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.265 CCc1cccc(c1CC)O MB24051 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.265 CCc1cccc(c1CN)O MB24052 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.265 CCc1cccc(c1NC)O MB24062 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.265 CCc1cccc(c1OC)O MB24065 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.265 CCc1cccc(c1SC)O MB24077 [0,1,0,0,0,0|1,1,0]=3 210 B11R1.265 CNc1c(cccc1O)CN MB30193 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.265 CNc1c(cccc1OC)O MB35055 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.265 CNc1c(cccc1SC)O MB30027 [0,1,0,0,0,0|1,1,0]=3 213 B11R1.265 CNc1cccc(c1CN)O MB33011 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.265 CNc1cccc(c1NC)O MB36957 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.265 CNc1cccc(c1OC)O MB37522 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.265 CNc1cccc(c1SC)O MB32690 [0,1,0,0,0,0|1,1,0]=3 217 B11R1.265 COc1c(c(ccn1)Br)C=O AB67012 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.265 COc1c(c(ccn1)Cl)C=O AB67001 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.265 COc1c(c(ccn1)I)C=O AB21739 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.265 COc1c(c(ccn1)N)C=O AB71832 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.265 COc1c(c(ccn1)O)C=O AB74865 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.265 COc1c(cccc1Br)C#N CB11301 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.265 COc1c(cccc1O)C#N MB35446 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.265 COc1c(cccc1O)C=O MB03871 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.265 COc1c(cccc1O)CN MB27427 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.265 COc1cccc(c1C#N)O MB28346 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.265 COc1cccc(c1C=O)Br MB05120 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.265 COc1cccc(c1C=O)I AB18152 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.265 COc1ccnc(c1C#N)Br AB22451 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.265 COc1ccnc(c1C#N)Cl AB07883 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.265 COc1ccnc(c1C#N)N AB07879 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.265 COc1ccnc(c1C#N)O AB43127 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.265 COc1ccnc(c1C=O)Br AB67866 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.265 COc1ccnc(c1C=O)N AB83696 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.265 COc1ccnc(c1C=O)O AB84483 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.265 COc1ccnc(c1OC)Cl AB14219 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.265 COc1cncc(c1C=O)Cl AB55036 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.265 COc1cncc(c1C=O)N AB83606 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.265 COc1cncc(c1C=O)O AB84383 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.265 CSc1c(cccc1O)C#N MB37108 [0,1,0,0,0,0|2,1,0]=4 241 B11R1.265 CSc1c(cccc1O)C=O MB26872 [0,1,0,0,0,0|2,1,0]=4 242 B11R1.265 CSc1c(cccc1O)CN MB33464 [0,1,0,0,0,0|2,1,0]=4 243 B11R1.265 CSc1cccc(c1C#N)O MB31676 [0,1,0,0,0,0|2,1,0]=4 244 B11R1.265 CSc1cccc(c1C=O)O MB27306 [0,1,0,0,0,0|2,1,0]=4 245 B11R1.265 CSc1cccc(c1CN)O MB30038 [0,1,0,0,0,0|2,1,0]=4 246 B11R1.265 Cc1cccc(c1C#N)OC MB08904 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [0,1,0,0,0,0|2,0,0]=3 248 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,1,0,0|2,0,0]=3 250 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,0,0,1,0,0|3,0,0]=4 251 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,1,0,0|3,0,0]=4 252 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,0,0,1,0,0|3,0,0]=4 253 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|2,0,0]=3 254 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,1,0,0|2,0,0]=3 255 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,1,0,0|3,0,0]=4 259 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,0,0,1,0,0|2,0,1]=4 260 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,0,0,1,0,0|3,0,0]=4 261 B11R2.20 c1cc2c(nc1)CCCN2 AB45266 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.20 c1cc2c(nc1)NCCN2 MB05240 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,0,0,1,0,0|2,0,0]=3 264 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,0,0,1,0,0|2,0,0]=3 265 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,0,0,1,0,0|3,0,0]=4 