0 B9R1.15 C#Cc1ccccc1Br AB10375 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.15 C#Cc1cccnc1Br AB69072 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 C#Cc1cccnc1Cl AB69069 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.15 C#Cc1cccnc1N AB66567 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.15 C#Cc1cccnc1O AB69073 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.15 C#Cc1ccncc1Cl AB69087 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.15 C#Cc1ccncc1F AB69094 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.15 C#Cc1ccncc1N AB69092 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.15 C#Cc1cnccc1Br AB69055 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.15 C#Cc1cnccc1Cl AB69058 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.15 CCc1c(cccn1)Br AB68544 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.15 CCc1c(cccn1)O MB01433 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.15 CCc1c(cncn1)F PB21906 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 CCc1ccncc1O MB12325 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.15 CCc1cnccc1Br PB37149 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 CCc1cnccc1O MB24095 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.15 CCc1cncnc1Cl AB62552 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 CNc1c(nccn1)Cl MB13992 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 CNc1cccnc1Br AB39252 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.15 CNc1ccncc1O MB27525 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.15 CNc1cnccc1O MB29366 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.15 CNc1cncnc1Cl AB65907 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.15 COc1c(cccn1)Br PB20024 [0,0,0,0,0,0|2,1,0]=3 23 B9R1.15 COc1c(cccn1)Cl AB13603 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.15 COc1c(cccn1)F AB13397 [0,0,0,0,0,0|2,1,0]=3 25 B9R1.15 COc1c(cccn1)I AB13400 [0,0,0,0,0,0|2,1,0]=3 26 B9R1.15 COc1c(cccn1)N AB07386 [0,0,0,0,0,0|2,1,0]=3 27 B9R1.15 COc1c(cccn1)O AB06074 [0,0,0,0,0,0|1,1,0]=2 28 B9R1.15 COc1c(nccn1)Cl MB02506 [0,0,0,0,0,0|3,1,0]=4 29 B9R1.15 COc1c(nccn1)N AB22450 [0,0,0,0,0,0|3,1,0]=4 30 B9R1.15 COc1cccnc1Br PB29151 [0,0,0,0,0,0|2,1,0]=3 31 B9R1.15 COc1cccnc1Cl AB14749 [0,0,0,0,0,0|2,1,0]=3 32 B9R1.15 COc1cccnc1I AB05182 [0,0,0,0,0,0|2,1,0]=3 33 B9R1.15 COc1cccnc1N AB40614 [0,0,0,0,0,0|2,1,0]=3 34 B9R1.15 COc1cccnc1O AB43293 [0,0,0,0,0,0|1,1,0]=2 35 B9R1.15 COc1ccncc1Br AB22230 [0,0,0,0,0,0|2,1,0]=3 36 B9R1.15 COc1ccncc1Cl AB51203 [0,0,0,0,0,0|2,1,0]=3 37 B9R1.15 COc1ccncc1F AB66775 [0,0,0,0,0,0|2,1,0]=3 38 B9R1.15 COc1ccncc1I AB09106 [0,0,0,0,0,0|2,1,0]=3 39 B9R1.15 COc1ccncc1N AB40817 [0,0,0,0,0,0|2,1,0]=3 40 B9R1.15 COc1ccncc1O MB09117 [0,0,0,0,0,0|1,1,0]=2 41 B9R1.15 COc1cnccc1Br AB43705 [0,0,0,0,0,0|2,1,0]=3 42 B9R1.15 COc1cnccc1Br MB09674 [0,0,0,0,0,0|2,1,0]=3 43 B9R1.15 COc1cnccc1Cl AB66368 [0,0,0,0,0,0|2,1,0]=3 44 B9R1.15 COc1cnccc1F AB66590 [0,0,0,0,0,0|2,1,0]=3 45 B9R1.15 COc1cnccc1N AB55709 [0,0,0,0,0,0|2,1,0]=3 46 B9R1.15 COc1cnccc1O MB25455 [0,0,0,0,0,0|1,1,0]=2 47 B9R1.15 CSc1c(cccn1)O MB01598 [0,0,0,0,0,0|1,0,0]=1 48 B9R1.15 CSc1cccnc1Br MB13966 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.15 CSc1ccncc1O MB25632 [0,0,0,0,0,0|1,0,0]=1 50 B9R1.15 CSc1cnccc1O MB31499 [0,0,0,0,0,0|1,0,0]=1 51 B9R1.15 Cc1c(cccn1)C#C AB66573 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.15 Cc1c(cccn1)C#N PB23449 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.15 Cc1c(cccn1)CN AB14093 [0,0,0,0,0,0|4,0,0]=4 58 B9R1.15 Cc1c(cccn1)CO AB01512 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.15 Cc1c(cccn1)OC AB03569 [0,0,0,0,0,0|2,1,0]=3 60 B9R1.15 Cc1cccnc1C=O PB14292 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.15 Cc1cccnc1CCl PB32645 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.15 Cc1cccnc1CN AB20671 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.15 Cc1cccnc1CO AB12590 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.15 Cc1cccnc1OC AB31414 [0,0,0,0,0,0|2,1,0]=3 65 B9R1.15 Cc1ccncc1C#C AB66569 [0,0,0,0,0,0|3,0,1]=4 66 B9R1.15 Cc1ccncc1C#N PB24636 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.15 Cc1ccncc1C=O PB23498 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.15 Cc1ccncc1CCl PB22427 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.15 Cc1ccncc1CN PB14440 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.15 Cc1ccncc1CO PB21746 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.15 Cc1cnccc1C#C AB66570 [0,0,0,0,0,0|3,0,1]=4 72 B9R1.15 Cc1cnccc1C#N PB23623 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.15 Cc1cnccc1C=O AB11481 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.15 Cc1cnccc1CCl PB24122 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.15 Cc1cnccc1CN AB17090 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.15 Cc1cnccc1CO PB32359 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.15 c1c(c(ncn1)O)C#N AB03209 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.15 c1cc(c(nc1)Br)C#N AB05139 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.15 c1cc(c(nc1)C#N)Br PB24769 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.15 c1cc(c(nc1)C#N)F PB17393 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.15 c1cc(c(nc1)C#N)N PB18562 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.15 c1cc(c(nc1)Cl)C#N AB01170 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.15 c1cc(c(nc1)N)C#N AB03606 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [0,0,0,0,0,0|3,0,0]=3 120 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [0,0,0,0,0,0|3,0,0]=3 121 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,0,0,0,0,0|3,0,0]=3 122 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [0,0,0,0,0,0|3,0,1]=4 123 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [0,0,0,0,0,0|3,0,0]=3 124 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,0,0,0,0,0|2,0,0]=2 125 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,0,0,0,0,0|2,0,0]=2 126 B9R1.15 c1cncc(c1Br)C#N AB48189 [0,0,0,0,0,0|4,0,0]=4 127 B9R1.15 c1cncc(c1Br)C=O AB25683 [0,0,0,0,0,0|4,0,0]=4 128 B9R1.15 c1cncc(c1Br)C=O AB53933 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.15 c1cncc(c1Br)CCl AB67965 [0,0,0,0,0,0|4,0,0]=4 130 B9R1.15 c1cncc(c1Br)CN AB67954 [0,0,0,0,0,0|4,0,0]=4 131 B9R1.15 c1cncc(c1C#N)Br AB05148 [0,0,0,0,0,0|4,0,0]=4 132 B9R1.15 c1cncc(c1C#N)Cl AB21895 [0,0,0,0,0,0|4,0,0]=4 133 B9R1.15 c1cncc(c1C#N)N AB16955 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.15 c1cncc(c1C#N)O MB12322 [0,0,0,0,0,0|3,0,0]=3 135 B9R1.15 c1cncc(c1C=O)Br PB17335 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.15 c1cncc(c1C=O)Cl AB23043 [0,0,0,0,0,0|4,0,0]=4 137 B9R1.15 c1cncc(c1C=O)F PB32422 [0,0,0,0,0,0|4,0,0]=4 138 B9R1.15 c1cncc(c1C=O)N PB20170 [0,0,0,0,0,0|4,0,0]=4 139 B9R1.15 c1cncc(c1C=O)O AB08714 [0,0,0,0,0,0|3,0,0]=3 140 B9R1.15 c1cncc(c1CCl)Br AB67648 [0,0,0,0,0,0|4,0,0]=4 141 B9R1.15 c1cncc(c1CCl)Cl AB67608 [0,0,0,0,0,0|4,0,0]=4 142 B9R1.15 c1cncc(c1CCl)F AB67665 [0,0,0,0,0,0|4,0,0]=4 143 B9R1.15 c1cncc(c1CN)Br AB63141 [0,0,0,0,0,0|4,0,0]=4 144 B9R1.15 c1cncc(c1CN)Cl AB63139 [0,0,0,0,0,0|4,0,0]=4 145 B9R1.15 c1cncc(c1CN)F AB63136 [0,0,0,0,0,0|4,0,0]=4 146 B9R1.15 c1cncc(c1CN)N AB49287 [0,0,0,0,0,0|4,0,0]=4 147 B9R1.15 c1cncc(c1CN)O MB09249 [0,0,0,0,0,0|3,0,0]=3 148 B9R1.15 c1cncc(c1CO)Br PB19192 [0,0,0,0,0,0|4,0,0]=4 149 B9R1.15 c1cncc(c1CO)F PB29849 [0,0,0,0,0,0|4,0,0]=4 150 B9R1.15 c1cncc(c1CO)N AB25787 [0,0,0,0,0,0|4,0,0]=4 151 B9R1.15 c1cncc(c1Cl)C#N AB43637 [0,0,0,0,0,0|4,0,0]=4 152 B9R1.15 c1cncc(c1Cl)C=O AB17590 [0,0,0,0,0,0|4,0,0]=4 153 B9R1.15 c1cncc(c1Cl)CCl AB60091 [0,0,0,0,0,0|4,0,0]=4 154 B9R1.15 c1cncc(c1Cl)CN AB49675 [0,0,0,0,0,0|4,0,0]=4 155 B9R1.15 c1cncc(c1F)C#N AB17580 [0,0,0,0,0,0|4,0,0]=4 156 B9R1.15 c1cncc(c1F)C=O AB32109 [0,0,0,0,0,0|4,0,0]=4 157 B9R1.15 c1cncc(c1F)CCl AB68054 [0,0,0,0,0,0|4,0,0]=4 158 B9R1.15 c1cncc(c1F)CN AB68023 [0,0,0,0,0,0|4,0,0]=4 159 B9R1.15 c1cncc(c1N)C#N AB16952 [0,0,0,0,0,0|4,0,0]=4 160 B9R1.15 c1cncc(c1N)C=O AB12471 [0,0,0,0,0,0|4,0,0]=4 161 B9R1.15 c1cncc(c1N)C=O PB27639 [0,0,0,0,0,0|4,0,0]=4 162 B9R1.15 c1cncc(c1N)CCl AB31893 [0,0,0,0,0,0|4,0,0]=4 163 B9R1.15 c1cncc(c1N)CO PB14435 [0,0,0,0,0,0|4,0,0]=4 164 B9R1.15 c1cncc(c1O)C#N MB01597 [0,0,0,0,0,0|3,0,0]=3 165 B9R1.15 c1cncc(c1O)C=O AB59870 [0,0,0,0,0,0|3,0,0]=3 166 B9R1.15 c1cncc(c1O)CN MB35531 [0,0,0,0,0,0|3,0,0]=3 167 B8R1.2 C#Cc1ccccn1 PB17077 [1,0,0,0,0,0|2,0,1]=4 168 B8R1.2 C#Cc1cccnc1 PB29186 [1,0,0,0,0,0|2,0,1]=4 169 B8R1.2 C#Cc1ccncc1 PB29291 [1,0,0,0,0,0|2,0,1]=4 170 B8R1.2 CNc1cccnc1 AB09114 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.2 CNc1ccncn1 AB60623 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.2 CNc1cncnc1 AB60774 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.2 CNc1ncccn1 AB05135 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.2 COc1cccnc1 AB06864 [1,0,0,0,0,0|1,1,0]=3 175 B8R1.2 COc1cccnn1 AB05130 [1,0,0,0,0,0|2,1,0]=4 176 B8R1.2 COc1ccnnc1 AB44150 [1,0,0,0,0,0|2,1,0]=4 177 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.2 c1cc(cnc1)CCl AB01984 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.2 c1cc(cnc1)CN AB00752 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.2 c1cc(cnc1)NN AB42924 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.2 c1cc(cnc1)NN PB18886 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.2 c1ccnc(c1)CBr MB02148 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.2 c1ccnc(c1)CCl AB22495 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.2 c1ccnc(c1)CN AB00731 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.2 c1cnccc1C=O AB00754 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.2 c1cnccc1CCl AB15539 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.2 c1cnccc1CN AB00767 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.2 c1cnccc1NN PB27392 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.2 c1cnccc1ON AB31585 [1,0,0,0,0,0|2,1,0]=4 191 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [1,0,0,0,0,0|1,0,2]=4 192 B8R1.5 Cc1c(cccn1)Br PB27472 [1,0,0,0,0,0|2,0,0]=3 193 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,0,0,0,0,0|2,0,0]=3 194 B8R1.5 Cc1c(cccn1)F AB48604 [1,0,0,0,0,0|2,0,0]=3 195 B8R1.5 Cc1c(cccn1)N PB33695 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.5 Cc1c(cccn1)O PB18442 [1,0,0,0,0,0|1,0,0]=2 197 B8R1.5 Cc1c(ccnn1)N MB11382 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.5 Cc1c(cncn1)Br PB26552 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.5 Cc1c(cncn1)N PB26435 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.5 Cc1c(nccn1)Br PB10597 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.5 Cc1c(nccn1)Cl PB18413 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.5 Cc1c(nccn1)I PB26409 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.5 Cc1c(nccn1)N PB32667 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.5 Cc1c(nccn1)O PB12942 [1,0,0,0,0,0|2,0,0]=3 205 B8R1.5 Cc1cccnc1Br AB05448 [1,0,0,0,0,0|2,0,0]=3 206 B8R1.5 Cc1cccnc1Cl AB05179 [1,0,0,0,0,0|2,0,0]=3 207 B8R1.5 Cc1cccnc1N AB17908 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.5 Cc1cccnc1O AB03538 [1,0,0,0,0,0|1,0,0]=2 209 B8R1.5 Cc1ccncc1Br AB03104 [1,0,0,0,0,0|2,0,0]=3 210 B8R1.5 Cc1ccncc1Cl AB18019 [1,0,0,0,0,0|2,0,0]=3 211 B8R1.5 Cc1ccncc1F AB18002 [1,0,0,0,0,0|2,0,0]=3 212 B8R1.5 Cc1ccncc1N PB14127 [1,0,0,0,0,0|2,0,0]=3 213 B8R1.5 Cc1ccncc1O PB23391 [1,0,0,0,0,0|1,0,0]=2 214 B8R1.5 Cc1ccnnc1Cl PB34304 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.5 Cc1ccnnc1N MB06298 [1,0,0,0,0,0|3,0,0]=4 216 B8R1.5 Cc1cnccc1Br AB20846 [1,0,0,0,0,0|2,0,0]=3 217 B8R1.5 Cc1cnccc1Br PB23248 [1,0,0,0,0,0|2,0,0]=3 218 B8R1.5 Cc1cnccc1Cl AB11511 [1,0,0,0,0,0|2,0,0]=3 219 B8R1.5 Cc1cnccc1F AB18013 [1,0,0,0,0,0|2,0,0]=3 220 B8R1.5 Cc1cnccc1N PB17234 [1,0,0,0,0,0|2,0,0]=3 221 B8R1.5 Cc1cncnc1Cl AB44072 [1,0,0,0,0,0|3,0,0]=4 222 B8R1.5 Cc1cncnc1N AB54983 [1,0,0,0,0,0|3,0,0]=4 223 B8R1.5 Cc1cncnc1O AB09558 [1,0,0,0,0,0|2,0,0]=3 224 B8R1.5 Cc1cnncc1N MB11384 [1,0,0,0,0,0|3,0,0]=4 225 B8R1.5 c1c(c(ncn1)O)Br PB32183 [1,0,0,0,0,0|3,0,0]=4 226 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [1,0,0,0,0,0|3,0,0]=4 227 B8R1.5 c1c(c(ncn1)O)I PB34035 [1,0,0,0,0,0|3,0,0]=4 228 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,0,0,0,0,0|3,0,0]=4 230 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,0,0,0,0,0|2,0,0]=3 235 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,0,0,0,0,0|3,0,0]=4 236 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,0,0,0,0,0|3,0,0]=4 237 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,0,0,0,0,0|3,0,0]=4 238 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,0,0,0,0,0|3,0,0]=4 240 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,0,0,0,0,0|2,0,0]=3 241 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,0,0,0,0,0|3,0,0]=4 242 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,0,0,0,0,0|3,0,0]=4 246 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,0,0,0,0,0|2,0,0]=3 247 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,0,0,0,0,0|3,0,0]=4 248 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,0,0,0,0,0|3,0,0]=4 249 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,0,0,0,0,0|2,0,0]=3 252 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,0,0,0,0,0|2,0,0]=3 253 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,0,0,0,0,0|2,0,0]=3 254 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,0,0,0,0,0|2,0,0]=3 255 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,0,0,0,0,0|2,0,0]=3 256 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,0,0,0,0,0|2,0,0]=3 257 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,0,0,0,0,0|2,0,0]=3 258 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [1,0,0,0,0,0|1,0,1]=3 259 B8R1.5 c1cncc(c1Br)Br AB05087 [1,0,0,0,0,0|3,0,0]=4 260 B8R1.5 c1cncc(c1Br)Cl AB17643 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.5 c1cncc(c1Br)F PB23387 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.5 c1cncc(c1Br)N AB17638 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.5 c1cncc(c1Br)O AB13187 [1,0,0,0,0,0|2,0,0]=3 264 B8R1.5 c1cncc(c1Cl)Br AB05074 [1,0,0,0,0,0|3,0,0]=4 265 B8R1.5 c1cncc(c1Cl)Cl AB10192 [1,0,0,0,0,0|3,0,0]=4 266 B8R1.5 c1cncc(c1Cl)F AB15511 [1,0,0,0,0,0|3,0,0]=4 267 B8R1.5 c1cncc(c1Cl)I AB05089 [1,0,0,0,0,0|3,0,0]=4 268 B8R1.5 c1cncc(c1Cl)N AB05299 [1,0,0,0,0,0|3,0,0]=4 269 B8R1.5 c1cncc(c1Cl)O AB12281 [1,0,0,0,0,0|2,0,0]=3 270 B8R1.5 c1cncc(c1F)Br AB17892 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.5 c1cncc(c1F)Cl AB21349 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.5 c1cncc(c1F)F AB18023 [1,0,0,0,0,0|3,0,0]=4 273 B8R1.5 c1cncc(c1F)N AB50028 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.5 c1cncc(c1F)O AB64515 [1,0,0,0,0,0|2,0,0]=3 275 B8R1.5 c1cncc(c1I)F PB21191 [1,0,0,0,0,0|3,0,0]=4 276 B8R1.5 c1cncc(c1I)N PB23406 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.5 c1cncc(c1I)O MB06807 [1,0,0,0,0,0|2,0,0]=3 278 B8R1.5 c1cncc(c1N)Br AB28611 [1,0,0,0,0,0|3,0,0]=4 279 B8R1.5 c1cncc(c1N)Cl AB16891 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.5 c1cncc(c1N)F PB33879 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.5 c1cncc(c1N)I AB12095 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.5 c1cncc(c1O)Br AB09574 [1,0,0,0,0,0|2,0,0]=3 283 B8R1.5 c1cncc(c1O)F AB18011 [1,0,0,0,0,0|2,0,0]=3 284 B8R1.5 c1cnnc(c1Br)O AB77052 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.2 CCc1cccc(c1Br)O MB24080 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.2 CCc1cccc(c1C)O MB24030 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.2 CCc1cccc(c1Cl)O MB24081 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.2 CCc1cccc(c1F)O MB24054 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.2 CCc1cccc(c1I)O MB24055 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.2 CCc1cccc(c1N)O MB24059 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.2 CCc1cccc(c1O)Br MB02008 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.2 CCc1cccc(c1O)Cl MB02005 [0,1,0,0,0,0|1,0,0]=2 293 B10R1.2 CCc1cccc(c1O)F MB24014 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.2 CCc1cccc(c1O)I MB24016 [0,1,0,0,0,0|1,0,0]=2 295 B10R1.2 CCc1cccc(c1O)N MB24022 [0,1,0,0,0,0|1,0,0]=2 296 B10R1.2 CNc1cccc(c1Br)O MB28270 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.2 CNc1cccc(c1Cl)O MB26964 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.2 CNc1cccc(c1F)O MB34647 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.2 CNc1cccc(c1I)O MB29498 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.2 CNc1cccc(c1N)O MB33054 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.2 CNc1cccc(c1O)Br MB26263 [0,1,0,0,0,0|1,0,0]=2 302 B10R1.2 CNc1cccc(c1O)Cl MB33654 [0,1,0,0,0,0|1,0,0]=2 303 B10R1.2 CNc1cccc(c1O)F MB28274 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.2 CNc1cccc(c1O)I MB32214 [0,1,0,0,0,0|1,0,0]=2 305 B10R1.2 CNc1cccc(c1O)N MB33525 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [0,1,0,0,0,0|2,1,0]=4 307 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [0,1,0,0,0,0|2,1,0]=4 308 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [0,1,0,0,0,0|1,1,0]=3 309 B10R1.2 COc1c(c(ccn1)I)F AB71332 [0,1,0,0,0,0|2,1,0]=4 310 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [0,1,0,0,0,0|2,1,0]=4 311 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [0,1,0,0,0,0|2,1,0]=4 312 B10R1.2 COc1c(c(ccn1)N)F AB70892 [0,1,0,0,0,0|2,1,0]=4 313 B10R1.2 COc1c(c(ccn1)N)N AB56399 [0,1,0,0,0,0|2,1,0]=4 314 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [0,1,0,0,0,0|2,1,0]=4 315 B10R1.2 COc1cccc(c1Br)O MB06929 [0,1,0,0,0,0|1,1,0]=3 316 B10R1.2 COc1cccc(c1Cl)N PB11874 [0,1,0,0,0,0|1,1,0]=3 317 B10R1.2 COc1cccc(c1Cl)O MB06074 [0,1,0,0,0,0|1,1,0]=3 318 B10R1.2 COc1cccc(c1F)O MB09318 [0,1,0,0,0,0|1,1,0]=3 319 B10R1.2 COc1cccc(c1I)O MB14766 [0,1,0,0,0,0|1,1,0]=3 320 B10R1.2 COc1cccc(c1N)O MB12204 [0,1,0,0,0,0|1,1,0]=3 321 B10R1.2 COc1cccc(c1O)Br PB18847 [0,1,0,0,0,0|0,1,0]=2 322 B10R1.2 COc1cccc(c1O)Cl MB25402 [0,1,0,0,0,0|0,1,0]=2 323 B10R1.2 COc1cccc(c1O)I MB09225 [0,1,0,0,0,0|0,1,0]=2 324 B10R1.2 COc1cccc(c1O)N MB25613 [0,1,0,0,0,0|0,1,0]=2 325 B10R1.2 COc1ccnc(c1Cl)N AB70635 [0,1,0,0,0,0|2,1,0]=4 326 B10R1.2 COc1ccnc(c1Cl)O AB71172 [0,1,0,0,0,0|2,1,0]=4 327 B10R1.2 COc1ccnc(c1I)N AB48785 [0,1,0,0,0,0|2,1,0]=4 328 B10R1.2 COc1ccnc(c1N)Cl AB62572 [0,1,0,0,0,0|2,1,0]=4 329 B10R1.2 COc1ccnc(c1O)Cl AB71167 [0,1,0,0,0,0|1,1,0]=3 330 B10R1.2 COc1cncc(c1Cl)N AB64859 [0,1,0,0,0,0|2,1,0]=4 331 B10R1.2 COc1cncc(c1Cl)O AB75741 [0,1,0,0,0,0|2,1,0]=4 332 B10R1.2 COc1cncc(c1N)Cl AB75723 [0,1,0,0,0,0|2,1,0]=4 333 B10R1.2 COc1cncc(c1O)Cl AB75737 [0,1,0,0,0,0|1,1,0]=3 334 B10R1.2 CSc1cccc(c1Br)O MB26789 [0,1,0,0,0,0|1,0,0]=2 335 B10R1.2 CSc1cccc(c1Cl)O MB33312 [0,1,0,0,0,0|1,0,0]=2 336 B10R1.2 CSc1cccc(c1F)O MB25404 [0,1,0,0,0,0|1,0,0]=2 337 B10R1.2 CSc1cccc(c1I)O MB31760 [0,1,0,0,0,0|1,0,0]=2 338 B10R1.2 CSc1cccc(c1N)O MB32351 [0,1,0,0,0,0|1,0,0]=2 339 B10R1.2 CSc1cccc(c1O)Cl MB27718 [0,1,0,0,0,0|0,0,0]=1 340 B10R1.2 CSc1cccc(c1O)F MB25614 [0,1,0,0,0,0|0,0,0]=1 341 B10R1.2 CSc1cccc(c1O)I MB28360 [0,1,0,0,0,0|0,0,0]=1 342 B10R1.2 CSc1cccc(c1O)N MB28757 [0,1,0,0,0,0|0,0,0]=1 343 B10R1.2 Cc1c(c(ccn1)C=O)O AB24800 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.2 Cc1c(cccc1Br)C#N CB11199 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.2 Cc1c(cccc1O)C#N MB02463 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.2 Cc1c(cccc1O)C=O MB08410 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.2 Cc1c(cccc1O)NC MB37053 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,1,0,0,0,0|1,1,0]=3 349 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,1,0,0,0,0|1,0,0]=2 350 B10R1.2 Cc1c(cncc1OC)N CB11797 [0,1,0,0,0,0|2,1,0]=4 351 B10R1.2 Cc1cccc(c1N)C#N MB08131 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.2 Cc1cccc(c1N)CN MB08906 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.2 Cc1cccc(c1N)OC AB02877 [0,1,0,0,0,0|1,1,0]=3 354 B10R1.2 Cc1cccc(c1O)C#N MB07838 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.2 Cc1cccc(c1O)CN MB05058 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.2 Cc1cccc(c1O)NC MB31993 [0,1,0,0,0,0|1,0,0]=2 357 B10R1.2 Cc1cccc(c1O)SC MB31066 [0,1,0,0,0,0|0,0,0]=1 358 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [0,1,0,0,0,0|2,1,0]=4 359 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.2 Cc1cncc(c1O)C=O AB75247 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.2 c1c(c(c(cn1)Br)O)C=O AB84418 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.2 c1c(c(c(cn1)Cl)O)C=O AB84026 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.2 c1c(c(c(cn1)Cl)O)CCl AB84031 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.2 c1c(c(c(cn1)Cl)O)CN AB84033 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.2 c1c(c(c(cn1)N)O)C=O AB84419 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.2 c1cc(c(c(c1)Br)Cl)C#N CB11304 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [0,1,0,0,0,0|2,0,0]=3 368 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.2 c1cc(c(c(c1)Cl)Br)C#N MB08912 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O MB08895 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.2 c1cc(c(c(c1)Cl)F)C=O AB09379 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.2 c1cc(c(c(c1)Cl)I)C#N AB72108 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [0,1,0,0,0,0|2,0,0]=3 377 B10R1.2 c1cc(c(c(c1)F)Br)C#N AB32074 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [0,1,0,0,0,0|2,0,0]=3 380 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [0,1,0,0,0,0|2,0,0]=3 381 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [0,1,0,0,0,0|2,0,0]=3 382 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [0,1,0,0,0,0|2,0,0]=3 383 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.2 c1cc(c(c(c1)N)F)C#N AB43380 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [0,1,0,0,0,0|2,0,0]=3 389 B10R1.2 c1cc(c(c(c1)O)Br)C#N MB07308 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.2 c1cc(c(c(c1)O)Br)C=O AB03304 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.2 c1cc(c(c(c1)O)Cl)C#N MB10145 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.2 c1cc(c(c(c1)O)F)C=O AB63446 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.2 c1cc(c(c(c1)O)I)C#N MB28827 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.2 c1cc(c(c(c1)O)I)C=O MB07518 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.2 c1cc(c(c(c1)O)N)C#N MB09969 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.2 c1cc(c(c(c1)O)N)C=O MB38000 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.2 c1cnc(c(c1Br)O)C=O AB84603 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.2 c1cnc(c(c1C=O)O)Br AB69695 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.2 c1cnc(c(c1C=O)O)Cl AB69323 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.2 c1cnc(c(c1C=O)O)N AB84363 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.2 c1cnc(c(c1CCl)O)Cl AB71002 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.2 c1cnc(c(c1CN)O)Cl AB76795 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.2 c1cnc(c(c1Cl)O)C=O AB75013 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.2 c1cnc(c(c1Cl)O)CCl AB83984 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.2 c1cnc(c(c1N)O)C=O AB84604 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.4 CCOc1c(cccn1)Br AB05207 [0,1,0,0,0,0|2,1,0]=4 412 B10R1.4 CCOc1c(cccn1)I AB05213 [0,1,0,0,0,0|2,1,0]=4 413 B10R1.4 CCOc1ccncc1Br MB01009 [0,1,0,0,0,0|2,1,0]=4 414 B10R1.4 CNCc1c(cccn1)F PB12566 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.4 CNCc1cccnc1Cl AB53845 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.4 CNCc1cnccc1Br AB67968 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.4 CNCc1cnccc1Cl AB67984 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.4 CNCc1cnccc1F AB68060 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.4 Cc1ccccc1CC=O AB11813 [0,1,0,0,0,0|2,0,1]=4 422 B10R1.4 Cc1cccnc1CCN AB31462 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.4 Cc1ccncc1CCN AB55157 [0,1,0,0,0,0|3,0,0]=4 424 B10R1.4 Cc1ccncc1CNC AB67828 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,1,0,0,0,0|3,0,0]=4 427 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [0,1,0,0,0,0|2,0,1]=4 431 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [0,1,0,0,0,0|2,0,1]=4 432 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [0,1,0,0,0,0|2,0,0]=3 433 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [0,1,0,0,0,0|1,0,0]=2 434 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [0,1,0,0,0,0|3,0,0]=4 436 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [0,1,0,0,0,0|3,0,0]=4 438 B10R1.4 c1cncc(c1Br)CCN AB45481 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.4 c1cncc(c1Cl)CCN AB68002 [0,1,0,0,0,0|3,0,0]=4 440 B10R1.4 c1cncc(c1F)CCN AB55177 [0,1,0,0,0,0|3,0,0]=4 441 B10R1.20 C#Cc1ccccc1C=O AB17472 [0,1,0,0,0,0|1,0,2]=4 442 B10R1.20 COc1c(cccn1)C#C AB69070 [0,1,0,0,0,0|2,0,1]=4 443 B10R1.20 COc1c(cccn1)C#N PB30871 [0,1,0,0,0,0|2,1,0]=4 444 B10R1.20 COc1c(cccn1)C=O PB26137 [0,1,0,0,0,0|1,1,1]=4 445 B10R1.20 COc1c(cccn1)CCl AB54482 [0,1,0,0,0,0|2,1,0]=4 446 B10R1.20 COc1c(cccn1)CN PB10680 [0,1,0,0,0,0|2,1,0]=4 447 B10R1.20 COc1c(cccn1)CN PB15194 [0,1,0,0,0,0|2,1,0]=4 448 B10R1.20 COc1c(cccn1)CO PB20446 [0,1,0,0,0,0|1,1,0]=3 449 B10R1.20 COc1ccccc1C#N AB00156 [0,1,0,0,0,0|1,1,0]=3 450 B10R1.20 COc1ccccc1C=O AB00311 [0,1,0,0,0,0|0,1,1]=3 451 B10R1.20 COc1cccnc1C#N AB40617 [0,1,0,0,0,0|2,1,0]=4 452 B10R1.20 COc1cccnc1C=O AB22246 [0,1,0,0,0,0|1,1,1]=4 453 B10R1.20 COc1cccnc1CCl AB60052 [0,1,0,0,0,0|2,1,0]=4 454 B10R1.20 COc1cccnc1CN AB40619 [0,1,0,0,0,0|2,1,0]=4 455 B10R1.20 COc1cccnc1CO MB05449 [0,1,0,0,0,0|1,1,0]=3 456 B10R1.20 COc1cccnc1OC AB13430 [0,1,0,0,0,0|1,1,0]=3 457 B10R1.20 COc1ccncc1C#C AB69060 [0,1,0,0,0,0|2,0,1]=4 458 B10R1.20 COc1ccncc1C=O AB17569 [0,1,0,0,0,0|1,1,1]=4 459 B10R1.20 COc1ccncc1CCl AB68800 [0,1,0,0,0,0|2,1,0]=4 460 B10R1.20 COc1ccncc1CN AB67859 [0,1,0,0,0,0|2,1,0]=4 461 B10R1.20 COc1cnccc1C#C AB69090 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.20 COc1cnccc1C=O AB17541 [0,1,0,0,0,0|1,1,1]=4 463 B10R1.20 COc1cnccc1CCl AB67554 [0,1,0,0,0,0|2,1,0]=4 464 B10R1.20 COc1cnccc1CN AB63142 [0,1,0,0,0,0|2,1,0]=4 465 B10R1.20 CSc1c(cccn1)C=O MB07044 [0,1,0,0,0,0|1,0,1]=3 466 B10R1.20 CSc1c(cccn1)CO MB07043 [0,1,0,0,0,0|1,0,0]=2 467 B10R1.20 c1cc(c(nc1)C#N)CO AB31401 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.25 CCc1ccc(cc1Br)O MB23966 [0,1,0,0,0,0|2,0,0]=3 472 B10R1.25 CCc1ccc(cc1C)O MB23913 [0,1,0,0,0,0|2,0,0]=3 473 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.25 CCc1ccc(cc1F)O MB14963 [0,1,0,0,0,0|2,0,0]=3 475 B10R1.25 CCc1ccc(cc1I)O MB23946 [0,1,0,0,0,0|2,0,0]=3 476 B10R1.25 CCc1ccc(cc1N)O MB23949 [0,1,0,0,0,0|2,0,0]=3 477 B10R1.25 CCc1ccc(cc1O)Br MB23992 [0,1,0,0,0,0|1,0,0]=2 478 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [0,1,0,0,0,0|1,0,0]=2 479 B10R1.25 CCc1ccc(cc1O)F MB23841 [0,1,0,0,0,0|1,0,0]=2 480 B10R1.25 CCc1ccc(cc1O)I MB23846 [0,1,0,0,0,0|1,0,0]=2 481 B10R1.25 CCc1ccc(cc1O)N MB23852 [0,1,0,0,0,0|1,0,0]=2 482 B10R1.25 CCc1ccc(nc1N)C AB03677 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.25 CCn1ccc(cc1=O)Br PB38061 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.25 CCn1ccc(cc1=O)N PB23013 [0,1,0,0,0,0|2,0,1]=4 485 B10R1.25 CNc1c(cc(cn1)Br)N AB40964 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.25 CNc1c(cc(cn1)Cl)N AB41038 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.25 CNc1ccc(cc1F)O MB31256 [0,1,0,0,0,0|2,0,0]=3 488 B10R1.25 CNc1ccc(cc1I)O MB37121 [0,1,0,0,0,0|2,0,0]=3 489 B10R1.25 CNc1ccc(cc1N)O MB30558 [0,1,0,0,0,0|2,0,0]=3 490 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [0,1,0,0,0,0|1,0,0]=2 491 B10R1.25 CNc1ccc(cc1O)N MB33015 [0,1,0,0,0,0|1,0,0]=2 492 B10R1.25 COc1c(cc(cn1)Br)Cl AB20950 [0,1,0,0,0,0|2,1,0]=4 493 B10R1.25 COc1c(cc(cn1)Br)F AB17621 [0,1,0,0,0,0|2,1,0]=4 494 B10R1.25 COc1c(cc(cn1)Br)I AB21850 [0,1,0,0,0,0|2,1,0]=4 495 B10R1.25 COc1c(cc(cn1)Br)N PB15873 [0,1,0,0,0,0|2,1,0]=4 496 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [0,1,0,0,0,0|1,1,0]=3 497 B10R1.25 COc1c(cc(cn1)Cl)Br AB43095 [0,1,0,0,0,0|2,1,0]=4 498 B10R1.25 COc1c(cc(cn1)Cl)F AB41066 [0,1,0,0,0,0|2,1,0]=4 499 B10R1.25 COc1c(cc(cn1)Cl)N AB41036 [0,1,0,0,0,0|2,1,0]=4 500 B10R1.25 COc1c(cc(cn1)F)N AB75363 [0,1,0,0,0,0|2,1,0]=4 501 B10R1.25 COc1c(cc(cn1)N)Cl AB70284 [0,1,0,0,0,0|2,1,0]=4 502 B10R1.25 COc1c(cc(cn1)N)F AB40818 [0,1,0,0,0,0|2,1,0]=4 503 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [0,1,0,0,0,0|2,1,0]=4 504 B10R1.25 COc1c(cc(cn1)O)F AB70291 [0,1,0,0,0,0|2,1,0]=4 505 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [0,1,0,0,0,0|1,1,0]=3 506 B10R1.25 COc1ccc(cc1Cl)O MB13556 [0,1,0,0,0,0|1,1,0]=3 507 B10R1.25 COc1ccc(cc1F)Br AB01075 [0,1,0,0,0,0|1,1,0]=3 508 B10R1.25 COc1ccc(cc1I)O MB26647 [0,1,0,0,0,0|1,1,0]=3 509 B10R1.25 COc1ccc(cc1N)O MB34521 [0,1,0,0,0,0|1,1,0]=3 510 B10R1.25 COc1ccc(cc1O)Cl MB09234 [0,1,0,0,0,0|0,1,0]=2 511 B10R1.25 COc1ccc(cc1O)I MB38179 [0,1,0,0,0,0|0,1,0]=2 512 B10R1.25 COc1ccc(nc1Br)N AB26774 [0,1,0,0,0,0|2,1,0]=4 513 B10R1.25 