266 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,0,0,1,0,0|1,0,0]=2 267 B11R2.20 c1cncc2c1CCCN2 AB64133 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.20 c1cncc2c1NCCC2 AB43638 [0,0,0,1,0,0|3,0,0]=4 269 B11R2.20 c1cncc2c1NCCO2 AB66612 [0,0,0,1,0,0|2,0,0]=3 270 B11R2.20 c1cncc2c1OCCN2 AB43406 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 COc1cccnn1 AB05130 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.2 COc1ccnnc1 AB44150 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.5 Cc1c(cccn1)Br PB27472 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.5 Cc1c(cccn1)Cl AB17903 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.5 Cc1c(cccn1)F AB48604 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.5 Cc1c(cccn1)N PB33695 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.5 Cc1c(cccn1)O PB18442 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.5 Cc1c(nccn1)O PB12942 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.5 Cc1cccnc1Br AB05448 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.5 Cc1cccnc1Cl AB05179 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.5 Cc1cccnc1N AB17908 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.5 Cc1cccnc1O AB03538 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.5 Cc1ccncc1Br AB03104 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.5 Cc1ccncc1Cl AB18019 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.5 Cc1ccncc1F AB18002 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.5 Cc1ccncc1N PB14127 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.5 Cc1ccncc1O PB23391 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.5 Cc1cnccc1Br AB20846 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.5 Cc1cnccc1Br PB23248 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.5 Cc1cnccc1Cl AB11511 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.5 Cc1cnccc1F AB18013 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.5 Cc1cnccc1N PB17234 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.5 Cc1cncnc1O AB09558 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.5 c1cc(c(nc1)Br)O PB28951 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.5 c1cc(c(nc1)I)O MB00322 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.5 c1cc(c(nc1)N)O AB00700 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.5 c1cc(c(nc1)N)O AB17906 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.5 c1cc(c(nc1)O)Br PB12284 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.5 c1cc(c(nc1)O)F AB13427 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.5 c1cc(c(nc1)O)I AB53303 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.5 c1cc(c(nc1)O)N PB30752 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.5 c1cncc(c1Br)O AB13187 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.5 c1cncc(c1Cl)O AB12281 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.5 c1cncc(c1F)O AB64515 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.5 c1cncc(c1I)O MB06807 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.5 c1cncc(c1O)Br AB09574 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.5 c1cncc(c1O)F AB18011 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.2 CCc1cccc(c1Br)O MB24080 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.2 CCc1cccc(c1C)O MB24030 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.2 CCc1cccc(c1Cl)O MB24081 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.2 CCc1cccc(c1F)O MB24054 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.2 CCc1cccc(c1I)O MB24055 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.2 CCc1cccc(c1N)O MB24059 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.2 CCc1cccc(c1O)Br MB02008 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.2 CCc1cccc(c1O)Cl MB02005 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.2 CCc1cccc(c1O)F MB24014 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.2 CCc1cccc(c1O)I MB24016 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.2 CCc1cccc(c1O)N MB24022 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.2 CNc1cccc(c1Br)O MB28270 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.2 CNc1cccc(c1Cl)O MB26964 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.2 CNc1cccc(c1F)O MB34647 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.2 CNc1cccc(c1I)O MB29498 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.2 CNc1cccc(c1N)O MB33054 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.2 CNc1cccc(c1O)Br MB26263 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.2 CNc1cccc(c1O)Cl MB33654 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.2 CNc1cccc(c1O)F MB28274 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.2 CNc1cccc(c1O)I MB32214 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.2 CNc1cccc(c1O)N MB33525 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.2 COc1c(c(ccn1)I)F AB71332 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.2 COc1c(c(ccn1)N)F AB70892 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.2 COc1c(c(ccn1)N)N AB56399 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.2 COc1cccc(c1Br)O MB06929 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.2 COc1cccc(c1Cl)N PB11874 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.2 COc1cccc(c1Cl)O MB06074 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.2 COc1cccc(c1F)O MB09318 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.2 COc1cccc(c1I)O MB14766 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.2 COc1cccc(c1N)O MB12204 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.2 COc1cccc(c1O)Br PB18847 [1,1,0,0,0,0|0,0,0]=2 349 B10R1.2 COc1cccc(c1O)Cl MB25402 [1,1,0,0,0,0|0,0,0]=2 350 B10R1.2 COc1cccc(c1O)I MB09225 [1,1,0,0,0,0|0,0,0]=2 351 B10R1.2 COc1cccc(c1O)N MB25613 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.2 COc1ccnc(c1Cl)N AB70635 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.2 COc1ccnc(c1Cl)O AB71172 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.2 COc1ccnc(c1I)N AB48785 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.2 COc1ccnc(c1N)Cl AB62572 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.2 COc1ccnc(c1O)Cl AB71167 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.2 COc1cncc(c1Cl)N AB64859 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.2 COc1cncc(c1Cl)O AB75741 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.2 COc1cncc(c1N)Cl AB75723 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.2 COc1cncc(c1O)Cl AB75737 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.2 CSc1cccc(c1Br)O MB26789 [1,1,0,0,0,0|1,1,0]=4 362 B10R1.2 CSc1cccc(c1Cl)O MB33312 [1,1,0,0,0,0|1,1,0]=4 363 B10R1.2 CSc1cccc(c1F)O MB25404 [1,1,0,0,0,0|1,1,0]=4 364 B10R1.2 CSc1cccc(c1I)O MB31760 [1,1,0,0,0,0|1,1,0]=4 365 B10R1.2 CSc1cccc(c1N)O MB32351 [1,1,0,0,0,0|1,1,0]=4 366 B10R1.2 CSc1cccc(c1O)Cl MB27718 [1,1,0,0,0,0|0,1,0]=3 367 B10R1.2 CSc1cccc(c1O)F MB25614 [1,1,0,0,0,0|0,1,0]=3 368 B10R1.2 CSc1cccc(c1O)I MB28360 [1,1,0,0,0,0|0,1,0]=3 369 B10R1.2 CSc1cccc(c1O)N MB28757 [1,1,0,0,0,0|0,1,0]=3 370 B10R1.2 Cc1c(cccc1Br)C#N CB11199 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.2 Cc1c(cccc1O)C#N MB02463 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.2 Cc1c(cccc1O)C=O MB08410 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.2 Cc1c(cccc1O)NC MB37053 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.2 Cc1c(cccc1OC)O MB09432 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.2 Cc1c(cccc1SC)O MB35924 [1,1,0,0,0,0|0,1,0]=3 376 B10R1.2 Cc1c(cncc1OC)N CB11797 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.2 Cc1cccc(c1N)OC AB02877 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.2 Cc1cccc(c1O)C#N MB07838 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.2 Cc1cccc(c1O)CN MB05058 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.2 Cc1cccc(c1O)NC MB31993 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.2 Cc1cccc(c1O)SC MB31066 [1,1,0,0,0,0|0,1,0]=3 382 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.4 CCOc1ccncc1Br MB01009 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.4 Cc1ccncc1CNC AB67828 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.25 CNc1ccc(cc1F)O MB31256 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.25 CNc1ccc(cc1I)O MB37121 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.25 CNc1ccc(cc1N)O MB30558 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.25 COc1c(cc(cn1)Br)Cl AB20950 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.25 COc1c(cc(cn1)Br)F AB17621 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.25 COc1c(cc(cn1)Br)I AB21850 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.25 COc1c(cc(cn1)Br)N