COc1ccc(nc1Cl)N AB40624 [0,1,0,0,0,0|2,1,0]=4 514 B10R1.25 COc1cnc(cc1Cl)N PB15356 [0,1,0,0,0,0|2,1,0]=4 515 B10R1.25 COc1cnc(cc1O)Cl AB69306 [0,1,0,0,0,0|1,1,0]=3 516 B10R1.25 CSc1c(cc(cn1)Br)N AB40978 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.25 CSc1c(cc(cn1)Cl)N AB41053 [0,1,0,0,0,0|2,0,0]=3 518 B10R1.25 CSc1ccc(cc1Br)O MB25524 [0,1,0,0,0,0|1,0,0]=2 519 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [0,1,0,0,0,0|1,0,0]=2 520 B10R1.25 CSc1ccc(cc1F)O MB25544 [0,1,0,0,0,0|1,0,0]=2 521 B10R1.25 CSc1ccc(cc1N)O MB34593 [0,1,0,0,0,0|1,0,0]=2 522 B10R1.25 CSc1ccc(cc1O)Br MB35434 [0,1,0,0,0,0|0,0,0]=1 523 B10R1.25 CSc1ccc(cc1O)F MB25440 [0,1,0,0,0,0|0,0,0]=1 524 B10R1.25 CSc1ccc(cc1O)I MB29501 [0,1,0,0,0,0|0,0,0]=1 525 B10R1.25 CSc1ccc(cc1O)N MB36502 [0,1,0,0,0,0|0,0,0]=1 526 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [0,1,0,0,0,0|2,1,0]=4 527 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [0,1,0,0,0,0|2,1,0]=4 528 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [0,1,0,0,0,0|2,1,0]=4 529 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [0,1,0,0,0,0|3,0,0]=4 530 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [0,1,0,0,0,0|3,0,0]=4 531 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [0,1,0,0,0,0|2,1,0]=4 532 B10R1.25 Cc1cc(ccc1C#N)Cl MB00421 [0,1,0,0,0,0|3,0,0]=4 533 B10R1.25 Cc1cc(ccc1C#N)O MB23389 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.25 Cc1cc(ccc1NC)O MB05083 [0,1,0,0,0,0|2,0,0]=3 535 B10R1.25 Cc1cc(ccc1OC)O MB07842 [0,1,0,0,0,0|1,1,0]=3 536 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [0,1,0,0,0,0|2,1,0]=4 537 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [0,1,0,0,0,0|2,1,0]=4 538 B10R1.25 Cc1cc(cnc1OC)N AB20996 [0,1,0,0,0,0|2,1,0]=4 539 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [0,1,0,0,0,0|3,0,0]=4 542 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [0,1,0,0,0,0|2,0,0]=3 543 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [0,1,0,0,0,0|2,0,0]=3 544 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [0,1,0,0,0,0|1,0,0]=2 545 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,1,0,0,0,0|0,0,0]=1 546 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [0,1,0,0,0,0|2,1,0]=4 547 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.25 c1c(c(cnc1Br)C=O)O AB72645 [0,1,0,0,0,0|3,0,0]=4 549 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.25 c1c(c(cnc1N)C=O)O AB84438 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [0,1,0,0,0,0|3,0,0]=4 552 B10R1.25 c1c(cnc(c1O)C=O)Br AB70969 [0,1,0,0,0,0|3,0,0]=4 553 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [0,1,0,0,0,0|3,0,0]=4 554 B10R1.25 c1c(cnc(c1O)C=O)N AB84581 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.25 c1cc(c(cc1Br)Br)C#N AB66754 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [0,1,0,0,0,0|3,0,0]=4 557 B10R1.25 c1cc(c(cc1Br)F)C#N AB03862 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [0,1,0,0,0,0|3,0,0]=4 559 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [0,1,0,0,0,0|2,0,0]=3 561 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [0,1,0,0,0,0|2,0,0]=3 562 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [0,1,0,0,0,0|3,0,0]=4 563 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [0,1,0,0,0,0|3,0,0]=4 564 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [0,1,0,0,0,0|3,0,0]=4 565 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [0,1,0,0,0,0|2,0,0]=3 566 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [0,1,0,0,0,0|2,0,0]=3 567 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [0,1,0,0,0,0|2,0,0]=3 568 B10R1.25 c1cc(c(cc1F)Br)C#N AB06855 [0,1,0,0,0,0|3,0,0]=4 569 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [0,1,0,0,0,0|3,0,0]=4 570 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [0,1,0,0,0,0|3,0,0]=4 572 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [0,1,0,0,0,0|2,0,0]=3 574 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [0,1,0,0,0,0|2,0,0]=3 575 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [0,1,0,0,0,0|2,0,0]=3 576 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [0,1,0,0,0,0|2,0,0]=3 577 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [0,1,0,0,0,0|2,0,0]=3 578 B10R1.25 c1cc(c(cc1N)F)C#N AB32067 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [0,1,0,0,0,0|3,0,0]=4 580 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [0,1,0,0,0,0|3,0,0]=4 581 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [0,1,0,0,0,0|2,0,0]=3 582 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [0,1,0,0,0,0|2,0,0]=3 583 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [0,1,0,0,0,0|2,0,0]=3 584 B10R1.25 c1cc(c(cc1O)Br)C#N MB14756 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [0,1,0,0,0,0|3,0,0]=4 587 B10R1.25 c1cc(c(cc1O)F)C#N AB04647 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [0,1,0,0,0,0|3,0,0]=4 589 B10R1.25 c1cc(c(cc1O)I)C#N MB14759 [0,1,0,0,0,0|3,0,0]=4 590 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.25 c1cc(c(cc1O)N)C#N MB14762 [0,1,0,0,0,0|3,0,0]=4 592 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [0,1,0,0,0,0|3,0,0]=4 593 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [0,1,0,0,0,0|3,0,0]=4 594 B10R1.25 c1cc(nc(c1C=O)O)Br AB84532 [0,1,0,0,0,0|3,0,0]=4 595 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [0,1,0,0,0,0|3,0,0]=4 596 B10R1.25 c1cc(nc(c1C=O)O)N AB84539 [0,1,0,0,0,0|3,0,0]=4 597 B10R1.30 CCc1cc(ccc1Br)O MB23770 [0,1,0,0,0,0|2,0,0]=3 598 B10R1.30 CCc1cc(ccc1C)O MB23722 [0,1,0,0,0,0|2,0,0]=3 599 B10R1.30 CCc1cc(ccc1F)O MB23754 [0,1,0,0,0,0|2,0,0]=3 600 B10R1.30 CCc1cc(ccc1I)O MB09270 [0,1,0,0,0,0|2,0,0]=3 601 B10R1.30 CCc1cc(ccc1N)O MB23757 [0,1,0,0,0,0|2,0,0]=3 602 B10R1.30 CCc1cc(ccc1O)Br MB00480 [0,1,0,0,0,0|1,0,0]=2 603 B10R1.30 CCc1cc(ccc1O)C MB23622 [0,1,0,0,0,0|1,0,0]=2 604 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [0,1,0,0,0,0|1,0,0]=2 605 B10R1.30 CCc1cc(ccc1O)I MB23657 [0,1,0,0,0,0|1,0,0]=2 606 B10R1.30 CCc1cc(ccc1O)N MB23663 [0,1,0,0,0,0|1,0,0]=2 607 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [0,1,0,0,0,0|2,0,0]=3 608 B10R1.30 CNc1cc(ccc1F)O MB28645 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.30 CNc1cc(ccc1I)O MB33108 [0,1,0,0,0,0|2,0,0]=3 610 B10R1.30 CNc1cc(ccc1N)O MB33092 [0,1,0,0,0,0|2,0,0]=3 611 B10R1.30 CNc1cc(ccc1O)Br MB32072 [0,1,0,0,0,0|1,0,0]=2 612 B10R1.30 CNc1cc(ccc1O)F MB26737 [0,1,0,0,0,0|1,0,0]=2 613 B10R1.30 CNc1cc(ccc1O)I MB35760 [0,1,0,0,0,0|1,0,0]=2 614 B10R1.30 CNc1cc(ccc1O)N MB28647 [0,1,0,0,0,0|1,0,0]=2 615 B10R1.30 CNc1cc(cnc1Cl)Br AB40833 [0,1,0,0,0,0|3,0,0]=4 616 B10R1.30 CNc1cc(cnc1Cl)Cl AB41028 [0,1,0,0,0,0|3,0,0]=4 617 B10R1.30 COc1c(ccc(n1)Br)F AB74998 [0,1,0,0,0,0|2,1,0]=4 618 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [0,1,0,0,0,0|1,1,0]=3 619 B10R1.30 COc1c(ccc(n1)I)Br AB73529 [0,1,0,0,0,0|2,1,0]=4 620 B10R1.30 COc1c(ccc(n1)N)F AB76983 [0,1,0,0,0,0|2,1,0]=4 621 B10R1.30 COc1cc(ccc1Br)O MB00359 [0,1,0,0,0,0|1,1,0]=3 622 B10R1.30 COc1cc(ccc1Cl)O MB25434 [0,1,0,0,0,0|1,1,0]=3 623 B10R1.30 COc1cc(ccc1F)O MB08744 [0,1,0,0,0,0|1,1,0]=3 624 B10R1.30 COc1cc(ccc1I)Br CB11560 [0,1,0,0,0,0|1,1,0]=3 625 B10R1.30 COc1cc(ccc1I)O MB29625 [0,1,0,0,0,0|1,1,0]=3 626 B10R1.30 COc1cc(ccc1N)F MB00562 [0,1,0,0,0,0|1,1,0]=3 627 B10R1.30 COc1cc(ccc1N)O MB01122 [0,1,0,0,0,0|1,1,0]=3 628 B10R1.30 COc1cc(ccc1O)Br PB30583 [0,1,0,0,0,0|0,1,0]=2 629 B10R1.30 COc1cc(ccc1O)I MB05217 [0,1,0,0,0,0|0,1,0]=2 630 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [0,1,0,0,0,0|2,1,0]=4 631 B10R1.30 COc1cc(cnc1Cl)F AB74801 [0,1,0,0,0,0|2,1,0]=4 632 B10R1.30 COc1cc(ncc1Cl)N AB70478 [0,1,0,0,0,0|2,1,0]=4 633 B10R1.30 CSc1c(cnc(n1)Cl)Br PB27822 [0,1,0,0,0,0|3,0,0]=4 634 B10R1.30 CSc1cc(ccc1Br)O MB38334 [0,1,0,0,0,0|1,0,0]=2 635 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [0,1,0,0,0,0|1,0,0]=2 636 B10R1.30 CSc1cc(ccc1F)O MB25679 [0,1,0,0,0,0|1,0,0]=2 637 B10R1.30 CSc1cc(ccc1I)O MB30001 [0,1,0,0,0,0|1,0,0]=2 638 B10R1.30 CSc1cc(ccc1N)O MB25516 [0,1,0,0,0,0|1,0,0]=2 639 B10R1.30 CSc1cc(ccc1O)Br MB28713 [0,1,0,0,0,0|0,0,0]=1 640 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [0,1,0,0,0,0|0,0,0]=1 641 B10R1.30 CSc1cc(ccc1O)F MB35476 [0,1,0,0,0,0|0,0,0]=1 642 B10R1.30 CSc1cc(ccc1O)N MB29519 [0,1,0,0,0,0|0,0,0]=1 643 B10R1.30 Cc1cc(c(cn1)Br)OC AB40816 [0,1,0,0,0,0|2,1,0]=4 644 B10R1.30 Cc1cc(c(cn1)O)C=O AB76792 [0,1,0,0,0,0|3,0,0]=4 645 B10R1.30 Cc1cc(c(nc1)O)C#N AB64064 [0,1,0,0,0,0|3,0,0]=4 646 B10R1.30 Cc1cc(c(nc1)O)C=O AB71365 [0,1,0,0,0,0|3,0,0]=4 647 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [0,1,0,0,0,0|2,0,0]=3 648 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [0,1,0,0,0,0|3,0,0]=4 649 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [0,1,0,0,0,0|0,0,0]=1 650 B10R1.30 Cc1ccc(c(n1)C=O)O AB62933 [0,1,0,0,0,0|3,0,0]=4 651 B10R1.30 Cc1ccc(cc1C#N)O MB23451 [0,1,0,0,0,0|3,0,0]=4 652 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [0,1,0,0,0,0|3,0,0]=4 653 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [0,1,0,0,0,0|3,0,0]=4 654 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [0,1,0,0,0,0|3,0,0]=4 655 B10R1.30 Cc1ccc(cc1CN)O MB26411 [0,1,0,0,0,0|3,0,0]=4 656 B10R1.30 Cc1ccc(cc1NC)O MB36159 [0,1,0,0,0,0|2,0,0]=3 657 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,1,0,0,0,0|1,1,0]=3 658 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,1,0,0,0,0|1,1,0]=3 659 B10R1.30 c1c(c(cnc1Br)O)C=O AB69284 [0,1,0,0,0,0|3,0,0]=4 660 B10R1.30 c1c(c(cnc1Cl)O)C=O AB67782 [0,1,0,0,0,0|3,0,0]=4 661 B10R1.30 c1c(c(cnc1N)O)C=O AB84402 [0,1,0,0,0,0|3,0,0]=4 662 B10R1.30 c1c(cnc(c1C#N)O)Br PB30875 [0,1,0,0,0,0|3,0,0]=4 663 B10R1.30 c1c(cnc(c1C#N)O)Cl AB63087 [0,1,0,0,0,0|3,0,0]=4 664 B10R1.30 c1c(cnc(c1C=O)O)Br AB70946 [0,1,0,0,0,0|3,0,0]=4 665 B10R1.30 c1c(cnc(c1C=O)O)Cl AB70935 [0,1,0,0,0,0|3,0,0]=4 666 B10R1.30 c1c(cnc(c1C=O)O)N AB84511 [0,1,0,0,0,0|3,0,0]=4 667 B10R1.30 c1cc(c(cc1Br)C#N)N MB00791 [0,1,0,0,0,0|3,0,0]=4 668 B10R1.30 c1cc(c(cc1Br)C=O)Br MB01225 [0,1,0,0,0,0|3,0,0]=4 669 B10R1.30 c1cc(c(cc1Br)C=O)N AB58429 [0,1,0,0,0,0|3,0,0]=4 670 B10R1.30 c1cc(c(cc1Br)CN)N AB23393 [0,1,0,0,0,0|3,0,0]=4 671 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [0,1,0,0,0,0|2,0,0]=3 672 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [0,1,0,0,0,0|3,0,0]=4 673 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [0,1,0,0,0,0|3,0,0]=4 674 B10R1.30 c1cc(c(cc1Br)NN)F AB13329 [0,1,0,0,0,0|3,0,0]=4 675 B10R1.30 c1cc(c(cc1Cl)C#N)Br AB45293 [0,1,0,0,0,0|3,0,0]=4 676 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [0,1,0,0,0,0|2,0,0]=3 677 B10R1.30 c1cc(c(cc1Cl)CN)N AB23303 [0,1,0,0,0,0|3,0,0]=4 678 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [0,1,0,0,0,0|2,0,0]=3 679 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [0,1,0,0,0,0|3,0,0]=4 680 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [0,1,0,0,0,0|2,0,0]=3 681 B10R1.30 c1cc(c(cc1F)C=O)Br AB03821 [0,1,0,0,0,0|3,0,0]=4 682 B10R1.30 c1cc(c(cc1F)C=O)N AB58443 [0,1,0,0,0,0|3,0,0]=4 683 B10R1.30 c1cc(c(cc1F)CN)N AB23426 [0,1,0,0,0,0|3,0,0]=4 684 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [0,1,0,0,0,0|2,0,0]=3 685 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [0,1,0,0,0,0|3,0,0]=4 686 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [0,1,0,0,0,0|2,0,0]=3 687 B10R1.30 c1cc(c(cc1I)CBr)Cl AB43862 [0,1,0,0,0,0|3,0,0]=4 688 B10R1.30 c1cc(c(cc1I)CN)Cl AB44524 [0,1,0,0,0,0|3,0,0]=4 689 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [0,1,0,0,0,0|2,0,0]=3 690 B10R1.30 c1cc(c(cc1N)C#N)Cl AB07265 [0,1,0,0,0,0|3,0,0]=4 691 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [0,1,0,0,0,0|2,0,0]=3 692 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [0,1,0,0,0,0|2,0,0]=3 693 B10R1.30 c1cc(c(cc1N)CN)F AB23413 [0,1,0,0,0,0|3,0,0]=4 694 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [0,1,0,0,0,0|2,0,0]=3 695 B10R1.30 c1cc(c(cc1O)C#N)Br MB05213 [0,1,0,0,0,0|3,0,0]=4 696 B10R1.30 c1cc(c(cc1O)C#N)Cl MB07522 [0,1,0,0,0,0|3,0,0]=4 697 B10R1.30 c1cc(c(cc1O)C#N)I MB27967 [0,1,0,0,0,0|3,0,0]=4 698 B10R1.30 c1cc(c(cc1O)C#N)N MB03902 [0,1,0,0,0,0|3,0,0]=4 699 B10R1.30 c1cc(c(cc1O)C=O)Br AB13035 [0,1,0,0,0,0|3,0,0]=4 700 B10R1.30 c1cc(c(cc1O)C=O)Cl MB05036 [0,1,0,0,0,0|3,0,0]=4 701 B10R1.30 c1cc(c(cc1O)C=O)F MB06891 [0,1,0,0,0,0|3,0,0]=4 702 B10R1.30 c1cc(c(cc1O)C=O)N MB29975 [0,1,0,0,0,0|3,0,0]=4 703 B10R1.30 c1cc(c(cc1O)CN)Br MB08427 [0,1,0,0,0,0|3,0,0]=4 704 B10R1.30 c1cc(c(cc1O)CN)Cl MB37155 [0,1,0,0,0,0|3,0,0]=4 705 B10R1.30 c1cc(c(cc1O)CN)F MB12208 [0,1,0,0,0,0|3,0,0]=4 706 B10R1.30 c1cc(c(cc1O)CN)I MB36844 [0,1,0,0,0,0|3,0,0]=4 707 B10R1.30 c1cc(nc(c1O)C=O)Br AB84561 [0,1,0,0,0,0|3,0,0]=4 708 B10R1.30 c1cc(nc(c1O)C=O)Cl AB74851 [0,1,0,0,0,0|3,0,0]=4 709 B10R1.30 c1cc(nc(c1O)C=O)N AB84562 [0,1,0,0,0,0|3,0,0]=4 710 B10R1.61 B(c1c(cccn1)O)(O)O AB48454 [0,1,0,0,0,0|3,0,0]=4 711 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [0,1,0,0,0,0|3,0,0]=4 712 B10R1.61 B(c1ccccc1C)(O)O AB03348 [0,1,0,0,0,0|3,0,0]=4 713 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [0,1,0,0,0,0|3,0,0]=4 714 B10R1.61 B(c1ccccc1F)(O)O AB06918 [0,1,0,0,0,0|3,0,0]=4 715 B10R1.61 B(c1ccccc1N)(O)O AB08088 [0,1,0,0,0,0|3,0,0]=4 716 B10R1.61 B(c1ccccc1O)(O)O AB08053 [0,1,0,0,0,0|2,0,0]=3 717 B10R1.61 B(c1cccnc1O)(O)O AB59785 [0,1,0,0,0,0|3,0,0]=4 718 B10R1.61 B(c1ccncc1O)(O)O AB67807 [0,1,0,0,0,0|3,0,0]=4 719 B10R1.61 B(c1cnccc1O)(O)O AB59789 [0,1,0,0,0,0|3,0,0]=4 720 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,1,0,0,0,0|3,0,0]=4 721 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,1,0,0,0,0|3,0,0]=4 722 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,1,0,0,0,0|3,0,0]=4 723 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,1,0,0,0,0|3,0,0]=4 724 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,1,0,0,0,0|3,0,0]=4 725 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,1,0,0,0,0|3,0,0]=4 726 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,1,0,0,0,0|3,0,0]=4 727 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,1,0,0,0,0|3,0,0]=4 728 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,1,0,0,0,0|3,0,0]=4 729 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,1,0,0,0,0|3,0,0]=4 730 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,1,0,0,0,0|3,0,0]=4 731 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,1,0,0,0,0|3,0,0]=4 732 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,1,0,0,0,0|3,0,0]=4 733 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,1,0,0,0,0|2,0,0]=3 734 B10R1.61 CC(C)c1ccncc1O MB22678 [0,1,0,0,0,0|2,0,0]=3 735 B10R1.61 CC(C)c1cnccc1O MB22684 [0,1,0,0,0,0|2,0,0]=3 736 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,1,0,0,0,0|3,0,0]=4 737 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,1,0,0,0,0|3,0,0]=4 738 B10R1.61 CC(c1cnccc1Cl)N AB68000 [0,1,0,0,0,0|3,0,0]=4 739 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,1,0,0,0,0|3,0,0]=4 740 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,1,0,0,0,0|3,0,0]=4 741 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,1,0,0,0,0|2,0,0]=3 742 B10R1.61 CN(C)c1ccccc1O MB08302 [0,1,0,0,0,0|1,0,0]=2 743 B10R1.61 CN(C)c1ccncc1O MB24982 [0,1,0,0,0,0|2,0,0]=3 744 B10R1.61 CN(C)c1cnccc1O MB24989 [0,1,0,0,0,0|2,0,0]=3 745 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,1,0,0,0,0|3,0,0]=4 746 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,1,0,0,0,0|3,0,0]=4 747 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,1,0,0,0,0|3,0,0]=4 748 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,1,0,0,0,0|3,0,0]=4 749 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,1,0,0,0,0|3,0,0]=4 750 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,1,0,0,0,0|3,0,0]=4 751 B10R1.61 Cc1ccncc1C(C)N AB67850 [0,1,0,0,0,0|3,0,0]=4 752 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,1,0,0,0,0|3,0,0]=4 753 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] PB30530 [0,1,0,0,0,0|3,0,0]=4 754 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O AB00667 [0,1,0,0,0,0|3,0,0]=4 755 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,1,0,0,0,0|3,0,0]=4 756 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,1,0,0,0,0|3,0,0]=4 757 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,1,0,0,0,0|3,0,0]=4 758 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,1,0,0,0,0|2,0,0]=3 759 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,1,0,0,0,0|3,0,0]=4 760 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,1,0,0,0,0|3,0,0]=4 761 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,1,0,0,0,0|3,0,0]=4 762 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,1,0,0,0,0|3,0,0]=4 763 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,1,0,0,0,0|3,0,0]=4 764 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,1,0,0,0,0|3,0,0]=4 765 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,1,0,0,0,0|3,0,0]=4 766 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,1,0,0,0,0|3,0,0]=4 767 B10R1.61 c1cncc(c1O)[N+](=O)[O-] PB12105 [0,1,0,0,0,0|3,0,0]=4 768 B10R1.245 CCc1c(cccc1Br)O MB23614 [0,1,0,0,0,0|1,0,0]=2 769 B10R1.245 CCc1c(cccc1Cl)O MB23615 [0,1,0,0,0,0|1,0,0]=2 770 B10R1.245 CCc1c(cccc1F)O MB23585 [0,1,0,0,0,0|1,0,0]=2 771 B10R1.245 CCc1c(cccc1I)O MB23587 [0,1,0,0,0,0|1,0,0]=2 772 B10R1.245 CCc1c(cccc1O)C MB23554 [0,1,0,0,0,0|1,0,0]=2 773 B10R1.245 CCc1c(cccc1O)N MB23558 [0,1,0,0,0,0|1,0,0]=2 774 B10R1.245 CNc1c(cccc1Br)O MB31500 [0,1,0,0,0,0|1,0,0]=2 775 B10R1.245 CNc1c(cccc1Cl)O MB33359 [0,1,0,0,0,0|1,0,0]=2 776 B10R1.245 CNc1c(cccc1F)O MB29137 [0,1,0,0,0,0|1,0,0]=2 777 B10R1.245 CNc1c(cccc1I)O MB30346 [0,1,0,0,0,0|1,0,0]=2 778 B10R1.245 CNc1c(cccc1O)N MB01610 [0,1,0,0,0,0|1,0,0]=2 779 B10R1.245 COc1c(cccc1Br)F AB21504 [0,1,0,0,0,0|1,1,0]=3 780 B10R1.245 COc1c(cccc1Br)O MB09199 [0,1,0,0,0,0|0,1,0]=2 781 B10R1.245 COc1c(cccc1Cl)O MB34190 [0,1,0,0,0,0|0,1,0]=2 782 B10R1.245 COc1c(cccc1F)N MB00204 [0,1,0,0,0,0|1,1,0]=3 783 B10R1.245 COc1c(cccc1I)O MB33689 [0,1,0,0,0,0|0,1,0]=2 784 B10R1.245 COc1c(cccc1O)N MB14425 [0,1,0,0,0,0|0,1,0]=2 785 B10R1.245 CSc1c(cccc1Br)O MB32344 [0,1,0,0,0,0|0,0,0]=1 786 B10R1.245 CSc1c(cccc1Cl)O MB25403 [0,1,0,0,0,0|0,0,0]=1 787 B10R1.245 CSc1c(cccc1I)O MB36697 [0,1,0,0,0,0|0,0,0]=1 788 B10R1.245 CSc1c(cccc1O)N MB26572 [0,1,0,0,0,0|0,0,0]=1 789 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [0,1,0,0,0,0|2,1,0]=4 790 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [0,1,0,0,0,0|3,0,0]=4 791 B10R1.245 Cc1cccc(c1C#N)O MB02406 [0,1,0,0,0,0|2,0,0]=3 792 B10R1.245 Cc1cccc(c1C=O)O MB14829 [0,1,0,0,0,0|2,0,0]=3 793 B10R1.245 Cc1cccc(c1CCl)C AB08451 [0,1,0,0,0,0|3,0,0]=4 794 B10R1.245 Cc1cccc(c1CN)O MB25667 [0,1,0,0,0,0|2,0,0]=3 795 B10R1.245 Cc1cccc(c1CO)C AB03562 [0,1,0,0,0,0|3,0,0]=4 796 B10R1.245 Cc1cccc(c1OC)O MB33579 [0,1,0,0,0,0|0,1,0]=2 797 B10R1.245 Cc1cccc(c1SC)O MB08534 [0,1,0,0,0,0|0,0,0]=1 798 B10R1.245 Cc1ccnc(c1C=O)O AB71364 [0,1,0,0,0,0|3,0,0]=4 799 B10R1.245 Cc1cncc(c1C=O)O AB75255 [0,1,0,0,0,0|3,0,0]=4 800 B10R1.245 c1c(c(c(cn1)Br)C=O)O AB84381 [0,1,0,0,0,0|3,0,0]=4 801 B10R1.245 c1c(c(c(cn1)Cl)C=O)O AB75024 [0,1,0,0,0,0|3,0,0]=4 802 B10R1.245 c1c(c(c(cn1)O)C=O)N AB84386 [0,1,0,0,0,0|3,0,0]=4 803 B10R1.245 c1cc(c(c(c1)Br)C#N)Cl MB03774 [0,1,0,0,0,0|3,0,0]=4 804 B10R1.245 c1cc(c(c(c1)Br)C#N)O MB12048 [0,1,0,0,0,0|2,0,0]=3 805 B10R1.245 c1cc(c(c(c1)Br)C=O)Br CB11474 [0,1,0,0,0,0|3,0,0]=4 806 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl MB01095 [0,1,0,0,0,0|3,0,0]=4 807 B10R1.245 c1cc(c(c(c1)Br)C=O)F AB14028 [0,1,0,0,0,0|3,0,0]=4 808 B10R1.245 c1cc(c(c(c1)Br)C=O)N PB34549 [0,1,0,0,0,0|3,0,0]=4 809 B10R1.245 c1cc(c(c(c1)Br)C=O)O AB43626 [0,1,0,0,0,0|2,0,0]=3 810 B10R1.245 c1cc(c(c(c1)Br)CN)O MB12052 [0,1,0,0,0,0|2,0,0]=3 811 B10R1.245 c1cc(c(c(c1)Br)CO)F AB50340 [0,1,0,0,0,0|3,0,0]=4 812 B10R1.245 c1cc(c(c(c1)Cl)C#N)O PB19932 [0,1,0,0,0,0|2,0,0]=3 813 B10R1.245 c1cc(c(c(c1)Cl)C=O)N AB58431 [0,1,0,0,0,0|3,0,0]=4 814 B10R1.245 c1cc(c(c(c1)Cl)C=O)O MB01945 [0,1,0,0,0,0|2,0,0]=3 815 B10R1.245 c1cc(c(c(c1)Cl)CN)O MB15041 [0,1,0,0,0,0|2,0,0]=3 816 B10R1.245 c1cc(c(c(c1)F)C=O)O MB01694 [0,1,0,0,0,0|2,0,0]=3 817 B10R1.245 c1cc(c(c(c1)F)CN)O MB03739 [0,1,0,0,0,0|2,0,0]=3 818 B10R1.245 c1cc(c(c(c1)I)C#N)F AB01183 [0,1,0,0,0,0|3,0,0]=4 819 B10R1.245 c1cc(c(c(c1)I)C#N)O MB37282 [0,1,0,0,0,0|2,0,0]=3 820 B10R1.245 c1cc(c(c(c1)I)C=O)O MB14699 [0,1,0,0,0,0|2,0,0]=3 821 B10R1.245 c1cc(c(c(c1)I)CN)O MB31821 [0,1,0,0,0,0|2,0,0]=3 822 B10R1.245 c1cc(c(c(c1)O)C#N)N MB34868 [0,1,0,0,0,0|2,0,0]=3 823 B10R1.245 c1cc(c(c(c1)O)C=O)N MB27161 [0,1,0,0,0,0|2,0,0]=3 824 B10R1.245 c1cc(c(c(c1)O)CN)N MB31845 [0,1,0,0,0,0|2,0,0]=3 825 B10R1.245 c1cnc(c(c1Br)C=O)O AB84479 [0,1,0,0,0,0|3,0,0]=4 826 B10R1.245 c1cnc(c(c1Cl)C=O)O AB84482 [0,1,0,0,0,0|3,0,0]=4 827 B10R1.245 c1cnc(c(c1N)C=O)O AB84486 [0,1,0,0,0,0|3,0,0]=4 828 B10R1.245 c1cnc(c(c1O)C=O)Br AB84458 [0,1,0,0,0,0|3,0,0]=4 829 B10R1.245 c1cnc(c(c1O)C=O)Cl AB66422 [0,1,0,0,0,0|3,0,0]=4 830 B10R1.245 c1cnc(c(c1O)C=O)N AB84460 [0,1,0,0,0,0|3,0,0]=4 831 B10R2.7 c1cc2c(cco2)nc1 PB26741 [0,0,0,1,0,0|2,0,1]=4 832 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [0,0,0,1,0,0|2,0,1]=4 833 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,0,0,1,0,0|3,0,0]=4 834 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [0,0,0,1,0,0|2,0,1]=4 835 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,0,0,1,0,0|3,0,0]=4 836 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [0,0,0,1,0,0|3,0,0]=4 837 B10R2.7 c1cncc2=CCN=c21 PB12213 [0,0,0,1,0,0|3,0,0]=4 838 B10R2.7 c1cncc2=NCC=c21 PB21773 [0,0,0,1,0,0|3,0,0]=4 839 B10R2.7 c1cncc2c1ccs2 MB02036 [0,0,0,1,0,0|2,0,1]=4 840 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|2,0,0]=4 841 B7R1.3 Cc1ccncn1 PB17038 [2,0,0,0,0,0|2,0,0]=4 842 B7R1.3 Cc1ccnnc1 PB24546 [2,0,0,0,0,0|2,0,0]=4 843 B7R1.3 c1c(cncn1)O PB27730 [2,0,0,0,0,0|2,0,0]=4 844 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|2,0,0]=4 845 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|2,0,0]=4 846 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|1,0,1]=4 847 B7R1.3 c1cc(nnc1)O PB32258 [2,0,0,0,0,0|2,0,0]=4 848 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|2,0,0]=4 849 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|2,0,0]=4 850 B7R1.3 c1cnccc1Br AB05093 [2,0,0,0,0,0|2,0,0]=4 851 B7R1.3 c1cnccc1I AB10861 [2,0,0,0,0,0|2,0,0]=4 852 B7R1.3 c1cnccc1O PB17041 [2,0,0,0,0,0|1,0,0]=3 853 B7R1.3 c1cncnc1O PB32093 [2,0,0,0,0,0|2,0,0]=4 854 B9R1.1 C#Cc1ccc(cc1)Cl PB21668 [1,1,0,0,0,0|1,0,1]=4 855 B9R1.1 CCc1ccc(cn1)N AB63590 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.1 CCc1ccc(cn1)O MB03842 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.1 CNc1ccc(cn1)Br AB44353 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.1 CNc1ccc(cn1)Cl AB07756 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.1 CNc1ccc(cn1)O AB69733 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [1,1,0,0,0,0|1,1,0]=4 864 B9R1.1 COc1ccc(cn1)Br AB08771 [1,1,0,0,0,0|1,1,0]=4 865 B9R1.1 COc1ccc(cn1)Cl AB23682 [1,1,0,0,0,0|1,1,0]=4 866 B9R1.1 COc1ccc(cn1)F AB13611 [1,1,0,0,0,0|1,1,0]=4 867 B9R1.1 COc1ccc(cn1)N PB27370 [1,1,0,0,0,0|1,1,0]=4 868 B9R1.1 COc1ccc(cn1)O CB10969 [1,1,0,0,0,0|1,1,0]=4 869 B9R1.1 COc1ccc(nc1)Br PB22062 [1,1,0,0,0,0|1,1,0]=4 870 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,1,0,0,0,0|1,1,0]=4 871 B9R1.1 COc1ccc(nc1)F AB66773 [1,1,0,0,0,0|1,1,0]=4 872 B9R1.1 COc1ccc(nc1)I AB11726 [1,1,0,0,0,0|1,1,0]=4 873 B9R1.1 COc1ccc(nc1)N PB14487 [1,1,0,0,0,0|1,1,0]=4 874 B9R1.1 CSc1ccc(cn1)Br AB14151 [1,1,0,0,0,0|1,0,0]=3 875 B9R1.1 CSc1ccc(cn1)O MB25590 [1,1,0,0,0,0|1,0,0]=3 876 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,1,0,0,0,0|1,0,0]=3 877 B9R1.1 CSc1cnc(cn1)Br MB07628 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.1 CSc1cnc(cn1)N AB43836 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.1 CSc1ncc(cn1)Br AB04480 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.1 CSc1ncc(cn1)Cl AB06339 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.1 CSc1ncc(cn1)N AB58989 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.1 CSc1ncc(cn1)O AB04983 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,1,0,0,0,0|1,1,0]=4 884 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl MB03556 [1,1,0,0,0,0|1,0,1]=4 885 B9R1.1 c1cc(ccc1CBr)Br AB00113 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.1 c1cc(ccc1CI)O MB06957 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.1 c1cc(ccc1CN)O AB11678 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.2 CCc1cccc(n1)Br MB10338 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.2 CNc1cc(cnc1)O MB32689 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|1,0,0]=3 899 B9R1.2 CNc1cccc(n1)Br AB50070 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.2 CNc1ccnc(c1)Cl AB60612 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.2 COc1cc(ccn1)Br AB44876 [1,1,0,0,0,0|1,1,0]=4 903 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|1,1,0]=4 904 B9R1.2 COc1cc(ccn1)F AB53299 [1,1,0,0,0,0|1,1,0]=4 905 B9R1.2 COc1cc(ccn1)I MB06098 [1,1,0,0,0,0|1,1,0]=4 906 B9R1.2 COc1cc(ccn1)N PB20942 [1,1,0,0,0,0|1,1,0]=4 907 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|1,1,0]=4 908 B9R1.2 COc1cc(cnc1)Br PB24634 [1,1,0,0,0,0|1,1,0]=4 909 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,1,0,0,0,0|1,1,0]=4 910 B9R1.2 COc1cc(cnc1)F AB66777 [1,1,0,0,0,0|1,1,0]=4 911 B9R1.2 COc1cc(cnc1)I AB43793 [1,1,0,0,0,0|1,1,0]=4 912 B9R1.2 COc1cc(cnc1)N PB12653 [1,1,0,0,0,0|1,1,0]=4 913 B9R1.2 COc1cc(cnc1)N PB25488 [1,1,0,0,0,0|1,1,0]=4 914 B9R1.2 COc1cc(cnc1)O AB29711 [1,1,0,0,0,0|1,1,0]=4 915 B9R1.2 COc1cccc(n1)Cl AB00671 [1,1,0,0,0,0|1,1,0]=4 916 B9R1.2 COc1cccc(n1)F AB55818 [1,1,0,0,0,0|1,1,0]=4 917 B9R1.2 COc1cccc(n1)I AB31101 [1,1,0,0,0,0|1,1,0]=4 918 B9R1.2 COc1cccc(n1)N AB21183 [1,1,0,0,0,0|1,1,0]=4 919 B9R1.2 COc1cccc(n1)O AB31854 [1,1,0,0,0,0|1,1,0]=4 920 B9R1.2 COc1ccnc(c1)Br AB23696 [1,1,0,0,0,0|1,1,0]=4 921 B9R1.2 COc1ccnc(c1)Cl AB10868 [1,1,0,0,0,0|1,1,0]=4 922 B9R1.2 COc1ccnc(c1)F AB66367 [1,1,0,0,0,0|1,1,0]=4 923 B9R1.2 COc1ccnc(c1)N AB41933 [1,1,0,0,0,0|1,1,0]=4 924 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,1,0,0,0,0|1,0,0]=3 926 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|1,0,0]=3 927 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,1,0,0,0,0|1,0,0]=3 928 B9R1.2 CSc1cc(cnc1)O MB28894 [1,1,0,0,0,0|1,0,0]=3 929 B9R1.2 CSc1cc(ncn1)Br MB14195 [1,1,0,0,0,0|2,0,0]=4 930 B9R1.2 CSc1cccc(n1)Br MB07302 [1,1,0,0,0,0|1,0,0]=3 931 B9R1.2 CSc1ccnc(n1)Br MB14073 [1,1,0,0,0,0|2,0,0]=4 932 B9R1.2 CSc1nccc(n1)Br AB54070 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.2 CSc1nccc(n1)Cl PB10012 [1,1,0,0,0,0|2,0,0]=4 934 B9R1.2 CSc1nccc(n1)I AB08843 [1,1,0,0,0,0|2,0,0]=4 935 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,1,0,0,0,0|1,1,0]=4 936 B9R1.2 Cc1cccc(n1)NC AB60602 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,1,0,0,0,0|2,0,0]=4 943 B9R1.6 CC(C)c1ccccn1 PB21659 [1,1,0,0,0,0|2,0,0]=4 944 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,1,0,0,0,0|1,0,0]=3 945 B9R1.6 CC(c1ccccn1)N AB21604 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.6 CC(c1cccnc1)N AB09764 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.6 CC(c1ccncc1)N AB11609 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,1,0,0,0,0|2,0,0]=4 951 B9R1.6 C[C@H](c1ccncc1)N AB49745 [1,1,0,0,0,0|2,0,0]=4 952 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.8 CNCc1ccccn1 AB10674 [1,1,0,0,0,0|2,0,0]=4 954 B9R1.8 CNCc1cccnc1 AB01384 [1,1,0,0,0,0|2,0,0]=4 955 B9R1.8 CNCc1ccncc1 AB02721 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.8 c1cc(cnc1)CCN AB04606 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,1,0,0,0,0|1,0,1]=4 958 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,1,0,0,0,0|1,0,1]=4 959 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,1,0,0,0,0|2,0,0]=4 960 B9R1.8 c1ccnc(c1)CCN AB00732 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.8 c1cnccc1CCN AB01702 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [1,1,0,0,0,0|1,0,0]=3 967 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [1,1,0,0,0,0|2,0,0]=4 968 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [1,1,0,0,0,0|2,0,0]=4 969 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [1,1,0,0,0,0|1,0,0]=3 970 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [1,1,0,0,0,0|2,0,0]=4 971 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [1,1,0,0,0,0|2,0,0]=4 972 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.3 Cc1c(cccc1Br)O MB09253 [1,1,0,0,0,0|0,0,0]=2 974 B9R1.3 Cc1c(cccc1I)O MB23347 [1,1,0,0,0,0|0,0,0]=2 975 B9R1.3 Cc1c(ccnc1Br)Cl AB71053 [1,1,0,0,0,0|2,0,0]=4 976 B9R1.3 Cc1c(ccnc1Br)F AB71081 [1,1,0,0,0,0|2,0,0]=4 977 B9R1.3 Cc1c(ccnc1Cl)Br AB53555 [1,1,0,0,0,0|2,0,0]=4 978 B9R1.3 Cc1c(ccnc1Cl)I AB13660 [1,1,0,0,0,0|2,0,0]=4 979 B9R1.3 Cc1c(ccnc1Cl)N AB75729 [1,1,0,0,0,0|2,0,0]=4 980 B9R1.3 Cc1c(ccnc1Cl)O AB71179 [1,1,0,0,0,0|1,0,0]=3 981 B9R1.3 Cc1c(ccnc1F)Br AB53559 [1,1,0,0,0,0|2,0,0]=4 982 B9R1.3 Cc1c(ccnc1F)N AB82851 [1,1,0,0,0,0|2,0,0]=4 983 B9R1.3 Cc1c(ccnc1F)O AB71301 [1,1,0,0,0,0|1,0,0]=3 984 B9R1.3 Cc1c(ccnc1N)Cl AB70874 [1,1,0,0,0,0|2,0,0]=4 985 B9R1.3 Cc1c(ccnc1N)F AB70896 [1,1,0,0,0,0|2,0,0]=4 986 B9R1.3 Cc1c(ccnc1O)Cl AB71198 [1,1,0,0,0,0|1,0,0]=3 987 B9R1.3 