PB15873 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.25 COc1c(cc(cn1)Cl)Br AB43095 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 COc1c(cc(cn1)Cl)F AB41066 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.25 COc1c(cc(cn1)Cl)N AB41036 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.25 COc1c(cc(cn1)F)N AB75363 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.25 COc1c(cc(cn1)N)Cl AB70284 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 COc1c(cc(cn1)N)F AB40818 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 COc1c(cc(cn1)O)F AB70291 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.25 COc1ccc(cc1F)Br AB01075 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.25 COc1ccc(cc1I)O MB26647 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.25 COc1ccc(cc1N)O MB34521 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,1,0,0,0,0|0,0,0]=2 443 B10R1.25 COc1ccc(cc1O)I MB38179 [1,1,0,0,0,0|0,0,0]=2 444 B10R1.25 COc1ccc(nc1Br)N AB26774 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.25 COc1ccc(nc1Cl)N AB40624 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.25 COc1cnc(cc1Cl)N PB15356 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.25 COc1cnc(cc1O)Cl AB69306 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.25 CSc1ccc(cc1Br)O MB25524 [1,1,0,0,0,0|1,1,0]=4 449 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [1,1,0,0,0,0|1,1,0]=4 450 B10R1.25 CSc1ccc(cc1F)O MB25544 [1,1,0,0,0,0|1,1,0]=4 451 B10R1.25 CSc1ccc(cc1N)O MB34593 [1,1,0,0,0,0|1,1,0]=4 452 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,1,0,0,0,0|0,1,0]=3 453 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,1,0,0,0,0|0,1,0]=3 454 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,1,0,0,0,0|0,1,0]=3 455 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,1,0,0,0,0|0,1,0]=3 456 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.25 Cc1c(ncc(n1)Br)OC AB85717 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.25 Cc1cc(ccc1C#N)Cl MB00421 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.25 Cc1cc(ccc1NC)O MB05083 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,1,0,0,0,0|0,0,0]=2 465 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.25 Cc1cc(cnc1OC)N AB20996 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,1,0,0,0,0|0,1,0]=3 472 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.30 CCc1cc(ccc1Br)O MB23770 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.30 CCc1cc(ccc1F)O MB23754 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.30 CCc1cc(ccc1I)O MB09270 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.30 CCc1cc(ccc1N)O MB23757 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.30 CNc1cc(ccc1F)O MB28645 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.30 CNc1cc(ccc1I)O MB33108 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.30 CNc1cc(ccc1N)O MB33092 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.30 COc1c(ccc(n1)Br)F AB74998 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.30 COc1c(ccc(n1)I)Br AB73529 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.30 COc1c(ccc(n1)N)F AB76983 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.30 COc1cc(ccc1Br)O MB00359 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.30 COc1cc(ccc1Cl)O MB25434 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.30 COc1cc(ccc1F)O MB08744 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.30 COc1cc(ccc1I)Br CB11560 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.30 COc1cc(ccc1I)O MB29625 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.30 COc1cc(ccc1N)F MB00562 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.30 COc1cc(ccc1N)O MB01122 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,1,0,0,0,0|0,0,0]=2 516 B10R1.30 COc1cc(ccc1O)I MB05217 [1,1,0,0,0,0|0,0,0]=2 517 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.30 COc1cc(cnc1Cl)F AB74801 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.30 COc1cc(ncc1Cl)N AB70478 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.30 CSc1cc(ccc1Br)O MB38334 [1,1,0,0,0,0|1,1,0]=4 521 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [1,1,0,0,0,0|1,1,0]=4 522 B10R1.30 CSc1cc(ccc1F)O MB25679 [1,1,0,0,0,0|1,1,0]=4 523 B10R1.30 CSc1cc(ccc1I)O MB30001 [1,1,0,0,0,0|1,1,0]=4 524 B10R1.30 CSc1cc(ccc1N)O MB25516 [1,1,0,0,0,0|1,1,0]=4 525 