Cc1c(ccnc1O)F AB71318 [1,1,0,0,0,0|1,0,0]=3 988 B9R1.3 Cc1c(cncc1Br)Br AB03597 [1,1,0,0,0,0|2,0,0]=4 989 B9R1.3 Cc1c(cncc1Br)Cl AB75733 [1,1,0,0,0,0|2,0,0]=4 990 B9R1.3 Cc1c(cncc1Br)F AB74995 [1,1,0,0,0,0|2,0,0]=4 991 B9R1.3 Cc1c(cncc1Br)N AB42002 [1,1,0,0,0,0|2,0,0]=4 992 B9R1.3 Cc1c(cncc1Cl)N AB41999 [1,1,0,0,0,0|2,0,0]=4 993 B9R1.3 Cc1c(cncc1Cl)O AB70586 [1,1,0,0,0,0|1,0,0]=3 994 B9R1.3 Cc1c(nccc1Br)C AB74548 [1,1,0,0,0,0|2,0,0]=4 995 B9R1.3 Cc1c(nccc1Cl)C AB72126 [1,1,0,0,0,0|2,0,0]=4 996 B9R1.3 Cc1c(nccc1N)C AB01511 [1,1,0,0,0,0|2,0,0]=4 997 B9R1.3 Cc1c(nccc1O)C AB75493 [1,1,0,0,0,0|1,0,0]=3 998 B9R1.3 Cc1c(ncnc1O)C AB05196 [1,1,0,0,0,0|2,0,0]=4 999 B9R1.3 Cc1cccc(c1Br)O MB08359 [1,1,0,0,0,0|1,0,0]=3 1000 B9R1.3 Cc1cccc(c1Cl)O MB00390 [1,1,0,0,0,0|1,0,0]=3 1001 B9R1.3 Cc1cccc(c1F)N AB25121 [1,1,0,0,0,0|1,0,0]=3 1002 B9R1.3 Cc1cccc(c1I)O MB23494 [1,1,0,0,0,0|1,0,0]=3 1003 B9R1.3 Cc1cccc(c1N)Br MB03160 [1,1,0,0,0,0|1,0,0]=3 1004 B9R1.3 Cc1cccc(c1N)F MB03934 [1,1,0,0,0,0|1,0,0]=3 1005 B9R1.3 Cc1cccc(c1O)F MB11516 [1,1,0,0,0,0|0,0,0]=2 1006 B9R1.3 Cc1cccc(c1O)I MB23471 [1,1,0,0,0,0|0,0,0]=2 1007 B9R1.3 Cc1cccc(c1O)N MB02950 [1,1,0,0,0,0|0,0,0]=2 1008 B9R1.3 Cc1ccnc(c1Br)C AB53712 [1,1,0,0,0,0|2,0,0]=4 1009 B9R1.3 Cc1ccnc(c1Br)Cl PB21837 [1,1,0,0,0,0|2,0,0]=4 1010 B9R1.3 Cc1ccnc(c1Br)F AB44900 [1,1,0,0,0,0|2,0,0]=4 1011 B9R1.3 Cc1ccnc(c1C)Br AB25365 [1,1,0,0,0,0|2,0,0]=4 1012 B9R1.3 Cc1ccnc(c1C)N AB11611 [1,1,0,0,0,0|2,0,0]=4 1013 B9R1.3 Cc1ccnc(c1C)O AB66577 [1,1,0,0,0,0|1,0,0]=3 1014 B9R1.3 Cc1ccnc(c1Cl)Br AB44895 [1,1,0,0,0,0|2,0,0]=4 1015 B9R1.3 Cc1ccnc(c1Cl)N AB53535 [1,1,0,0,0,0|2,0,0]=4 1016 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [1,1,0,0,0,0|2,0,0]=4 1017 B9R1.3 Cc1ccnc(c1N)Br AB17559 [1,1,0,0,0,0|2,0,0]=4 1018 B9R1.3 Cc1ccnc(c1N)C AB43810 [1,1,0,0,0,0|2,0,0]=4 1019 B9R1.3 Cc1ccnc(c1N)Cl PB21708 [1,1,0,0,0,0|2,0,0]=4 1020 B9R1.3 Cc1ccnc(c1N)F AB17625 [1,1,0,0,0,0|2,0,0]=4 1021 B9R1.3 Cc1ccnc(c1N)N PB32179 [1,1,0,0,0,0|2,0,0]=4 1022 B9R1.3 Cc1ccnc(c1O)C AB43831 [1,1,0,0,0,0|1,0,0]=3 1023 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [1,1,0,0,0,0|1,0,0]=3 1024 B9R1.3 Cc1ccnc(c1O)F AB71297 [1,1,0,0,0,0|1,0,0]=3 1025 B9R1.3 Cc1cncc(c1Br)C AB53717 [1,1,0,0,0,0|2,0,0]=4 1026 B9R1.3 Cc1cncc(c1Br)Cl AB74973 [1,1,0,0,0,0|2,0,0]=4 1027 B9R1.3 Cc1cncc(c1Br)F AB74996 [1,1,0,0,0,0|2,0,0]=4 1028 B9R1.3 Cc1cncc(c1C)Br AB64494 [1,1,0,0,0,0|2,0,0]=4 1029 B9R1.3 Cc1cncc(c1C)N AB76783 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.3 Cc1cncc(c1C)O AB65620 [1,1,0,0,0,0|1,0,0]=3 1031 B9R1.3 Cc1cncc(c1Cl)Br AB75732 [1,1,0,0,0,0|2,0,0]=4 1032 B9R1.3 Cc1cncc(c1Cl)C AB50483 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.3 Cc1cncc(c1Cl)N AB75728 [1,1,0,0,0,0|2,0,0]=4 1034 B9R1.3 Cc1cncc(c1Cl)O AB71654 [1,1,0,0,0,0|2,0,0]=4 1035 B9R1.3 Cc1cncc(c1F)Br AB74994 [1,1,0,0,0,0|2,0,0]=4 1036 B9R1.3 Cc1cncc(c1F)N AB66587 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.3 Cc1cncc(c1F)O AB82936 [1,1,0,0,0,0|2,0,0]=4 1038 B9R1.3 Cc1cncc(c1N)C AB14443 [1,1,0,0,0,0|2,0,0]=4 1039 B9R1.3 Cc1cncc(c1N)Cl AB44879 [1,1,0,0,0,0|2,0,0]=4 1040 B9R1.3 Cc1cncc(c1N)F AB75360 [1,1,0,0,0,0|2,0,0]=4 1041 B9R1.3 Cc1cncc(c1N)N AB60255 [1,1,0,0,0,0|2,0,0]=4 1042 B9R1.3 Cc1cncc(c1O)C AB82550 [1,1,0,0,0,0|1,0,0]=3 1043 B9R1.3 Cc1cncc(c1O)Cl AB75744 [1,1,0,0,0,0|1,0,0]=3 1044 B9R1.3 Cc1cncc(c1O)F AB25961 [1,1,0,0,0,0|1,0,0]=3 1045 B9R1.3 Cn1c(=O)cccc1Br MB01001 [1,1,0,0,0,0|1,0,1]=4 1046 B9R1.3 Cn1cccc(c1=O)Br PB32951 [1,1,0,0,0,0|1,0,1]=4 1047 B9R1.3 Cn1cccc(c1=O)N PB15071 [1,1,0,0,0,0|1,0,1]=4 1048 B9R1.3 c1c(c(c(cn1)Br)Cl)O AB74970 [1,1,0,0,0,0|2,0,0]=4 1049 B9R1.3 c1c(c(c(cn1)Br)O)Cl AB66732 [1,1,0,0,0,0|2,0,0]=4 1050 B9R1.3 c1c(c(c(cn1)Br)O)N AB48393 [1,1,0,0,0,0|2,0,0]=4 1051 B9R1.3 c1c(c(c(cn1)Cl)F)O AB82968 [1,1,0,0,0,0|2,0,0]=4 1052 B9R1.3 c1c(c(c(cn1)Cl)N)O AB83899 [1,1,0,0,0,0|2,0,0]=4 1053 B9R1.3 c1c(c(c(cn1)Cl)O)Cl AB02053 [1,1,0,0,0,0|2,0,0]=4 1054 B9R1.3 c1c(c(c(cn1)Cl)O)F AB66744 [1,1,0,0,0,0|2,0,0]=4 1055 B9R1.3 c1c(c(c(cn1)Cl)O)N AB84022 [1,1,0,0,0,0|2,0,0]=4 1056 B9R1.3 c1c(c(c(cn1)Cl)O)O AB84021 [1,1,0,0,0,0|1,1,0]=4 1057 B9R1.3 c1c(c(c(cn1)F)Cl)O AB83144 [1,1,0,0,0,0|2,0,0]=4 1058 B9R1.3 c1c(c(c(cn1)O)Cl)N AB83874 [1,1,0,0,0,0|2,0,0]=4 1059 B9R1.3 c1c(c(c(cn1)O)Cl)O AB83993 [1,1,0,0,0,0|2,0,0]=4 1060 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [1,1,0,0,0,0|1,0,0]=3 1061 B9R1.3 c1cc(c(c(c1)Br)Cl)Br CB11700 [1,1,0,0,0,0|2,0,0]=4 1062 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [1,1,0,0,0,0|1,0,0]=3 1063 B9R1.3 c1cc(c(c(c1)Br)O)Cl MB08152 [1,1,0,0,0,0|1,0,0]=3 1064 B9R1.3 c1cc(c(c(c1)Br)O)N AB44905 [1,1,0,0,0,0|1,0,0]=3 1065 B9R1.3 c1cc(c(c(c1)Cl)Br)N MB08909 [1,1,0,0,0,0|2,0,0]=4 1066 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [1,1,0,0,0,0|1,0,0]=3 1067 B9R1.3 c1cc(c(c(c1)Cl)I)N AB28280 [1,1,0,0,0,0|2,0,0]=4 1068 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [1,1,0,0,0,0|1,0,0]=3 1069 B9R1.3 c1cc(c(c(c1)Cl)N)N AB54530 [1,1,0,0,0,0|2,0,0]=4 1070 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [1,1,0,0,0,0|1,0,0]=3 1071 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [1,1,0,0,0,0|1,0,0]=3 1072 B9R1.3 c1cc(c(c(c1)F)Cl)N AB14054 [1,1,0,0,0,0|2,0,0]=4 1073 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [1,1,0,0,0,0|1,0,0]=3 1074 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [1,1,0,0,0,0|1,0,0]=3 1075 B9R1.3 c1cc(c(c(c1)F)N)N MB00506 [1,1,0,0,0,0|2,0,0]=4 1076 B9R1.3 c1cc(c(c(c1)F)O)N AB45742 [1,1,0,0,0,0|1,0,0]=3 1077 B9R1.3 c1cc(c(c(c1)I)Br)F MB07001 [1,1,0,0,0,0|2,0,0]=4 1078 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [1,1,0,0,0,0|1,0,0]=3 1079 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [1,1,0,0,0,0|1,0,0]=3 1080 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [1,1,0,0,0,0|1,0,0]=3 1081 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [1,1,0,0,0,0|1,0,0]=3 1082 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [1,1,0,0,0,0|1,0,0]=3 1083 B9R1.3 c1cc(c(c(c1)I)O)Br MB25662 [1,1,0,0,0,0|1,0,0]=3 1084 B9R1.3 c1cc(c(c(c1)I)O)Cl MB14795 [1,1,0,0,0,0|1,0,0]=3 1085 B9R1.3 c1cc(c(c(c1)I)O)F MB05032 [1,1,0,0,0,0|1,0,0]=3 1086 B9R1.3 c1cc(c(c(c1)I)O)I MB25505 [1,1,0,0,0,0|1,0,0]=3 1087 B9R1.3 c1cc(c(c(c1)I)O)N MB35855 [1,1,0,0,0,0|1,0,0]=3 1088 B9R1.3 c1cc(c(c(c1)N)O)N MB01221 [1,1,0,0,0,0|1,0,0]=3 1089 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [1,1,0,0,0,0|1,0,0]=3 1090 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [1,1,0,0,0,0|1,0,0]=3 1091 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [1,1,0,0,0,0|1,0,0]=3 1092 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [1,1,0,0,0,0|1,0,0]=3 1093 B9R1.3 c1cnc(c(c1Br)Cl)O AB70927 [1,1,0,0,0,0|2,0,0]=4 1094 B9R1.3 c1cnc(c(c1Br)O)Cl AB70925 [1,1,0,0,0,0|2,0,0]=4 1095 B9R1.3 c1cnc(c(c1Cl)Cl)O AB71282 [1,1,0,0,0,0|2,0,0]=4 1096 B9R1.3 c1cnc(c(c1Cl)F)O AB71156 [1,1,0,0,0,0|2,0,0]=4 1097 B9R1.3 c1cnc(c(c1Cl)N)O AB75026 [1,1,0,0,0,0|2,0,0]=4 1098 B9R1.3 c1cnc(c(c1Cl)O)Br AB74968 [1,1,0,0,0,0|2,0,0]=4 1099 B9R1.3 c1cnc(c(c1Cl)O)Cl AB70492 [1,1,0,0,0,0|2,0,0]=4 1100 B9R1.3 c1cnc(c(c1Cl)O)F AB71148 [1,1,0,0,0,0|2,0,0]=4 1101 B9R1.3 c1cnc(c(c1Cl)O)N AB53290 [1,1,0,0,0,0|2,0,0]=4 1102 B9R1.3 c1cnc(c(c1Cl)O)O AB83983 [1,1,0,0,0,0|1,1,0]=4 1103 B9R1.3 c1cnc(c(c1F)Cl)O AB71146 [1,1,0,0,0,0|2,0,0]=4 1104 B9R1.3 c1cnc(c(c1I)O)I MB09113 [1,1,0,0,0,0|2,0,0]=4 1105 B9R1.3 c1cnc(c(c1N)Cl)O AB51578 [1,1,0,0,0,0|2,0,0]=4 1106 B9R1.3 c1cnc(c(c1N)O)Cl AB70863 [1,1,0,0,0,0|2,0,0]=4 1107 B9R1.3 c1cnc(c(c1O)Cl)Br AB74964 [1,1,0,0,0,0|2,0,0]=4 1108 B9R1.3 c1cnc(c(c1O)Cl)Cl AB71281 [1,1,0,0,0,0|2,0,0]=4 1109 B9R1.3 c1cnc(c(c1O)Cl)F AB71141 [1,1,0,0,0,0|2,0,0]=4 1110 B9R1.3 c1cnc(c(c1O)Cl)N AB74554 [1,1,0,0,0,0|2,0,0]=4 1111 B9R1.3 c1cnc(c(c1O)Cl)O AB09579 [1,1,0,0,0,0|2,0,0]=4 1112 B9R1.3 c1cnc(c(c1O)F)Cl AB69317 [1,1,0,0,0,0|2,0,0]=4 1113 B9R1.3 c1cnc(c(c1O)N)Cl AB76250 [1,1,0,0,0,0|2,0,0]=4 1114 B9R1.3 c1cnc(c(c1O)O)Cl AB70497 [1,1,0,0,0,0|1,1,0]=4 1115 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [1,1,0,0,0,0|2,0,0]=4 1116 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [1,1,0,0,0,0|2,0,0]=4 1117 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [1,1,0,0,0,0|2,0,0]=4 1118 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [1,1,0,0,0,0|2,0,0]=4 1119 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [1,1,0,0,0,0|2,0,0]=4 1120 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [1,1,0,0,0,0|2,0,0]=4 1121 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [1,1,0,0,0,0|2,0,0]=4 1122 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [1,1,0,0,0,0|2,0,0]=4 1123 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [1,1,0,0,0,0|2,0,0]=4 1124 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [1,1,0,0,0,0|2,0,0]=4 1125 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [1,1,0,0,0,0|2,0,0]=4 1126 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [1,1,0,0,0,0|2,0,0]=4 1127 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [1,1,0,0,0,0|2,0,0]=4 1128 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [1,1,0,0,0,0|2,0,0]=4 1129 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [1,1,0,0,0,0|2,0,0]=4 1130 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [1,1,0,0,0,0|2,0,0]=4 1131 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [1,1,0,0,0,0|2,0,0]=4 1132 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [1,1,0,0,0,0|2,0,0]=4 1133 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [1,1,0,0,0,0|2,0,0]=4 1134 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [1,1,0,0,0,0|2,0,0]=4 1135 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [1,1,0,0,0,0|2,0,0]=4 1136 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [1,1,0,0,0,0|2,0,0]=4 1137 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [1,1,0,0,0,0|2,0,0]=4 1138 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [1,1,0,0,0,0|2,0,0]=4 1139 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [1,1,0,0,0,0|2,0,0]=4 1140 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [1,1,0,0,0,0|2,0,0]=4 1141 B9R1.69 Cc1c(ncc(n1)Br)O AB85718 [1,1,0,0,0,0|2,0,0]=4 1142 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [1,1,0,0,0,0|2,0,0]=4 1143 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [1,1,0,0,0,0|2,0,0]=4 1144 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [1,1,0,0,0,0|1,0,0]=3 1145 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [1,1,0,0,0,0|2,0,0]=4 1146 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [1,1,0,0,0,0|2,0,0]=4 1147 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [1,1,0,0,0,0|2,0,0]=4 1148 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [1,1,0,0,0,0|2,0,0]=4 1149 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [1,1,0,0,0,0|2,0,0]=4 1150 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [1,1,0,0,0,0|2,0,0]=4 1151 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [1,1,0,0,0,0|1,0,0]=3 1152 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [1,1,0,0,0,0|2,0,0]=4 1153 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [1,1,0,0,0,0|2,0,0]=4 1154 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [1,1,0,0,0,0|2,0,0]=4 1155 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [1,1,0,0,0,0|2,0,0]=4 1156 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [1,1,0,0,0,0|1,0,0]=3 1157 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [1,1,0,0,0,0|2,0,0]=4 1158 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [1,1,0,0,0,0|2,0,0]=4 1159 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [1,1,0,0,0,0|2,0,0]=4 1160 B9R1.69 Cc1cc(cc[n+]1[O-])Br AB70404 [1,1,0,0,0,0|1,0,1]=4 1161 B9R1.69 Cc1cc(ccc1I)O MB06793 [1,1,0,0,0,0|1,0,0]=3 1162 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [1,1,0,0,0,0|2,0,0]=4 1163 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [1,1,0,0,0,0|2,0,0]=4 1164 B9R1.69 Cc1cc(cnc1Br)F AB53312 [1,1,0,0,0,0|2,0,0]=4 1165 B9R1.69 Cc1cc(cnc1Br)N AB13464 [1,1,0,0,0,0|2,0,0]=4 1166 B9R1.69 Cc1cc(cnc1Br)O AB53545 [1,1,0,0,0,0|2,0,0]=4 1167 B9R1.69 Cc1cc(cnc1C)Br AB64498 [1,1,0,0,0,0|2,0,0]=4 1168 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [1,1,0,0,0,0|2,0,0]=4 1169 B9R1.69 Cc1cc(cnc1C)N AB42833 [1,1,0,0,0,0|2,0,0]=4 1170 B9R1.69 Cc1cc(cnc1C)O AB65534 [1,1,0,0,0,0|2,0,0]=4 1171 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [1,1,0,0,0,0|2,0,0]=4 1172 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [1,1,0,0,0,0|2,0,0]=4 1173 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [1,1,0,0,0,0|2,0,0]=4 1174 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [1,1,0,0,0,0|2,0,0]=4 1175 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [1,1,0,0,0,0|2,0,0]=4 1176 B9R1.69 Cc1cc(cnc1F)Br AB13475 [1,1,0,0,0,0|2,0,0]=4 1177 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [1,1,0,0,0,0|2,0,0]=4 1178 B9R1.69 Cc1cc(cnc1F)N AB13474 [1,1,0,0,0,0|2,0,0]=4 1179 B9R1.69 Cc1cc(cnc1F)O AB53562 [1,1,0,0,0,0|2,0,0]=4 1180 B9R1.69 Cc1cc(cnc1I)Br AB42361 [1,1,0,0,0,0|2,0,0]=4 1181 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [1,1,0,0,0,0|2,0,0]=4 1182 B9R1.69 Cc1cc(cnc1N)Br AB02787 [1,1,0,0,0,0|2,0,0]=4 1183 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [1,1,0,0,0,0|2,0,0]=4 1184 B9R1.69 Cc1cc(cnc1N)F AB41238 [1,1,0,0,0,0|2,0,0]=4 1185 B9R1.69 Cc1cc(cnc1N)I AB10923 [1,1,0,0,0,0|2,0,0]=4 1186 B9R1.69 Cc1cc(cnc1O)Br AB15087 [1,1,0,0,0,0|1,0,0]=3 1187 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [1,1,0,0,0,0|1,0,0]=3 1188 B9R1.69 Cc1cc(cnc1O)F AB82901 [1,1,0,0,0,0|1,0,0]=3 1189 B9R1.69 Cc1cc(cnc1O)I CB10781 [1,1,0,0,0,0|1,0,0]=3 1190 B9R1.69 Cc1cc(cnc1O)N AB41215 [1,1,0,0,0,0|1,0,0]=3 1191 B9R1.69 Cc1cc(ncc1Br)Br AB05276 [1,1,0,0,0,0|2,0,0]=4 1192 B9R1.69 Cc1cc(ncc1Br)C AB53714 [1,1,0,0,0,0|2,0,0]=4 1193 B9R1.69 Cc1cc(ncc1Br)Cl AB15095 [1,1,0,0,0,0|2,0,0]=4 1194 B9R1.69 Cc1cc(ncc1Br)F AB53532 [1,1,0,0,0,0|2,0,0]=4 1195 B9R1.69 Cc1cc(ncc1Br)I AB52611 [1,1,0,0,0,0|2,0,0]=4 1196 B9R1.69 Cc1cc(ncc1Br)N AB15088 [1,1,0,0,0,0|2,0,0]=4 1197 B9R1.69 Cc1cc(ncc1Br)O AB15096 [1,1,0,0,0,0|2,0,0]=4 1198 B9R1.69 Cc1cc(ncc1C)Br AB64948 [1,1,0,0,0,0|2,0,0]=4 1199 B9R1.69 Cc1cc(ncc1C)N AB49139 [1,1,0,0,0,0|2,0,0]=4 1200 B9R1.69 Cc1cc(ncc1C)O AB71287 [1,1,0,0,0,0|2,0,0]=4 1201 B9R1.69 Cc1cc(ncc1Cl)Br AB64601 [1,1,0,0,0,0|2,0,0]=4 1202 B9R1.69 Cc1cc(ncc1Cl)Cl AB41172 [1,1,0,0,0,0|2,0,0]=4 1203 B9R1.69 Cc1cc(ncc1Cl)N AB24850 [1,1,0,0,0,0|2,0,0]=4 1204 B9R1.69 Cc1cc(ncc1Cl)O AB41155 [1,1,0,0,0,0|2,0,0]=4 1205 B9R1.69 Cc1cc(ncc1F)Br AB44912 [1,1,0,0,0,0|2,0,0]=4 1206 B9R1.69 Cc1cc(ncc1I)N AB25384 [1,1,0,0,0,0|2,0,0]=4 1207 B9R1.69 Cc1cc(ncc1N)Br PB25040 [1,1,0,0,0,0|2,0,0]=4 1208 B9R1.69 Cc1cc(ncc1N)C AB41994 [1,1,0,0,0,0|2,0,0]=4 1209 B9R1.69 Cc1cc(ncc1N)F AB53863 [1,1,0,0,0,0|2,0,0]=4 1210 B9R1.69 Cc1cc(ncc1O)C AB44457 [1,1,0,0,0,0|1,0,0]=3 1211 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [1,1,0,0,0,0|1,0,0]=3 1212 B9R1.69 Cc1cc(ncc1O)F AB71303 [1,1,0,0,0,0|1,0,0]=3 1213 B9R1.69 Cc1cc(nnc1O)O PB15638 [1,1,0,0,0,0|2,0,0]=4 1214 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [1,1,0,0,0,0|1,0,0]=3 1215 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [1,1,0,0,0,0|2,0,0]=4 1216 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [1,1,0,0,0,0|1,0,0]=3 1217 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [1,1,0,0,0,0|2,0,0]=4 1218 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [1,1,0,0,0,0|1,0,0]=3 1219 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [1,1,0,0,0,0|1,0,0]=3 1220 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [1,1,0,0,0,0|1,0,0]=3 1221 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [1,1,0,0,0,0|2,0,0]=4 1222 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [1,1,0,0,0,0|2,0,0]=4 1223 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [1,1,0,0,0,0|2,0,0]=4 1224 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [1,1,0,0,0,0|2,0,0]=4 1225 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [1,1,0,0,0,0|2,0,0]=4 1226 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [1,1,0,0,0,0|2,0,0]=4 1227 B9R1.69 Cc1ccc(cc1I)O MB07177 [1,1,0,0,0,0|1,0,0]=3 1228 B9R1.69 Cc1ccc(cc1O)Br MB05210 [1,1,0,0,0,0|0,0,0]=2 1229 B9R1.69 Cc1ccc(cc1O)I MB12091 [1,1,0,0,0,0|0,0,0]=2 1230 B9R1.69 Cc1ccc(nc1Br)Br AB16615 [1,1,0,0,0,0|2,0,0]=4 1231 B9R1.69 Cc1ccc(nc1Br)C AB65454 [1,1,0,0,0,0|2,0,0]=4 1232 B9R1.69 Cc1ccc(nc1Br)Cl AB62917 [1,1,0,0,0,0|2,0,0]=4 1233 B9R1.69 Cc1ccc(nc1Br)F AB71569 [1,1,0,0,0,0|2,0,0]=4 1234 B9R1.69 Cc1ccc(nc1C)Br AB64947 [1,1,0,0,0,0|2,0,0]=4 1235 B9R1.69 Cc1ccc(nc1C)N AB23050 [1,1,0,0,0,0|2,0,0]=4 1236 B9R1.69 Cc1ccc(nc1C)O AB54521 [1,1,0,0,0,0|2,0,0]=4 1237 B9R1.69 Cc1ccc(nc1Cl)Br AB74690 [1,1,0,0,0,0|2,0,0]=4 1238 B9R1.69 Cc1ccc(nc1Cl)N AB70428 [1,1,0,0,0,0|2,0,0]=4 1239 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [1,1,0,0,0,0|2,0,0]=4 1240 B9R1.69 Cc1ccc(nc1F)Br AB74556 [1,1,0,0,0,0|2,0,0]=4 1241 B9R1.69 Cc1ccc(nc1F)N AB83080 [1,1,0,0,0,0|2,0,0]=4 1242 B9R1.69 Cc1ccc(nc1F)O AB71306 [1,1,0,0,0,0|2,0,0]=4 1243 B9R1.69 Cc1ccc(nc1N)Br AB71668 [1,1,0,0,0,0|2,0,0]=4 1244 B9R1.69 Cc1ccc(nc1N)C AB25382 [1,1,0,0,0,0|2,0,0]=4 1245 B9R1.69 Cc1ccc(nc1N)Cl AB73562 [1,1,0,0,0,0|2,0,0]=4 1246 B9R1.69 Cc1ccc(nc1N)F AB82883 [1,1,0,0,0,0|2,0,0]=4 1247 B9R1.69 Cc1ccc(nc1N)N AB43423 [1,1,0,0,0,0|2,0,0]=4 1248 B9R1.69 Cc1ccc(nc1O)C AB71286 [1,1,0,0,0,0|1,0,0]=3 1249 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [1,1,0,0,0,0|1,0,0]=3 1250 B9R1.69 Cc1ccc(nc1O)F AB82880 [1,1,0,0,0,0|1,0,0]=3 1251 B9R1.69 Cc1cnc(cc1Br)Cl AB63102 [1,1,0,0,0,0|2,0,0]=4 1252 B9R1.69 Cc1cnc(cc1Br)F AB71091 [1,1,0,0,0,0|2,0,0]=4 1253 B9R1.69 Cc1cnc(cc1Cl)Br AB63106 [1,1,0,0,0,0|2,0,0]=4 1254 B9R1.69 Cc1cnc(cc1Cl)N AB63097 [1,1,0,0,0,0|2,0,0]=4 1255 B9R1.69 Cc1cnc(cc1Cl)O AB71200 [1,1,0,0,0,0|2,0,0]=4 1256 B9R1.69 Cc1cnc(cc1F)Br AB71082 [1,1,0,0,0,0|2,0,0]=4 1257 B9R1.69 Cc1cnc(cc1F)N AB70899 [1,1,0,0,0,0|2,0,0]=4 1258 B9R1.69 Cc1cnc(cc1F)O AB71320 [1,1,0,0,0,0|2,0,0]=4 1259 B9R1.69 Cc1cnc(cc1N)Br AB63107 [1,1,0,0,0,0|2,0,0]=4 1260 B9R1.69 Cc1cnc(cc1N)Cl AB65156 [1,1,0,0,0,0|2,0,0]=4 1261 B9R1.69 Cc1cnc(cc1N)F AB82864 [1,1,0,0,0,0|2,0,0]=4 1262 B9R1.69 Cc1cnc(cc1O)Cl AB71181 [1,1,0,0,0,0|1,0,0]=3 1263 B9R1.69 Cc1cnc(cc1O)F AB71302 [1,1,0,0,0,0|1,0,0]=3 1264 B9R1.69 Cc1cnc(nc1O)C AB21544 [1,1,0,0,0,0|2,0,0]=4 1265 B9R1.69 Cn1cc(ccc1=O)Br PB32830 [1,1,0,0,0,0|1,0,1]=4 1266 B9R1.69 Cn1cc(ccc1=O)N PB19693 [1,1,0,0,0,0|1,0,1]=4 1267 B9R1.69 Cn1ccc(cc1=O)Br PB26645 [1,1,0,0,0,0|1,0,1]=4 1268 B9R1.69 Cn1ccc(cc1=O)Cl MB19760 [1,1,0,0,0,0|1,0,1]=4 1269 B9R1.69 Cn1ccc(cc1=O)I MB14735 [1,1,0,0,0,0|1,0,1]=4 1270 B9R1.69 Cn1ccc(cc1=O)N PB11442 [1,1,0,0,0,0|1,0,1]=4 1271 B9R1.69 c1c(c(cnc1Br)Br)O AB63125 [1,1,0,0,0,0|2,0,0]=4 1272 B9R1.69 c1c(c(cnc1Br)Cl)O AB69302 [1,1,0,0,0,0|2,0,0]=4 1273 B9R1.69 c1c(c(cnc1Br)F)O AB69315 [1,1,0,0,0,0|2,0,0]=4 1274 B9R1.69 c1c(c(cnc1Br)O)Cl AB74967 [1,1,0,0,0,0|2,0,0]=4 1275 B9R1.69 c1c(c(cnc1Cl)Br)O AB69298 [1,1,0,0,0,0|2,0,0]=4 1276 B9R1.69 c1c(c(cnc1Cl)Cl)O AB10186 [1,1,0,0,0,0|2,0,0]=4 1277 B9R1.69 c1c(c(cnc1Cl)F)O AB69309 [1,1,0,0,0,0|2,0,0]=4 1278 B9R1.69 c1c(c(cnc1Cl)N)O AB69320 [1,1,0,0,0,0|2,0,0]=4 1279 B9R1.69 c1c(c(cnc1Cl)O)Cl AB69698 [1,1,0,0,0,0|2,0,0]=4 1280 B9R1.69 c1c(c(cnc1Cl)O)N AB69322 [1,1,0,0,0,0|2,0,0]=4 1281 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [1,1,0,0,0,0|1,1,0]=4 1282 B9R1.69 c1c(c(cnc1F)O)Cl AB71151 [1,1,0,0,0,0|2,0,0]=4 1283 B9R1.69 c1c(c(cnc1N)Cl)O AB42978 [1,1,0,0,0,0|2,0,0]=4 1284 B9R1.69 c1c(c(cnc1N)O)Cl AB84009 [1,1,0,0,0,0|2,0,0]=4 1285 B9R1.69 c1c(c(cnc1O)O)Cl AB84006 [1,1,0,0,0,0|2,0,0]=4 1286 B9R1.69 c1c(cnc(c1Br)O)Br AB01360 [1,1,0,0,0,0|2,0,0]=4 1287 B9R1.69 c1c(cnc(c1Br)O)Cl AB09921 [1,1,0,0,0,0|2,0,0]=4 1288 B9R1.69 c1c(cnc(c1Cl)O)Br AB05076 [1,1,0,0,0,0|2,0,0]=4 1289 B9R1.69 c1c(cnc(c1Cl)O)Cl AB03534 [1,1,0,0,0,0|2,0,0]=4 1290 B9R1.69 c1c(cnc(c1Cl)O)F AB66743 [1,1,0,0,0,0|2,0,0]=4 1291 B9R1.69 c1c(cnc(c1Cl)O)N AB76242 [1,1,0,0,0,0|2,0,0]=4 1292 B9R1.69 c1c(cnc(c1Cl)O)O AB71133 [1,1,0,0,0,0|2,0,0]=4 1293 B9R1.69 c1c(cnc(c1F)O)Br AB40961 [1,1,0,0,0,0|2,0,0]=4 1294 B9R1.69 c1c(cnc(c1F)O)Cl AB41032 [1,1,0,0,0,0|2,0,0]=4 1295 B9R1.69 c1c(cnc(c1I)O)Br AB48195 [1,1,0,0,0,0|2,0,0]=4 1296 B9R1.69 c1c(cnc(c1N)O)Br AB16428 [1,1,0,0,0,0|2,0,0]=4 1297 B9R1.69 c1c(cnc(c1N)O)Cl AB40990 [1,1,0,0,0,0|2,0,0]=4 1298 B9R1.69 c1c(cnc(c1N)O)N AB64414 [1,1,0,0,0,0|2,0,0]=4 1299 B9R1.69 c1c(cnc(c1N)S)Br AB40982 [1,1,0,0,0,0|2,0,0]=4 1300 B9R1.69 c1c(cnc(c1N)S)Cl AB41057 [1,1,0,0,0,0|2,0,0]=4 1301 B9R1.69 c1c(cnc(c1O)Br)F MB09912 [1,1,0,0,0,0|2,0,0]=4 1302 B9R1.69 c1c(cnc(c1O)Cl)Br PB17565 [1,1,0,0,0,0|2,0,0]=4 1303 B9R1.69 c1c(cnc(c1O)Cl)Cl AB66760 [1,1,0,0,0,0|2,0,0]=4 1304 B9R1.69 c1c(cnc(c1O)Cl)F AB13634 [1,1,0,0,0,0|2,0,0]=4 1305 B9R1.69 c1c(cnc(c1O)Cl)N AB76704 [1,1,0,0,0,0|2,0,0]=4 1306 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [1,1,0,0,0,0|2,0,0]=4 1307 B9R1.69 c1cc(c(cc1Br)Br)I AB51495 [1,1,0,0,0,0|2,0,0]=4 1308 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [1,1,0,0,0,0|1,0,0]=3 1309 B9R1.69 c1cc(c(cc1Br)I)N AB10839 [1,1,0,0,0,0|2,0,0]=4 1310 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [1,1,0,0,0,0|1,0,0]=3 1311 B9R1.69 c1cc(c(cc1Br)N)I AB51497 [1,1,0,0,0,0|2,0,0]=4 1312 B9R1.69 c1cc(c(cc1Br)N)N AB11949 [1,1,0,0,0,0|2,0,0]=4 1313 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [1,1,0,0,0,0|1,0,0]=3 1314 B9R1.69 c1cc(c(cc1Br)N)S AB54823 [1,1,0,0,0,0|1,0,0]=3 1315 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [1,1,0,0,0,0|1,0,0]=3 1316 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [1,1,0,0,0,0|1,0,0]=3 1317 B9R1.69 c1cc(c(cc1Br)S)N AB07437 [1,1,0,0,0,0|1,0,0]=3 1318 B9R1.69 c1cc(c(cc1Cl)I)N PB21792 [1,1,0,0,0,0|2,0,0]=4 1319 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [1,1,0,0,0,0|1,0,0]=3 1320 B9R1.69 c1cc(c(cc1Cl)N)I AB28269 [1,1,0,0,0,0|2,0,0]=4 1321 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [1,1,0,0,0,0|1,0,0]=3 1322 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [1,1,0,0,0,0|1,0,0]=3 1323 B9R1.69 c1cc(c(cc1Cl)S)N AB13353 [1,1,0,0,0,0|1,0,0]=3 1324 B9R1.69 c1cc(c(cc1F)F)I MB00398 [1,1,0,0,0,0|2,0,0]=4 1325 B9R1.69 c1cc(c(cc1F)I)N AB01932 [1,1,0,0,0,0|2,0,0]=4 1326 B9R1.69 c1cc(c(cc1F)I)O MB14767 [1,1,0,0,0,0|1,0,0]=3 1327 B9R1.69 c1cc(c(cc1F)N)N AB01910 [1,1,0,0,0,0|2,0,0]=4 1328 B9R1.69 c1cc(c(cc1F)N)S AB54821 [1,1,0,0,0,0|1,0,0]=3 1329 B9R1.69 c1cc(c(cc1F)O)I MB25431 [1,1,0,0,0,0|1,0,0]=3 1330 B9R1.69 c1cc(c(cc1F)S)N AB54817 [1,1,0,0,0,0|1,0,0]=3 1331 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [1,1,0,0,0,0|1,0,0]=3 1332 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [1,1,0,0,0,0|1,0,0]=3 1333 B9R1.69 c1cc(c(cc1I)F)O MB09308 [1,1,0,0,0,0|1,0,0]=3 1334 B9R1.69 c1cc(c(cc1I)I)O MB01999 [1,1,0,0,0,0|1,0,0]=3 1335 B9R1.69 c1cc(c(cc1I)N)Cl AB64100 [1,1,0,0,0,0|2,0,0]=4 1336 B9R1.69 c1cc(c(cc1I)N)O MB14432 [1,1,0,0,0,0|1,0,0]=3 1337 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [1,1,0,0,0,0|1,0,0]=3 1338 B9R1.69 c1cc(c(cc1I)O)F MB14983 [1,1,0,0,0,0|1,0,0]=3 1339 B9R1.69 c1cc(c(cc1I)O)I MB07529 [1,1,0,0,0,0|1,0,0]=3 1340 B9R1.69 c1cc(c(cc1I)O)N MB14436 [1,1,0,0,0,0|1,0,0]=3 1341 B9R1.69 c1cc(c(cc1N)Cl)I AB02146 [1,1,0,0,0,0|2,0,0]=4 1342 B9R1.69 c1cc(c(cc1N)F)Cl AB08243 [1,1,0,0,0,0|2,0,0]=4 1343 B9R1.69 c1cc(c(cc1N)F)I AB42340 [1,1,0,0,0,0|2,0,0]=4 1344 B9R1.69 c1cc(c(cc1N)F)N MB08293 [1,1,0,0,0,0|2,0,0]=4 1345 B9R1.69 c1cc(c(cc1N)I)Cl MB09944 [1,1,0,0,0,0|2,0,0]=4 1346 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [1,1,0,0,0,0|1,0,0]=3 1347 B9R1.69 c1cc(c(cc1N)O)F MB13362 [1,1,0,0,0,0|1,0,0]=3 1348 B9R1.69 c1cc(c(cc1N)O)I MB37209 [1,1,0,0,0,0|1,0,0]=3 1349 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [1,1,0,0,0,0|2,0,0]=4 1350 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [1,1,0,0,0,0|2,0,0]=4 1351 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [1,1,0,0,0,0|2,0,0]=4 1352 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [1,1,0,0,0,0|2,0,0]=4 1353 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [1,1,0,0,0,0|2,0,0]=4 1354 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [1,1,0,0,0,0|2,0,0]=4 1355 B9R1.69 c1cc(c(cc1O)F)I MB11930 [1,1,0,0,0,0|2,0,0]=4 1356 B9R1.69 c1cc(c(cc1O)F)N AB09438 [1,1,0,0,0,0|2,0,0]=4 1357 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [1,1,0,0,0,0|2,0,0]=4 1358 B9R1.69 c1cc(c(cc1O)I)F MB25606 [1,1,0,0,0,0|2,0,0]=4 1359 B9R1.69 c1cc(c(cc1O)I)I MB25449 [1,1,0,0,0,0|2,0,0]=4 1360 B9R1.69 c1cc(c(cc1O)I)N MB25412 [1,1,0,0,0,0|2,0,0]=4 1361 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [1,1,0,0,0,0|2,0,0]=4 1362 B9R1.69 c1cc(c(cc1O)N)I MB13452 [1,1,0,0,0,0|2,0,0]=4 1363 B9R1.69 c1cc(c(cc1O)N)N MB04238 [1,1,0,0,0,0|2,0,0]=4 1364 B9R1.69 c1cc(nc(c1Cl)O)Br AB84077 [1,1,0,0,0,0|2,0,0]=4 1365 B9R1.69 c1cc(nc(c1Cl)O)Cl AB10185 [1,1,0,0,0,0|2,0,0]=4 1366 B9R1.69 c1cc(nc(c1Cl)O)N AB84080 [1,1,0,0,0,0|2,0,0]=4 1367 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [1,1,0,0,0,0|2,0,0]=4 1368 B9R1.69 c1cc(nc(c1F)O)Cl AB83102 [1,1,0,0,0,0|2,0,0]=4 1369 B9R1.69 c1cc(nc(c1N)O)Br AB26870 [1,1,0,0,0,0|2,0,0]=4 1370 B9R1.69 c1cc(nc(c1O)Cl)Br AB64867 [1,1,0,0,0,0|2,0,0]=4 1371 B9R1.69 c1cc(nc(c1O)Cl)Cl AB62926 [1,1,0,0,0,0|2,0,0]=4 1372 B9R1.69 c1cc(nc(c1O)Cl)N AB84093 [1,1,0,0,0,0|2,0,0]=4 1373 B9R1.69 c1cc(nc(c1O)Cl)O AB71131 [1,1,0,0,0,0|2,0,0]=4 1374 B9R1.69 c1cc(nc(c1O)N)Br AB63559 [1,1,0,0,0,0|2,0,0]=4 1375 B9R1.69 c1cc(nc(c1O)N)Cl AB69334 [1,1,0,0,0,0|2,0,0]=4 1376 B11R1.8 COc1cc(cc(c1F)F)Br AB09370 [0,2,0,0,0,0|1,1,0]=4 1377 B11R1.8 Cc1cc(cc(c1N)OC)Br AB45704 [0,2,0,0,0,0|1,1,0]=4 1378 B11R1.8 Cc1cc(cc(c1O)OC)Br PB12607 [0,2,0,0,0,0|0,1,0]=3 1379 B11R1.8 c1c(cc(c(c1C=O)O)Br)Br CB10011 [0,2,0,0,0,0|2,0,0]=4 1380 B11R1.8 c1c(cc(c(c1C=O)O)F)Br AB16030 [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.13 C=CCc1cccc(c1O)N MB13698 [0,2,0,0,0,0|1,0,1]=4 1382 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [0,2,0,0,0,0|2,0,0]=4 1383 B11R1.13 c1cnc(c(c1CCN)O)Cl AB84113 [0,2,0,0,0,0|2,0,0]=4 1384 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [0,2,0,0,0,0|2,0,0]=4 1385 B11R1.72 c1cc(c(c(c1F)C=O)O)F CB11113 [0,2,0,0,0,0|2,0,0]=4 1386 B11R1.159 B(c1cccc(c1O)C)(O)O AB48273 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.159 B(c1cccc(c1O)Cl)(O)O AB48275 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.159 B(c1cccc(c1O)F)(O)O AB42638 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [0,2,0,0,0,0|2,0,0]=4 1391 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,2,0,0,0,0|1,0,0]=3 1395 B11R1.159 CC(=O)c1ccnc(c1O)Br AB84119 [0,2,0,0,0,0|2,0,0]=4 1396 B11R1.159 CC(=O)c1ccnc(c1O)Cl AB74852 [0,2,0,0,0,0|2,0,0]=4 1397 B11R1.159 CC(=O)c1ccnc(c1O)N AB84121 [0,2,0,0,0,0|2,0,0]=4 1398 B11R1.159 CC(=O)c1cncc(c1O)Br AB84178 [0,2,0,0,0,0|2,0,0]=4 1399 B11R1.159 CC(=O)c1cncc(c1O)Cl AB84029 [0,2,0,0,0,0|2,0,0]=4 1400 B11R1.159 CC(=O)c1cncc(c1O)N AB84182 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.159 CC(C)c1cccc(c1Br)O MB22666 [0,2,0,0,0,0|2,0,0]=4 1402 B11R1.159 CC(C)c1cccc(c1Cl)O MB22669 [0,2,0,0,0,0|2,0,0]=4 1403 B11R1.159 CC(C)c1cccc(c1F)O MB22646 [0,2,0,0,0,0|2,0,0]=4 1404 B11R1.159 CC(C)c1cccc(c1I)O MB22650 [0,2,0,0,0,0|2,0,0]=4 1405 B11R1.159 CC(C)c1cccc(c1N)O MB22652 [0,2,0,0,0,0|2,0,0]=4 1406 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [0,2,0,0,0,0|1,0,0]=3 1407 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [0,2,0,0,0,0|1,0,0]=3 1408 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [0,2,0,0,0,0|1,0,0]=3 1409 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [0,2,0,0,0,0|1,0,0]=3 1410 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [0,2,0,0,0,0|1,0,0]=3 1411 B11R1.159 CN(C)c1cccc(c1Br)O MB24971 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.159 CN(C)c1cccc(c1Cl)O MB24972 [0,2,0,0,0,0|2,0,0]=4 1413 B11R1.159 CN(C)c1cccc(c1F)O MB24959 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.159 CN(C)c1cccc(c1I)O MB24960 [0,2,0,0,0,0|2,0,0]=4 1415 B11R1.159 CN(C)c1cccc(c1N)O MB24961 [0,2,0,0,0,0|2,0,0]=4 1416 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [0,2,0,0,0,0|1,0,0]=3 1417 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [0,2,0,0,0,0|1,0,0]=3 1418 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [0,2,0,0,0,0|1,0,0]=3 1419 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [0,2,0,0,0,0|1,0,0]=3 1420 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [0,2,0,0,0,0|1,0,0]=3 1421 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.159 Cc1c(cccc1O)C(C)C MB22624 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.159 Cc1c(cccc1O)N(C)C MB33870 [0,2,0,0,0,0|2,0,0]=4 1424 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,2,0,0,0,0|2,0,0]=4 1425 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [0,2,0,0,0,0|1,0,0]=3 1426 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [0,2,0,0,0,0|1,0,0]=3 1427 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,2,0,0,0,0|2,0,0]=4 1428 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,2,0,0,0,0|2,0,0]=4 1429 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,2,0,0,0,0|2,0,0]=4 1430 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,2,0,0,0,0|2,0,0]=4 1431 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,2,0,0,0,0|2,0,0]=4 1432 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,2,0,0,0,0|2,0,0]=4 1433 