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,1,0,0,0,0|0,1,0]=3 526 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,1,0,0,0,0|0,1,0]=3 527 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,1,0,0,0,0|0,1,0]=3 528 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,1,0,0,0,0|0,1,0]=3 529 B10R1.30 Cc1cc(c(cn1)Br)OC AB40816 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,1,0,0,0,0|0,1,0]=3 532 B10R1.30 Cc1ccc(cc1C#N)O MB23451 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.30 Cc1ccc(cc1CN)O MB26411 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.30 Cc1ccc(cc1NC)O MB36159 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.30 Cc1ccc(cc1OC)O MB25418 [1,1,0,0,0,0|0,0,0]=2 540 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.61 B(c1ccccc1C)(O)O AB03348 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.61 B(c1ccccc1O)(O)O AB08053 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.61 CC(C)c1ccncc1O MB22678 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.61 CC(C)c1cnccc1O MB22684 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.61 CN(C)c1c(cccn1)O MB24991 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.61 CN(C)c1ccccc1O MB08302 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.61 CN(C)c1ccncc1O MB24982 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.61 CN(C)c1cnccc1O MB24989 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.61 Cc1ccccc1C(=N)N AB18273 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.61 Cc1ccccc1C(=S)N AB16881 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.61 Cc1ccncc1C(=O)C AB45306 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.61 Cc1ccncc1C(C)N AB67850 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.245 CCc1c(cccc1Br)O MB23614 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.245 CCc1c(cccc1Cl)O MB23615 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.245 CCc1c(cccc1F)O MB23585 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.245 CCc1c(cccc1I)O MB23587 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.245 CCc1c(cccc1O)C MB23554 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.245 CCc1c(cccc1O)N MB23558 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.245 CNc1c(cccc1Br)O MB31500 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.245 CNc1c(cccc1Cl)O MB33359 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.245 CNc1c(cccc1F)O MB29137 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.245 CNc1c(cccc1I)O MB30346 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.245 CNc1c(cccc1O)N MB01610 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.245 COc1c(cccc1Br)F AB21504 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.245 COc1c(cccc1Br)O MB09199 [1,1,0,0,0,0|0,0,0]=2 580 B10R1.245 COc1c(cccc1Cl)O MB34190 [1,1,0,0,0,0|0,0,0]=2 581 B10R1.245 COc1c(cccc1F)N MB00204 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.245 COc1c(cccc1I)O MB33689 [1,1,0,0,0,0|0,0,0]=2 583 B10R1.245 COc1c(cccc1O)N MB14425 [1,1,0,0,0,0|0,0,0]=2 584 B10R1.245 CSc1c(cccc1Br)O MB32344 [1,1,0,0,0,0|0,1,0]=3 585 B10R1.245 CSc1c(cccc1Cl)O MB25403 [1,1,0,0,0,0|0,1,0]=3 586 B10R1.245 CSc1c(cccc1I)O MB36697 [1,1,0,0,0,0|0,1,0]=3 587 B10R1.245 CSc1c(cccc1O)N MB26572 [1,1,0,0,0,0|0,1,0]=3 588 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.245 Cc1cccc(c1C#N)O MB02406 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.245 Cc1cccc(c1C=O)O MB14829 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.245 Cc1cccc(c1CCl)C AB08451 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.245 Cc1cccc(c1CN)O MB25667 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.245 Cc1cccc(c1CO)C AB03562 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.245 Cc1cccc(c1OC)O MB33579 [1,1,0,0,0,0|0,0,0]=2 595 B10R1.245 Cc1cccc(c1SC)O MB08534 [1,1,0,0,0,0|0,1,0]=3 596 B10R1.245 c1cc(c(c(c1)Br)C#N)O MB12048 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.245 c1cc(c(c(c1)Br)C=O)O AB43626 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.245 c1cc(c(c(c1)Br)CN)O MB12052 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.245 c1cc(c(c(c1)Cl)C#N)O PB19932 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.245 c1cc(c(c(c1)Cl)C=O)O MB01945 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.245 c1cc(c(c(c1)Cl)CN)O MB15041 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.245 