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,2,0,0,0,0|2,0,0]=4 1434 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,2,0,0,0,0|2,0,0]=4 1435 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,2,0,0,0,0|2,0,0]=4 1436 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,2,0,0,0,0|2,0,0]=4 1437 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])O)N AB12699 [0,2,0,0,0,0|2,0,0]=4 1438 B11R1.265 CCc1c(cccc1O)C#N MB23560 [0,2,0,0,0,0|1,0,0]=3 1439 B11R1.265 CCc1c(cccc1O)C=O MB23582 [0,2,0,0,0,0|1,0,0]=3 1440 B11R1.265 CCc1c(cccc1O)CN MB23584 [0,2,0,0,0,0|1,0,0]=3 1441 B11R1.265 CCc1c(cccc1O)NC MB23593 [0,2,0,0,0,0|1,0,0]=3 1442 B11R1.265 CCc1c(cccc1OC)O MB23601 [0,2,0,0,0,0|1,0,0]=3 1443 B11R1.265 CCc1c(cccc1SC)O MB23611 [0,2,0,0,0,0|1,0,0]=3 1444 B11R1.265 CCc1cccc(c1C#N)O MB24031 [0,2,0,0,0,0|2,0,0]=4 1445 B11R1.265 CCc1cccc(c1C=O)O MB24050 [0,2,0,0,0,0|1,0,1]=4 1446 B11R1.265 CCc1cccc(c1CC)O MB24051 [0,2,0,0,0,0|1,0,0]=3 1447 B11R1.265 CCc1cccc(c1CN)O MB24052 [0,2,0,0,0,0|2,0,0]=4 1448 B11R1.265 CCc1cccc(c1NC)O MB24062 [0,2,0,0,0,0|1,0,0]=3 1449 B11R1.265 CCc1cccc(c1OC)O MB24065 [0,2,0,0,0,0|0,1,0]=3 1450 B11R1.265 CCc1cccc(c1SC)O MB24077 [0,2,0,0,0,0|0,0,0]=2 1451 B11R1.265 CNc1c(cccc1O)CN MB30193 [0,2,0,0,0,0|1,0,0]=3 1452 B11R1.265 CNc1c(cccc1OC)O MB35055 [0,2,0,0,0,0|1,0,0]=3 1453 B11R1.265 CNc1c(cccc1SC)O MB30027 [0,2,0,0,0,0|1,0,0]=3 1454 B11R1.265 CNc1cccc(c1CN)O MB33011 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.265 CNc1cccc(c1NC)O MB36957 [0,2,0,0,0,0|1,0,0]=3 1456 B11R1.265 CNc1cccc(c1OC)O MB37522 [0,2,0,0,0,0|0,1,0]=3 1457 B11R1.265 CNc1cccc(c1SC)O MB32690 [0,2,0,0,0,0|0,0,0]=2 1458 B11R1.265 COc1c(cccc1Br)C#N CB11301 [0,2,0,0,0,0|1,1,0]=4 1459 B11R1.265 COc1c(cccc1O)C#N MB35446 [0,2,0,0,0,0|0,1,0]=3 1460 B11R1.265 COc1c(cccc1O)C=O MB03871 [0,2,0,0,0,0|0,1,0]=3 1461 B11R1.265 COc1c(cccc1O)CN MB27427 [0,2,0,0,0,0|0,1,0]=3 1462 B11R1.265 COc1cccc(c1C#N)O MB28346 [0,2,0,0,0,0|1,1,0]=4 1463 B11R1.265 COc1cccc(c1C=O)Br MB05120 [0,2,0,0,0,0|0,1,1]=4 1464 B11R1.265 COc1cccc(c1C=O)I AB18152 [0,2,0,0,0,0|0,1,1]=4 1465 B11R1.265 COc1ccnc(c1OC)Cl AB14219 [0,2,0,0,0,0|1,1,0]=4 1466 B11R1.265 CSc1c(cccc1O)C#N MB37108 [0,2,0,0,0,0|0,0,0]=2 1467 B11R1.265 CSc1c(cccc1O)C=O MB26872 [0,2,0,0,0,0|0,0,0]=2 1468 B11R1.265 CSc1c(cccc1O)CN MB33464 [0,2,0,0,0,0|0,0,0]=2 1469 B11R1.265 CSc1cccc(c1C#N)O MB31676 [0,2,0,0,0,0|1,0,0]=3 1470 B11R1.265 CSc1cccc(c1C=O)O MB27306 [0,2,0,0,0,0|0,0,1]=3 1471 B11R1.265 CSc1cccc(c1CN)O MB30038 [0,2,0,0,0,0|1,0,0]=3 1472 B11R1.265 Cc1cccc(c1C#N)OC MB08904 [0,2,0,0,0,0|1,1,0]=4 1473 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [0,2,0,0,0,0|0,1,1]=4 1474 B11R1.265 c1cc(c(c(c1)O)C#N)C=O MB25661 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.265 c1cc(c(c(c1)O)C#N)CN MB37238 [0,2,0,0,0,0|2,0,0]=4 1476 B11R1.265 c1cc(c(c(c1)O)C=O)C#N MB29613 [0,2,0,0,0,0|2,0,0]=4 1477 B11R1.265 c1cc(c(c(c1)O)C=O)C=O MB35004 [0,2,0,0,0,0|2,0,0]=4 1478 B11R1.265 c1cc(c(c(c1)O)C=O)CN MB30151 [0,2,0,0,0,0|2,0,0]=4 1479 B11R1.265 c1cc(c(c(c1)O)CN)C#N MB38764 [0,2,0,0,0,0|2,0,0]=4 1480 B11R1.265 c1cc(c(c(c1)O)CN)C=O MB28913 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.265 c1cc(c(c(c1)O)CN)CN MB32658 [0,2,0,0,0,0|2,0,0]=4 1482 B11R1.267 CCc1cccc(c1O)C#N MB23994 [0,2,0,0,0,0|1,0,0]=3 1483 B11R1.267 CCc1cccc(c1O)C=O MB06560 [0,2,0,0,0,0|1,0,0]=3 1484 B11R1.267 CCc1cccc(c1O)CN MB24013 [0,2,0,0,0,0|1,0,0]=3 1485 B11R1.267 CCc1cccc(c1O)NC MB24023 [0,2,0,0,0,0|1,0,0]=3 1486 B11R1.267 CCc1cccc(c1O)OC MB24092 [0,2,0,0,0,0|0,1,0]=3 1487 B11R1.267 CCc1cccc(c1O)SC MB24093 [0,2,0,0,0,0|0,0,0]=2 1488 B11R1.267 CNc1cccc(c1O)C=O MB27331 [0,2,0,0,0,0|1,0,0]=3 1489 B11R1.267 CNc1cccc(c1O)CN MB25850 [0,2,0,0,0,0|1,0,0]=3 1490 B11R1.267 CNc1cccc(c1O)NC MB29673 [0,2,0,0,0,0|1,0,0]=3 1491 B11R1.267 CNc1cccc(c1O)OC MB37936 [0,2,0,0,0,0|0,1,0]=3 1492 B11R1.267 COc1c(c(ccn1)C=O)O AB74867 [0,2,0,0,0,0|1,1,0]=4 1493 B11R1.267 COc1cccc(c1F)C=O AB14344 [0,2,0,0,0,0|1,1,0]=4 1494 B11R1.267 COc1cccc(c1I)CO AB63858 [0,2,0,0,0,0|1,1,0]=4 1495 B11R1.267 COc1cccc(c1N)C=O AB55845 [0,2,0,0,0,0|1,1,0]=4 1496 B11R1.267 COc1ccnc(c1O)C=O AB76798 [0,2,0,0,0,0|1,1,0]=4 1497 B11R1.267 COc1cncc(c1O)C=O AB74864 [0,2,0,0,0,0|1,1,0]=4 1498 B11R1.267 CSc1cccc(c1O)C#N MB28116 [0,2,0,0,0,0|0,0,0]=2 1499 B11R1.267 CSc1cccc(c1O)C=O MB33773 [0,2,0,0,0,0|0,0,0]=2 1500 B11R1.267 CSc1cccc(c1O)CN MB32890 [0,2,0,0,0,0|0,0,0]=2 1501 B11R1.267 c1cc(c(c(c1)C#N)O)C#N MB37800 [0,2,0,0,0,0|2,0,0]=4 1502 B11R1.267 c1cc(c(c(c1)C#N)O)C=O MB25669 [0,2,0,0,0,0|2,0,0]=4 1503 B11R1.267 c1cc(c(c(c1)C#N)O)CN MB25760 [0,2,0,0,0,0|2,0,0]=4 1504 B11R1.267 c1cc(c(c(c1)CN)O)CN MB25533 [0,2,0,0,0,0|2,0,0]=4 1505 B11R1.17 Cc1ccccc1CCC=O AB42260 [0,2,0,0,0,0|2,0,0]=4 1506 B11R1.17 Cc1ccccc1CCCN AB38679 [0,2,0,0,0,0|2,0,0]=4 1507 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [0,2,0,0,0,0|2,0,0]=4 1509 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [0,2,0,0,0,0|2,0,0]=4 1510 B11R1.17 c1ccc(c(c1)CCCN)Br AB38695 [0,2,0,0,0,0|2,0,0]=4 1511 B11R1.17 c1ccc(c(c1)CCCN)Cl AB23306 [0,2,0,0,0,0|2,0,0]=4 1512 B11R1.17 c1ccc(c(c1)CCCN)F AB38684 [0,2,0,0,0,0|2,0,0]=4 1513 B11R1.41 CCCc1ccccc1NN AB27885 [0,2,0,0,0,0|2,0,0]=4 1514 B11R1.41 CNCc1cnccc1OC AB67885 [0,2,0,0,0,0|2,0,0]=4 1515 B11R1.41 COc1c(cccn1)CCN AB45444 [0,2,0,0,0,0|2,0,0]=4 1516 B11R1.41 COc1ccccc1CC=O AB02842 [0,2,0,0,0,0|0,1,1]=4 1517 B11R1.41 COc1ccccc1CNN PB34218 [0,2,0,0,0,0|1,1,0]=4 1518 B11R1.41 COc1ccncc1CCN AB45493 [0,2,0,0,0,0|2,0,0]=4 1519 B11R1.41 COc1cnccc1CCN AB67567 [0,2,0,0,0,0|2,0,0]=4 1520 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [0,2,0,0,0,0|2,0,0]=4 1521 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,2,0,0,0,0|1,0,0]=3 1522 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,2,0,0,0,0|1,1,0]=4 1523 B11R1.86 CC(C)Oc1ccncc1O MB23246 [0,2,0,0,0,0|1,1,0]=4 1524 B11R1.86 CC(C)Oc1cnccc1O MB23247 [0,2,0,0,0,0|1,1,0]=4 1525 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,2,0,0,0,0|2,0,0]=4 1526 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,2,0,0,0,0|2,0,0]=4 1527 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,2,0,0,0,0|2,0,0]=4 1528 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,2,0,0,0,0|2,0,0]=4 1529 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.182 CCOc1cc(ccc1N)F AB20299 [0,2,0,0,0,0|1,1,0]=4 1531 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,2,0,0,0,0|2,0,0]=4 1532 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,2,0,0,0,0|2,0,0]=4 1533 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,2,0,0,0,0|1,0,0]=3 1534 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,2,0,0,0,0|2,0,0]=4 1535 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,2,0,0,0,0|2,0,0]=4 1536 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,2,0,0,0,0|1,1,0]=4 1537 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,2,0,0,0,0|1,1,0]=4 1538 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,2,0,0,0,0|0,1,0]=3 1539 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,2,0,0,0,0|1,1,0]=4 1540 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,2,0,0,0,0|1,0,0]=3 1541 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,2,0,0,0,0|1,1,0]=4 1542 B11R1.37 CCc1cc(ccc1C#N)O MB23725 [0,2,0,0,0,0|2,0,0]=4 1543 B11R1.37 CCc1cc(ccc1C=O)O MB23751 [0,2,0,0,0,0|1,0,1]=4 1544 B11R1.37 CCc1cc(ccc1CN)O MB23752 [0,2,0,0,0,0|2,0,0]=4 1545 B11R1.37 CCc1cc(ccc1NC)O MB23761 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.37 CCc1cc(ccc1OC)O MB13572 [0,2,0,0,0,0|1,0,0]=3 1547 B11R1.37 CCc1cc(ccc1SC)O MB23769 [0,2,0,0,0,0|1,0,0]=3 1548 B11R1.37 CCc1ccc(cc1C#N)O MB23915 [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.37 CCc1ccc(cc1C=O)O MB23937 [0,2,0,0,0,0|1,0,1]=4 1550 B11R1.37 CCc1ccc(cc1CC)O MB23941 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.37 CCc1ccc(cc1CN)O MB23942 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.37 CCc1ccc(cc1NC)O MB23952 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.37 CCc1ccc(cc1OC)O MB23954 [0,2,0,0,0,0|1,0,0]=3 1554 B11R1.37 CCc1ccc(cc1SC)O MB23964 [0,2,0,0,0,0|1,0,0]=3 1555 B11R1.37 CNc1cc(ccc1C#N)O MB33299 [0,2,0,0,0,0|2,0,0]=4 1556 B11R1.37 CNc1cc(ccc1C=O)O MB38802 [0,2,0,0,0,0|1,0,1]=4 1557 B11R1.37 CNc1cc(ccc1CN)O MB25975 [0,2,0,0,0,0|2,0,0]=4 1558 B11R1.37 CNc1cc(ccc1OC)O MB27280 [0,2,0,0,0,0|1,0,0]=3 1559 B11R1.37 CNc1cc(ccc1SC)O MB34610 [0,2,0,0,0,0|1,0,0]=3 1560 B11R1.37 CNc1cc(cnc1OC)Br AB40963 [0,2,0,0,0,0|2,0,0]=4 1561 B11R1.37 CNc1ccc(cc1C#N)O MB38837 [0,2,0,0,0,0|2,0,0]=4 1562 B11R1.37 CNc1ccc(cc1C=O)O MB25553 [0,2,0,0,0,0|1,0,1]=4 1563 B11R1.37 CNc1ccc(cc1CN)Cl AB52940 [0,2,0,0,0,0|2,0,0]=4 1564 B11R1.37 CNc1ccc(cc1CN)O MB38111 [0,2,0,0,0,0|2,0,0]=4 1565 B11R1.37 CNc1ccc(cc1NC)O MB29942 [0,2,0,0,0,0|2,0,0]=4 1566 B11R1.37 CNc1ccc(cc1OC)O MB33444 [0,2,0,0,0,0|1,0,0]=3 1567 B11R1.37 CNc1ccc(cc1SC)O MB28485 [0,2,0,0,0,0|1,0,0]=3 1568 B11R1.37 COc1c(cc(cn1)Br)CO PB19176 [0,2,0,0,0,0|1,1,0]=4 1569 B11R1.37 COc1cc(ccc1C#N)Br AB27561 [0,2,0,0,0,0|1,1,0]=4 1570 B11R1.37 COc1cc(ccc1C#N)O MB06526 [0,2,0,0,0,0|1,1,0]=4 1571 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [0,2,0,0,0,0|0,1,1]=4 1572 B11R1.37 COc1cc(ccc1CN)O MB05069 [0,2,0,0,0,0|1,1,0]=4 1573 B11R1.37 COc1ccc(cc1C#N)O MB32417 [0,2,0,0,0,0|1,1,0]=4 1574 B11R1.37 COc1ccc(cc1C=O)I AB20799 [0,2,0,0,0,0|0,1,1]=4 1575 B11R1.37 COc1ccc(cc1CCl)Br AB44028 [0,2,0,0,0,0|1,1,0]=4 1576 B11R1.37 COc1ccc(cc1CN)I AB44528 [0,2,0,0,0,0|1,1,0]=4 1577 B11R1.37 COc1ccc(cc1CN)O MB28958 [0,2,0,0,0,0|1,1,0]=4 1578 B11R1.37 COc1ccc(cc1CO)Br MB00140 [0,2,0,0,0,0|0,1,0]=3 1579 B11R1.37 COc1ccc(cc1SC)O MB31332 [0,2,0,0,0,0|0,0,0]=2 1580 B11R1.37 CSc1cc(ccc1C#N)O MB38068 [0,2,0,0,0,0|1,0,0]=3 1581 B11R1.37 CSc1cc(ccc1C=O)O MB34891 [0,2,0,0,0,0|0,0,1]=3 1582 B11R1.37 CSc1cc(ccc1CN)O MB26243 [0,2,0,0,0,0|1,0,0]=3 1583 B11R1.37 CSc1ccc(cc1C#N)O MB29644 [0,2,0,0,0,0|1,0,0]=3 1584 B11R1.37 CSc1ccc(cc1C=O)O MB28246 [0,2,0,0,0,0|0,0,1]=3 1585 B11R1.37 CSc1ccc(cc1CN)O MB36837 [0,2,0,0,0,0|1,0,0]=3 1586 B11R1.37 CSc1ccc(cc1SC)O MB28889 [0,2,0,0,0,0|0,1,0]=3 1587 B11R1.53 B(c1c(cccn1)OC)(O)O AB31194 [0,2,0,0,0,0|1,1,0]=4 1588 B11R1.53 B(c1ccccc1C#C)(O)O AB59599 [0,2,0,0,0,0|1,0,1]=4 1589 B11R1.53 B(c1ccccc1C#N)(O)O AB09482 [0,2,0,0,0,0|2,0,0]=4 1590 B11R1.53 B(c1ccccc1C=C)(O)O AB08106 [0,2,0,0,0,0|1,0,1]=4 1591 B11R1.53 B(c1ccccc1C=O)(O)O AB03992 [0,2,0,0,0,0|2,0,0]=4 1592 B11R1.53 B(c1ccccc1CBr)(O)O AB08764 [0,2,0,0,0,0|2,0,0]=4 1593 B11R1.53 B(c1ccccc1CC)(O)O AB10774 [0,2,0,0,0,0|1,0,0]=3 1594 B11R1.53 B(c1ccccc1OC)(O)O AB05344 [0,2,0,0,0,0|0,1,0]=3 1595 B11R1.53 B(c1ccccc1SC)(O)O AB08660 [0,2,0,0,0,0|0,0,0]=2 1596 B11R1.53 B(c1cccnc1CC)(O)O AB40894 [0,2,0,0,0,0|2,0,0]=4 1597 B11R1.53 B(c1cccnc1OC)(O)O AB14155 [0,2,0,0,0,0|1,1,0]=4 1598 B11R1.53 B(c1cccnc1OC)(O)O AB40865 [0,2,0,0,0,0|1,1,0]=4 1599 B11R1.53 B(c1ccncc1OC)(O)O AB30105 [0,2,0,0,0,0|1,1,0]=4 1600 B11R1.53 B(c1ccncc1OC)(O)O AB42657 [0,2,0,0,0,0|1,1,0]=4 1601 B11R1.53 B(c1cnccc1OC)(O)O AB08335 [0,2,0,0,0,0|1,1,0]=4 1602 B11R1.53 B(c1cnccc1OC)(O)O AB17840 [0,2,0,0,0,0|1,1,0]=4 1603 B11R1.53 B(c1cnccc1OC)(O)O AB30564 [0,2,0,0,0,0|1,1,0]=4 1604 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,2,0,0,0,0|2,0,0]=4 1605 B11R1.53 CC(=O)c1cnccc1OC AB67883 [0,2,0,0,0,0|2,0,0]=4 1606 B11R1.53 CC(C)c1cccnc1CO AB65913 [0,2,0,0,0,0|2,0,0]=4 1607 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,2,0,0,0,0|2,0,0]=4 1608 B11R1.53 CC(c1cnccc1OC)N AB67900 [0,2,0,0,0,0|2,0,0]=4 1609 B11R1.53 CCc1ccccc1C(=S)N AB26904 [0,2,0,0,0,0|1,1,0]=4 1610 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [0,2,0,0,0,0|1,1,0]=4 1611 B11R1.53 COc1ccccc1C(=N)N AB27551 [0,2,0,0,0,0|1,1,0]=4 1612 B11R1.53 COc1ccccc1C(=S)N AB21279 [0,2,0,0,0,0|0,2,0]=4 1613 B11R1.53 COc1cccnc1C(=O)O MB04405 [0,2,0,0,0,0|1,1,0]=4 1614 B11R1.53 COc1ccncc1C(=O)O AB20474 [0,2,0,0,0,0|1,1,0]=4 1615 B11R1.53 COc1cnccc1C(=O)O AB32050 [0,2,0,0,0,0|1,1,0]=4 1616 B11R1.166 B(c1ccc(cc1O)C)(O)O PB11677 [0,2,0,0,0,0|2,0,0]=4 1617 B11R1.166 B(c1ccc(cc1O)F)(O)O AB20352 [0,2,0,0,0,0|2,0,0]=4 1618 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [0,2,0,0,0,0|2,0,0]=4 1619 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,2,0,0,0,0|2,0,0]=4 1620 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [0,2,0,0,0,0|2,0,0]=4 1621 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,2,0,0,0,0|2,0,0]=4 1622 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,2,0,0,0,0|2,0,0]=4 1623 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,2,0,0,0,0|1,0,0]=3 1624 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [0,2,0,0,0,0|2,0,0]=4 1625 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,2,0,0,0,0|2,0,0]=4 1626 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [0,2,0,0,0,0|2,0,0]=4 1628 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [0,2,0,0,0,0|2,0,0]=4 1629 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [0,2,0,0,0,0|2,0,0]=4 1630 B11R1.166 CC(C)c1ccc(cc1Br)O MB22589 [0,2,0,0,0,0|2,0,0]=4 1631 B11R1.166 CC(C)c1ccc(cc1Cl)O MB22592 [0,2,0,0,0,0|2,0,0]=4 1632 B11R1.166 CC(C)c1ccc(cc1F)O MB22574 [0,2,0,0,0,0|2,0,0]=4 1633 B11R1.166 CC(C)c1ccc(cc1I)O MB22578 [0,2,0,0,0,0|2,0,0]=4 1634 B11R1.166 CC(C)c1ccc(cc1O)Br MB22598 [0,2,0,0,0,0|1,0,0]=3 1635 B11R1.166 CC(C)c1ccc(cc1O)Cl MB22600 [0,2,0,0,0,0|1,0,0]=3 1636 B11R1.166 CC(C)c1ccc(cc1O)F MB22513 [0,2,0,0,0,0|1,0,0]=3 1637 B11R1.166 CC(C)c1ccc(cc1O)I MB22516 [0,2,0,0,0,0|1,0,0]=3 1638 B11R1.166 CC(C)c1ccc(cc1O)N MB22522 [0,2,0,0,0,0|1,0,0]=3 1639 B11R1.166 CN(C)c1ccc(cc1Br)O MB24896 [0,2,0,0,0,0|2,0,0]=4 1640 B11R1.166 CN(C)c1ccc(cc1Cl)O MB24897 [0,2,0,0,0,0|2,0,0]=4 1641 B11R1.166 CN(C)c1ccc(cc1F)O MB24879 [0,2,0,0,0,0|2,0,0]=4 1642 B11R1.166 CN(C)c1ccc(cc1I)O MB24881 [0,2,0,0,0,0|2,0,0]=4 1643 B11R1.166 CN(C)c1ccc(cc1N)O MB24885 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.166 CN(C)c1ccc(cc1O)Br MB24904 [0,2,0,0,0,0|1,0,0]=3 1645 B11R1.166 CN(C)c1ccc(cc1O)Cl MB24909 [0,2,0,0,0,0|1,0,0]=3 1646 B11R1.166 CN(C)c1ccc(cc1O)F MB24817 [0,2,0,0,0,0|1,0,0]=3 1647 B11R1.166 CN(C)c1ccc(cc1O)I MB24820 [0,2,0,0,0,0|1,0,0]=3 1648 B11R1.166 CN(C)c1ccc(cc1O)N MB24828 [0,2,0,0,0,0|1,0,0]=3 1649 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [0,2,0,0,0,0|2,0,0]=4 1650 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,2,0,0,0,0|2,0,0]=4 1651 B11R1.166 Cc1cc(ccc1N(C)C)Br AB31930 [0,2,0,0,0,0|2,0,0]=4 1652 B11R1.166 Cc1cc(ccc1N(C)C)O MB08301 [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,2,0,0,0,0|2,0,0]=4 1654 B11R1.166 Cc1ccc(c(c1)O)C(C)C MB00129 [0,2,0,0,0,0|1,0,0]=3 1655 B11R1.166 Cc1ccc(c(c1)O)N(C)C MB23428 [0,2,0,0,0,0|1,0,0]=3 1656 