c1cc(c(c(c1)F)C=O)O MB01694 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.245 c1cc(c(c(c1)F)CN)O MB03739 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.245 c1cc(c(c(c1)I)C#N)O MB37282 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.245 c1cc(c(c(c1)I)C=O)O MB14699 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.245 c1cc(c(c(c1)I)CN)O MB31821 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.245 c1cc(c(c(c1)O)C#N)N MB34868 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.245 c1cc(c(c(c1)O)C=O)N MB27161 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.245 c1cc(c(c(c1)O)CN)N MB31845 [1,1,0,0,0,0|2,0,0]=4 610 B12R1.46 B(c1cc(ccc1OC)Br)(O)O AB03344 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.46 B(c1cc(ccc1OC)C)(O)O AB11186 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O AB08779 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.46 B(c1cc(ccc1OC)F)(O)O AB10385 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.46 B(c1cc(ccc1OC)O)(O)O AB32085 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.46 CC(=O)c1cc(ncc1OC)Br AB76400 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.46 CC(C)c1cc(ccc1NC)O MB36853 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.46 CC(C)c1cc(ccc1OC)O MB02677 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.46 CCc1ccc(cc1C(C)C)O MB23928 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.46 CCc1ccc(cc1N(C)C)O MB08304 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.46 CN(C)c1cc(ccc1SC)O MB27113 [0,2,0,0,0,0|1,1,0]=4 621 B12R1.46 CNc1ccc(cc1N(C)C)O MB32726 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.46 COc1ccc(cc1C(=O)N)O MB29478 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.46 COc1ccc(cc1C(=O)O)N AB50010 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.46 COc1ccc(cc1C(=O)O)O MB08752 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.46 Cc1cc(c(nc1)OC)C(=O)C AB70471 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.57 B(c1ccc(cc1OC)Br)(O)O CB11580 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.57 B(c1ccc(cc1OC)Cl)(O)O AB12616 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.57 B(c1ccc(cc1OC)F)(O)O AB15998 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.57 CC(=O)c1ccc(nc1OC)Cl AB64676 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.57 CC(C)c1ccc(cc1NC)O MB35650 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.57 CC(C)c1ccc(cc1OC)O MB33914 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.57 CC(C)c1ccc(cc1SC)O MB30926 [0,2,0,0,0,0|1,1,0]=4 633 B12R1.57 CCc1cc(ccc1C(C)C)O MB23739 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.57 CCc1cc(ccc1N(C)C)O MB23760 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.57 CN(C)c1ccc(cc1OC)O MB25710 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.57 CN(C)c1ccc(cc1SC)O MB32058 [0,2,0,0,0,0|1,1,0]=4 637 B12R1.57 CNc1cc(ccc1N(C)C)O MB34495 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.57 COc1cc(ccc1C(=O)N)O MB26783 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.57 COc1cc(ccc1C(=O)O)O MB03687 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F AB02974 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] AB00874 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.78 COc1cc(ccc1SC)C=O AB21299 [0,2,0,0,0,0|0,1,0]=3 643 B12R1.268 CCOc1cc(ccc1OC)Br CB11416 [0,2,0,0,0,0|0,0,0]=2 644 B12R1.448 COc1cc(c(cc1OC)Br)N MB06657 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.448 Cc1cc(c(cc1Cl)OC)C#N CB11428 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.75 CC(Cc1ccccc1OC)N MB01561 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.77 CNc1c(cccn1)C(=O)OC AB66270 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.77 COC(=O)c1ccccc1C#C AB65625 [0,2,0,0,0,0|1,0,1]=4 649 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.77 COc1c(cccn1)C(=O)OC PB12422 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.77 COc1ccccc1C(=N)OC AB60967 [0,2,0,0,0,0|0,0,0]=2 652 B12R1.77 COc1ccccc1C(=O)C=O AB29979 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.121 COc1c(cccn1)CCCN AB55116 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.121 COc1ccccc1CCC=O AB42265 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.121 COc1ccccc1CCCN AB07599 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.121 COc1ccncc1CCCN AB67903 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.283 B(c1ccccc1COC)(O)O AB14377 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.283 B(c1ccccc1OCC)(O)O AB06922 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.76 CC(C)(c1ccccc1OC)N AB54647 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.76 CC(C)(c1cccnc1OC)N AB67115 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.76 [B-](c1ccccc1OC)(F)(F)F AB20557 [0,2,0,0,0,0|2,0,0]=4 662 B12R1.87 B(c1cccc(c1OC)C)(O)O AB30192 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.87 B(c1cccc(c1OC)F)(O)O AB13708 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.87 CC(C)c1cccc(c1NC)O MB36681 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.87 CC(C)c1cccc(c1OC)N CB11258 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.87 CC(C)c1cccc(c1OC)O MB07580 [0,2,0,0,0,0|1,0,0]=3 667 B12R1.87 CC(C)c1cccc(c1SC)O MB32342 [0,2,0,0,0,0|1,1,0]=4 668 B12R1.87 CCc1c(cccc1O)C(C)C MB23571 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.87 CCc1c(cccc1O)N(C)C MB23589 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.87 CN(C)c1cccc(c1OC)O MB35089 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.87 CNc1c(cccc1O)N(C)C MB27511 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.87 COc1c(cccc1F)[N+](=O)[O-] MB03875 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.87 COc1c(cccc1O)C(=O)N MB38316 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.87 COc1c(cccc1O)C(=O)O MB03017 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.437 B(c1c(cccc1Cl)OC)(O)O AB17444 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.437 B(c1c(cccc1F)OC)(O)O AB11233 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.437 CC(=O)c1c(ccnc1O)OC AB84236 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.437 CC(=O)c1c(ccnc1OC)N AB83825 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.437 CC(=O)c1c(ccnc1OC)O AB74866 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.437 CC(=O)c1c(cncc1OC)N AB83769 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.437 CC(=O)c1c(cncc1OC)O AB84137 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.437 CC(C)c1c(cccc1O)NC MB36253 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.437 CC(C)c1c(cccc1OC)O MB31009 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.437 CC(C)c1c(cccc1SC)O MB26199 [0,2,0,0,0,0|1,1,0]=4 685 B12R1.437 CCc1cccc(c1C(C)C)O MB24041 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.437 CCc1cccc(c1N(C)C)O MB24061 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.437 CN(C)c1c(cccc1OC)O MB27761 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.437 CN(C)c1c(cccc1SC)O MB27708 [0,2,0,0,0,0|1,1,0]=4 689 B12R1.437 CNc1cccc(c1N(C)C)O MB29049 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.437 COc1cccc(c1C(=O)N)O MB30424 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.437 Cc1cccc(c1C(=O)O)OC MB01234 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.741 COc1c(ccc(c1C=O)F)Br MB07190 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.1879 COc1c(ccnc1OC)C=O AB59873 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.1879 COc1cccc(c1C#N)C=O MB08892 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.149 Cn1cccc1C(=O)OC CB10178 [0,0,1,1,0,0|2,0,0]=4 696 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|2,0,0]=4 697 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 698 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|2,0,0]=4 699 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,1,0,1,0,0|1,0,0]=3 700 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,1,0,1,0,0|1,0,0]=3 701 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [0,1,0,1,0,0|1,0,0]=3 703 B12R2.24 Cc1ccc2c(n1)NCCO2 AB29049 [0,1,0,1,0,0|2,0,0]=4 704 B12R2.24 c1c(cnc2c1CCCO2)Br AB71711 [0,1,0,1,0,0|2,0,0]=4 705 B12R2.24 c1c(cnc2c1NCCO2)Br AB70687 [0,1,0,1,0,0|2,0,0]=4 706 B12R2.24 c1c(cnc2c1NCCO2)Cl AB72676 [0,1,0,1,0,0|2,0,0]=4 707 B12R2.24 c1c(cnc2c1OCCN2)Br AB49126 [0,1,0,1,0,0|2,0,0]=4 708 B12R2.24 c1c(cnc2c1OCCN2)Cl AB72671 [0,1,0,1,0,0|2,0,0]=4 709 B12R2.24 c1c(cnc2c1OCCO2)Br AB70711 [0,1,0,1,0,0|1,0,0]=3 710 B12R2.24 c1cc(nc2c1OCCN2)Cl AB72713 [0,1,0,1,0,0|2,0,0]=4 711 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.24 c1cc2c(cc1Br)CCCN2 PB12808 [0,1,0,1,0,0|2,0,0]=4 713 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [0,1,0,1,0,0|1,0,0]=3 714 B12R2.24 c1cc2c(cc1Br)NCCC2 PB12525 [0,1,0,1,0,0|2,0,0]=4 715 B12R2.24 c1cc2c(cc1Br)NCCO2 AB45777 [0,1,0,1,0,0|1,0,0]=3 716 B12R2.24 c1cc2c(cc1Br)OCCN2 AB49667 [0,1,0,1,0,0|1,0,0]=3 717 B12R2.24 c1cc2c(cc1Br)OCCO2 AB01820 [0,1,0,1,0,0|0,0,0]=2 718 B12R2.24 c1cc2c(cc1Cl)CCCN2 MB06841 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.24 c1cc2c(cc1Cl)NCCC2 MB06330 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.24 c1cc2c(cc1Cl)NCCO2 AB45772 [0,1,0,1,0,0|1,0,0]=3 721 B12R2.24 c1cc2c(cc1Cl)OCCN2 AB30914 [0,1,0,1,0,0|1,0,0]=3 722 B12R2.24 c1cc2c(cc1F)CCCN2 MB06900 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [0,1,0,1,0,0|1,0,0]=3 724 B12R2.24 c1cc2c(cc1F)NCCO2 AB45774 [0,1,0,1,0,0|1,0,0]=3 725 B12R2.24 c1cc2c(cc1F)OCCN2 AB64780 [0,1,0,1,0,0|1,0,0]=3 726 B12R2.24 c1cc2c(cc1I)CCCN2 MB08861 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.24 c1cc2c(cc1I)NCCO2 MB06366 [0,1,0,1,0,0|1,0,0]=3 728 B12R2.24 c1cc2c(cc1N)CCCN2 AB50011 [0,1,0,1,0,0|2,0,0]=4 729 B12R2.24 c1cc2c(cc1N)NCCO2 AB44324 [0,1,0,1,0,0|1,0,0]=3 730 B12R2.24 c1cc2c(cc1N)OCCN2 AB49277 [0,1,0,1,0,0|1,0,0]=3 731 B12R2.24 c1cc2c(cc1O)NCCO2 AB06521 [0,1,0,1,0,0|1,0,0]=3 732 B12R2.24 c1cc2c(cc1O)NCCO2 MB00965 [0,1,0,1,0,0|1,0,0]=3 733 B12R2.24 c1cc2c(cc1O)OCCN2 MB09266 [0,1,0,1,0,0|1,0,0]=3 734 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,1,0,1,0,0|1,0,0]=3 735 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,1,0,1,0,0|1,1,0]=4 736 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,1,0,1,0,0|2,0,0]=4 737 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,1,0,1,0,0|1,0,0]=3 738 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,1,0,1,0,0|1,0,0]=3 739 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,1,0,1,0,0|1,0,1]=4 740 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [0,1,0,1,0,0|2,0,0]=4 743 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,1,0,0|1,0,1]=4 744 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [0,1,0,1,0,0|2,0,0]=4 745 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,1,0,1,0,0|2,0,0]=4 752 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.1 CNC1COc2c1cccn2 AB70122 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [0,1,0,1,0,0|1,0,0]=3 758 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.315 COc1c2c(ccn1)CNC2 AB77511 [0,1,0,1,0,0|2,0,0]=4 760 B12R2.315 COc1c2c(ccn1)NCC2 AB73029 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.315 COc1c2c(ccn1)cco2 PB29696 [0,1,0,1,0,0|1,0,1]=4 762 B12R2.315 COc1cccc2c1CNC2 AB63834 [0,1,0,1,0,0|1,0,0]=3 763 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.1081 c1cc(c2c(c1)NCCO2)N MB09299 [0,1,0,1,0,0|1,0,0]=3 765 B12R2.1081 c1cc(c2c(c1)OCCN2)N MB08294 [0,1,0,1,0,0|1,0,0]=3 766 B12R2.1081 c1cc(c2c(c1)OCCO2)N PB30774 [0,1,0,1,0,0|0,0,0]=2 767 B12R2.1081 c1cc(c2c(c1)OCCO2)O MB02241 [0,1,0,1,0,0|0,0,0]=2 768 B12R2.1081 c1cc2c(c(c1)Br)CCCC2 MB06103 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 PB31290 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.1081 c1cc2c(c(c1)Br)OCCN2 MB06348 [0,1,0,1,0,0|1,0,0]=3 771 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 MB06321 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.1081 c1cc2c(c(c1)Cl)OCCN2 MB06343 [0,1,0,1,0,0|1,0,0]=3 773 B12R2.1081 c1cc2c(c(c1)F)NCCO2 MB11311 [0,1,0,1,0,0|1,0,0]=3 774 B12R2.1081 c1cc2c(c(c1)F)OCCN2 MB06345 [0,1,0,1,0,0|1,0,0]=3 775 B12R2.1081 c1cc2c(c(c1)O)OCCN2 MB08144 [0,1,0,1,0,0|1,0,0]=3 776 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.1081 c1cc2c(nc1)OCCC2N AB70317 [0,1,0,1,0,0|2,0,0]=4 778 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,1,0,0|2,0,0]=4 779 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,1,0,0|1,0,0]=3 780 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,1,0,1,0,0|2,0,0]=4 781 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,1,0,1,0,0|1,0,0]=3 782 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,1,0,1,0,0|2,0,0]=4 784 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,1,0,1,0,0|1,0,0]=3 788 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,1,0,1,0,0|1,0,0]=3 789 B12R2.1081 c1cnc(c2c1NCCO2)Cl AB73008 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.1081 c1cnc2c(c1Br)OCCN2 AB77467 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.1081 c1cnc2c(c1Cl)OCCN2 AB77469 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.196 c1cc2c(c(c1)F)OCC2=O MB06387 [0,1,0,1,0,0|2,0,0]=4