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] MB02640 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,2,0,0,0,0|2,0,0]=4 1660 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,2,0,0,0,0|2,0,0]=4 1661 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] AB00840 [0,2,0,0,0,0|2,0,0]=4 1662 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,2,0,0,0,0|2,0,0]=4 1663 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,2,0,0,0,0|2,0,0]=4 1664 B11R1.277 COc1cc(c(cc1O)Br)Cl MB19828 [0,2,0,0,0,0|0,1,0]=3 1665 B11R1.279 CCc1ccc(c(c1)O)C#N AB50292 [0,2,0,0,0,0|2,0,0]=4 1666 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [0,2,0,0,0,0|2,0,0]=4 1667 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [0,2,0,0,0,0|1,0,0]=3 1668 B11R1.279 CCc1ccc(c(c1)O)CN MB23834 [0,2,0,0,0,0|2,0,0]=4 1669 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [0,2,0,0,0,0|1,0,0]=3 1670 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [0,2,0,0,0,0|0,1,0]=3 1671 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [0,2,0,0,0,0|0,0,0]=2 1672 B11R1.279 CCc1ccc(cc1O)C#N MB23779 [0,2,0,0,0,0|1,0,0]=3 1673 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [0,2,0,0,0,0|1,0,0]=3 1674 B11R1.279 CCc1ccc(cc1O)CN MB23838 [0,2,0,0,0,0|1,0,0]=3 1675 B11R1.279 CCc1ccc(cc1O)NC MB23855 [0,2,0,0,0,0|1,0,0]=3 1676 B11R1.279 CCc1ccc(cc1O)OC MB04144 [0,2,0,0,0,0|1,0,0]=3 1677 B11R1.279 CCc1ccc(cc1O)SC MB23989 [0,2,0,0,0,0|1,0,0]=3 1678 B11R1.279 CNc1ccc(c(c1)O)C=O MB38816 [0,2,0,0,0,0|2,0,0]=4 1679 B11R1.279 CNc1ccc(c(c1)O)NC MB27488 [0,2,0,0,0,0|1,0,0]=3 1680 B11R1.279 CNc1ccc(c(c1)O)SC MB31040 [0,2,0,0,0,0|0,0,0]=2 1681 B11R1.279 CNc1ccc(cc1O)C#N MB32288 [0,2,0,0,0,0|1,0,0]=3 1682 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [0,2,0,0,0,0|1,0,0]=3 1683 B11R1.279 CNc1ccc(cc1O)CN MB30036 [0,2,0,0,0,0|1,0,0]=3 1684 B11R1.279 CNc1ccc(cc1O)OC MB36336 [0,2,0,0,0,0|1,0,0]=3 1685 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [0,2,0,0,0,0|2,0,0]=4 1686 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [0,2,0,0,0,0|2,0,0]=4 1687 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [0,2,0,0,0,0|0,1,0]=3 1688 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [0,2,0,0,0,0|0,0,0]=2 1689 B11R1.279 COc1ccc(cc1Br)C#N AB03835 [0,2,0,0,0,0|1,1,0]=4 1690 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [0,2,0,0,0,0|1,1,0]=4 1691 B11R1.279 COc1ccc(cc1F)C#N AB04880 [0,2,0,0,0,0|1,1,0]=4 1692 B11R1.279 COc1ccc(cc1O)C#N MB02393 [0,2,0,0,0,0|0,1,0]=3 1693 B11R1.279 COc1ccc(cc1O)SC MB37214 [0,2,0,0,0,0|0,1,0]=3 1694 B11R1.279 CSc1ccc(c(c1)O)C=O MB32919 [0,2,0,0,0,0|2,0,0]=4 1695 B11R1.279 CSc1ccc(cc1O)C#N MB28697 [0,2,0,0,0,0|0,0,0]=2 1696 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [0,2,0,0,0,0|0,0,0]=2 1697 B11R1.279 CSc1ccc(cc1O)CN MB29248 [0,2,0,0,0,0|0,0,0]=2 1698 B11R1.279 c1cc(c(cc1C#N)O)C#N MB29629 [0,2,0,0,0,0|2,0,0]=4 1699 B11R1.279 c1cc(c(cc1C#N)O)C=O MB06108 [0,2,0,0,0,0|2,0,0]=4 1700 B11R1.279 c1cc(c(cc1C#N)O)CN MB25482 [0,2,0,0,0,0|2,0,0]=4 1701 B11R1.279 c1cc(c(cc1C=O)O)C#N MB25582 [0,2,0,0,0,0|2,0,0]=4 1702 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [0,2,0,0,0,0|2,0,0]=4 1703 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [0,2,0,0,0,0|2,0,0]=4 1704 B11R1.279 c1cc(c(cc1CN)O)CN MB29403 [0,2,0,0,0,0|2,0,0]=4 1705 B11R1.167 B(c1cc(ccc1O)Br)(O)O AB03340 [0,2,0,0,0,0|2,0,0]=4 1706 B11R1.167 B(c1cc(ccc1O)Cl)(O)O AB26500 [0,2,0,0,0,0|2,0,0]=4 1707 B11R1.167 CC(=O)c1c(ccc(n1)Br)O AB84298 [0,2,0,0,0,0|2,0,0]=4 1708 B11R1.167 CC(=O)c1c(ccc(n1)Cl)O AB74862 [0,2,0,0,0,0|2,0,0]=4 1709 B11R1.167 CC(=O)c1c(ccc(n1)N)O AB76567 [0,2,0,0,0,0|2,0,0]=4 1710 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,2,0,0,0,0|2,0,0]=4 1711 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,2,0,0,0,0|2,0,0]=4 1712 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,2,0,0,0,0|2,0,0]=4 1713 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,2,0,0,0,0|1,0,0]=3 1714 B11R1.167 CC(=O)c1cc(cnc1O)Br AB70678 [0,2,0,0,0,0|2,0,0]=4 1715 B11R1.167 CC(=O)c1cc(cnc1O)Cl AB72636 [0,2,0,0,0,0|2,0,0]=4 1716 B11R1.167 CC(=O)c1cc(cnc1O)N AB84258 [0,2,0,0,0,0|2,0,0]=4 1717 B11R1.167 CC(=O)c1cc(ncc1O)Br AB69693 [0,2,0,0,0,0|2,0,0]=4 1718 B11R1.167 CC(=O)c1cc(ncc1O)Cl AB69292 [0,2,0,0,0,0|2,0,0]=4 1719 B11R1.167 CC(=O)c1cc(ncc1O)N AB84159 [0,2,0,0,0,0|2,0,0]=4 1720 B11R1.167 CC(C)c1cc(ccc1Br)O MB14742 [0,2,0,0,0,0|2,0,0]=4 1721 B11R1.167 CC(C)c1cc(ccc1Cl)O MB22457 [0,2,0,0,0,0|2,0,0]=4 1722 B11R1.167 CC(C)c1cc(ccc1F)O MB22446 [0,2,0,0,0,0|2,0,0]=4 1723 B11R1.167 CC(C)c1cc(ccc1I)O MB09273 [0,2,0,0,0,0|2,0,0]=4 1724 B11R1.167 CC(C)c1cc(ccc1N)O MB22448 [0,2,0,0,0,0|2,0,0]=4 1725 B11R1.167 CC(C)c1cc(ccc1O)Br MB00402 [0,2,0,0,0,0|1,0,0]=3 1726 B11R1.167 CC(C)c1cc(ccc1O)Cl MB22459 [0,2,0,0,0,0|1,0,0]=3 1727 B11R1.167 CC(C)c1cc(ccc1O)F MB22379 [0,2,0,0,0,0|1,0,0]=3 1728 B11R1.167 CC(C)c1cc(ccc1O)I MB22381 [0,2,0,0,0,0|1,0,0]=3 1729 B11R1.167 CC(C)c1cc(ccc1O)N MB22385 [0,2,0,0,0,0|1,0,0]=3 1730 B11R1.167 CN(C)c1cc(ccc1Br)O MB24761 [0,2,0,0,0,0|2,0,0]=4 1731 B11R1.167 CN(C)c1cc(ccc1Cl)O MB24764 [0,2,0,0,0,0|2,0,0]=4 1732 B11R1.167 CN(C)c1cc(ccc1F)O MB24743 [0,2,0,0,0,0|2,0,0]=4 1733 B11R1.167 CN(C)c1cc(ccc1I)O MB24745 [0,2,0,0,0,0|2,0,0]=4 1734 B11R1.167 CN(C)c1cc(ccc1N)O MB24748 [0,2,0,0,0,0|2,0,0]=4 1735 B11R1.167 CN(C)c1cc(ccc1O)Br MB24765 [0,2,0,0,0,0|1,0,0]=3 1736 B11R1.167 CN(C)c1cc(ccc1O)Cl MB24769 [0,2,0,0,0,0|1,0,0]=3 1737 B11R1.167 CN(C)c1cc(ccc1O)F MB24705 [0,2,0,0,0,0|1,0,0]=3 1738 B11R1.167 CN(C)c1cc(ccc1O)I MB24708 [0,2,0,0,0,0|1,0,0]=3 1739 B11R1.167 CN(C)c1cc(ccc1O)N MB24713 [0,2,0,0,0,0|1,0,0]=3 1740 B11R1.167 Cc1cc(c(cn1)O)C(=O)C AB75257 [0,2,0,0,0,0|2,0,0]=4 1741 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,2,0,0,0,0|2,0,0]=4 1742 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,2,0,0,0,0|2,0,0]=4 1743 B11R1.167 Cc1ccc(c(c1)C(C)C)O MB00760 [0,2,0,0,0,0|1,0,0]=3 1744 B11R1.167 Cc1ccc(c(c1)N(C)C)O MB23437 [0,2,0,0,0,0|1,0,0]=3 1745 B11R1.167 Cc1ccc(c(n1)C(=O)C)O AB75241 [0,2,0,0,0,0|2,0,0]=4 1746 B11R1.167 Cc1ccc(cc1C(C)C)O MB22427 [0,2,0,0,0,0|2,0,0]=4 1747 B11R1.167 Cc1ccc(cc1N(C)C)O MB06100 [0,2,0,0,0,0|2,0,0]=4 1748 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [0,2,0,0,0,0|2,0,0]=4 1749 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [0,2,0,0,0,0|2,0,0]=4 1750 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [0,2,0,0,0,0|2,0,0]=4 1751 B11R1.280 CCc1cc(ccc1O)C#N MB23616 [0,2,0,0,0,0|1,0,0]=3 1752 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [0,2,0,0,0,0|1,0,0]=3 1753 B11R1.280 CCc1cc(ccc1O)CN MB23654 [0,2,0,0,0,0|1,0,0]=3 1754 B11R1.280 CCc1cc(ccc1O)NC MB23664 [0,2,0,0,0,0|1,0,0]=3 1755 B11R1.280 CCc1cc(ccc1O)OC MB23776 [0,2,0,0,0,0|1,0,0]=3 1756 B11R1.280 CCc1cc(ccc1O)SC MB23777 [0,2,0,0,0,0|1,0,0]=3 1757 B11R1.280 CCc1ccc(c(c1)C#N)O MB23858 [0,2,0,0,0,0|2,0,0]=4 1758 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [0,2,0,0,0,0|1,0,0]=3 1759 B11R1.280 CCc1ccc(c(c1)CN)O MB23892 [0,2,0,0,0,0|2,0,0]=4 1760 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [0,2,0,0,0,0|1,0,0]=3 1761 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [0,2,0,0,0,0|0,0,0]=2 1762 B11R1.280 CNc1cc(ccc1F)CBr AB66016 [0,2,0,0,0,0|2,0,0]=4 1763 B11R1.280 CNc1cc(ccc1O)C#N MB26626 [0,2,0,0,0,0|1,0,0]=3 1764 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [0,2,0,0,0,0|1,0,0]=3 1765 B11R1.280 CNc1cc(ccc1O)CN MB28730 [0,2,0,0,0,0|1,0,0]=3 1766 B11R1.280 CNc1cc(ccc1O)OC MB34517 [0,2,0,0,0,0|1,0,0]=3 1767 B11R1.280 CNc1cc(ccc1O)SC MB35888 [0,2,0,0,0,0|1,0,0]=3 1768 B11R1.280 CNc1ccc(c(c1)C#N)O MB38357 [0,2,0,0,0,0|2,0,0]=4 1769 B11R1.280 CNc1ccc(c(c1)C=O)O MB33629 [0,2,0,0,0,0|2,0,0]=4 1770 B11R1.280 CNc1ccc(c(c1)CN)O MB25856 [0,2,0,0,0,0|2,0,0]=4 1771 B11R1.280 CNc1ccc(c(c1)NC)O MB31107 [0,2,0,0,0,0|1,0,0]=3 1772 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [0,2,0,0,0,0|0,1,0]=3 1773 B11R1.280 CNc1ccc(c(c1)SC)O MB32002 [0,2,0,0,0,0|0,0,0]=2 1774 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [0,2,0,0,0,0|1,1,0]=4 1775 B11R1.280 COc1cc(ccc1N)C=O AB54813 [0,2,0,0,0,0|1,1,0]=4 1776 B11R1.280 COc1cc(ccc1N)CO AB44207 [0,2,0,0,0,0|1,1,0]=4 1777 B11R1.280 COc1cc(ccc1O)SC MB01847 [0,2,0,0,0,0|0,1,0]=3 1778 B11R1.280 COc1ccc(c(c1)C#N)O MB02405 [0,2,0,0,0,0|2,0,0]=4 1779 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [0,2,0,0,0,0|2,0,0]=4 1780 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [0,2,0,0,0,0|0,1,0]=3 1781 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [0,2,0,0,0,0|0,0,0]=2 1782 B11R1.280 CSc1cc(ccc1O)C#N MB25650 [0,2,0,0,0,0|0,0,0]=2 1783 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [0,2,0,0,0,0|0,0,0]=2 1784 B11R1.280 CSc1ccc(c(c1)C=O)O MB02696 [0,2,0,0,0,0|2,0,0]=4 1785 B11R1.280 CSc1ccc(c(c1)CN)O MB28138 [0,2,0,0,0,0|2,0,0]=4 1786 B11R1.280 CSc1ccc(c(c1)SC)O MB30090 [0,2,0,0,0,0|0,0,0]=2 1787 B11R1.280 c1cc(c(cc1C#N)C#N)O MB10376 [0,2,0,0,0,0|2,0,0]=4 1788 B11R1.280 c1cc(c(cc1C#N)C=O)O MB07859 [0,2,0,0,0,0|2,0,0]=4 1789 B11R1.280 c1cc(c(cc1C#N)CN)O MB30149 [0,2,0,0,0,0|2,0,0]=4 1790 B11R1.280 c1cc(c(cc1C=O)C#N)O MB25655 [0,2,0,0,0,0|2,0,0]=4 1791 B11R1.280 c1cc(c(cc1C=O)CN)O MB27171 [0,2,0,0,0,0|2,0,0]=4 1792 B11R1.280 c1cc(c(cc1CN)C#N)O MB33026 [0,2,0,0,0,0|2,0,0]=4 1793 B11R1.280 c1cc(c(cc1CN)C=O)O MB30824 [0,2,0,0,0,0|2,0,0]=4 1794 B11R1.280 c1cc(c(cc1CN)CN)O MB31492 [0,2,0,0,0,0|2,0,0]=4 1795 B11R1.87 CC(C)(C)c1c(cccn1)O MB01150 [0,2,0,0,0,0|2,0,0]=4 1796 B11R1.87 CC(C)(C)c1ccccc1N MB00719 [0,2,0,0,0,0|2,0,0]=4 1797 B11R1.87 CC(C)(C)c1ccncc1O MB21867 [0,2,0,0,0,0|2,0,0]=4 1798 B11R1.87 CC(C)(C)c1cnccc1O MB21874 [0,2,0,0,0,0|2,0,0]=4 1799 B11R1.87 CC(C)(c1ccccc1Br)N AB63424 [0,2,0,0,0,0|2,0,0]=4 1800 B11R1.87 CC(C)(c1ccccc1Cl)N AB64318 [0,2,0,0,0,0|2,0,0]=4 1801 B11R1.87 C[Si](C)(C)c1ccccc1O AB54787 [0,2,0,0,0,0|1,0,0]=3 1802 B11R1.87 [B-](c1ccccc1O)(F)(F)F AB42650 [0,2,0,0,0,0|2,0,0]=4 1803 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)N MB25652 [0,2,0,0,0,0|1,0,1]=4 1804 B11R1.156 CC(=O)c1c(ccnc1Br)O AB84219 [0,2,0,0,0,0|2,0,0]=4 1805 B11R1.156 CC(=O)c1c(ccnc1Cl)O AB84222 [0,2,0,0,0,0|2,0,0]=4 1806 B11R1.156 CC(=O)c1c(ccnc1N)O AB84223 [0,2,0,0,0,0|2,0,0]=4 1807 B11R1.156 CC(=O)c1c(ccnc1O)Br AB84232 [0,2,0,0,0,0|2,0,0]=4 1808 B11R1.156 CC(=O)c1c(ccnc1O)Cl AB84233 [0,2,0,0,0,0|2,0,0]=4 1809 B11R1.156 CC(=O)c1c(ccnc1O)N AB84237 [0,2,0,0,0,0|2,0,0]=4 1810 B11R1.156 CC(=O)c1c(cncc1Br)O AB84134 [0,2,0,0,0,0|2,0,0]=4 1811 B11R1.156 CC(=O)c1c(cncc1Cl)O AB84135 [0,2,0,0,0,0|2,0,0]=4 1812 B11R1.156 CC(=O)c1c(cncc1O)N AB84138 [0,2,0,0,0,0|2,0,0]=4 1813 B11R1.156 CC(C)c1c(cccc1Br)O MB22335 [0,2,0,0,0,0|1,0,0]=3 1814 B11R1.156 CC(C)c1c(cccc1Cl)O MB22338 [0,2,0,0,0,0|1,0,0]=3 1815 B11R1.156 CC(C)c1c(cccc1F)O MB22319 [0,2,0,0,0,0|1,0,0]=3 1816 B11R1.156 CC(C)c1c(cccc1I)O MB22320 [0,2,0,0,0,0|1,0,0]=3 1817 B11R1.156 CC(C)c1c(cccc1O)N MB22301 [0,2,0,0,0,0|1,0,0]=3 1818 B11R1.156 CN(C)c1c(cccc1Br)O MB24668 [0,2,0,0,0,0|1,0,0]=3 1819 B11R1.156 CN(C)c1c(cccc1Cl)O MB24669 [0,2,0,0,0,0|1,0,0]=3 1820 B11R1.156 CN(C)c1c(cccc1F)O MB24657 [0,2,0,0,0,0|1,0,0]=3 1821 B11R1.156 CN(C)c1c(cccc1I)O MB24659 [0,2,0,0,0,0|1,0,0]=3 1822 B11R1.156 CN(C)c1c(cccc1O)N MB24642 [0,2,0,0,0,0|1,0,0]=3 1823 B11R1.156 Cc1c(c(ccn1)O)C(=O)C AB84225 [0,2,0,0,0,0|2,0,0]=4 1824 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [0,2,0,0,0,0|2,0,0]=4 1825 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,2,0,0,0,0|2,0,0]=4 1826 B11R1.156 Cc1cccc(c1C(C)C)O MB22300 [0,2,0,0,0,0|1,0,0]=3 1827 B11R1.156 Cc1cccc(c1N(C)C)O MB00361 [0,2,0,0,0,0|1,0,0]=3 1828 B11R1.156 Cc1ccnc(c1C(=O)C)O AB84238 [0,2,0,0,0,0|2,0,0]=4 1829 B11R1.156 Cc1cncc(c1C(=O)C)O AB84140 [0,2,0,0,0,0|2,0,0]=4 1830 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)O MB13463 [0,2,0,0,0,0|2,0,0]=4 1831 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)O MB31636 [0,2,0,0,0,0|2,0,0]=4 1832 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O MB08537 [0,2,0,0,0,0|2,0,0]=4 1833 B11R1.156 c1cc(c(c(c1)F)C(=O)N)O MB25665 [0,2,0,0,0,0|2,0,0]=4 1834 B11R1.156 c1cc(c(c(c1)I)C(=O)N)O MB38290 [0,2,0,0,0,0|2,0,0]=4 1835 B11R1.156 c1cc(c(c(c1)O)C(=O)N)N MB25426 [0,2,0,0,0,0|2,0,0]=4 1836 B11R1.156 c1cc(c(c(c1)O)C(=O)O)N MB25644 [0,2,0,0,0,0|2,0,0]=4 1837 B11R2.106 Cc1cccc2c1CCN2 MB06155 [0,1,0,1,0,0|2,0,0]=4 1838 B11R2.106 Cc1cccc2c1CNC2 MB06843 [0,1,0,1,0,0|2,0,0]=4 1839 B11R2.106 Cc1cccc2c1NCC2 MB04566 [0,1,0,1,0,0|2,0,0]=4 1840 B11R2.106 Cc1cccc2c1occ2 MB00742 [0,1,0,1,0,0|1,0,1]=4 1841 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [0,1,0,1,0,0|2,0,0]=4 1842 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [0,1,0,1,0,0|1,0,0]=3 1843 B11R2.106 c1cc(c2ccoc2c1)N MB06879 [0,1,0,1,0,0|1,0,1]=4 1844 B11R2.106 c1cc(c2ccoc2c1)O MB07641 [0,1,0,1,0,0|1,0,1]=4 1845 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [0,1,0,1,0,0|2,0,0]=4 1846 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [0,1,0,1,0,0|2,0,0]=4 1847 B11R2.106 c1cc2c(c(c1)Br)ocn2 MB05566 [0,1,0,1,0,0|1,0,1]=4 1848 B11R2.106 c1cc2c(c(c1)Br)scn2 PB17880 [0,1,0,1,0,0|1,0,1]=4 1849 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [0,1,0,1,0,0|2,0,0]=4 1850 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [0,1,0,1,0,0|2,0,0]=4 1851 B11R2.106 c1cc2c(c(c1)Cl)ncs2 MB09046 [0,1,0,1,0,0|1,0,1]=4 1852 B11R2.106 c1cc2c(c(c1)Cl)ocn2 MB20023 [0,1,0,1,0,0|1,0,1]=4 1853 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [0,1,0,1,0,0|2,0,0]=4 1854 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [0,1,0,1,0,0|2,0,0]=4 1855 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [0,1,0,1,0,0|2,0,0]=4 1856 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [0,1,0,1,0,0|2,0,0]=4 1857 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [0,1,0,1,0,0|2,0,0]=4 1858 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [0,1,0,1,0,0|1,0,0]=3 1859 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [0,1,0,1,0,0|1,0,0]=3 1860 B11R2.106 c1cc2c(cco2)c(c1)Br PB17600 [0,1,0,1,0,0|1,0,1]=4 1861 B11R2.106 c1cc2c(cco2)c(c1)F MB08828 [0,1,0,1,0,0|1,0,1]=4 1862 B11R2.106 c1cc2c(ccs2)c(c1)Br PB20282 [0,1,0,1,0,0|1,0,1]=4 1863 B11R2.106 c1cc2ccoc2c(c1)Br MB06925 [0,1,0,1,0,0|1,0,1]=4 1864 B11R2.106 c1cc2ccoc2c(c1)N MB10414 [0,1,0,1,0,0|1,0,1]=4 1865 B11R2.106 c1cc2ccsc2c(c1)Br AB25661 [0,1,0,1,0,0|1,0,1]=4 1866 B11R2.106 c1cnc(c2c1CCO2)N AB52904 [0,1,0,1,0,0|2,0,0]=4 1867 B11R2.106 c1cnc2=NCC=c2c1O PB23574 [0,1,0,1,0,0|2,0,0]=4 1868 B11R2.106 c1cnc2c(c1Br)OCO2 AB73694 [0,1,0,1,0,0|1,1,0]=4 1869 B11R2.106 c1cnc2c(c1N)OCO2 AB73704 [0,1,0,1,0,0|1,1,0]=4 1870 B11R2.106 c1cnc2ccsc2c1O PB32284 [0,1,0,1,0,0|1,0,1]=4 1871 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,1,0,1,0,0|2,0,0]=4 1872 B11R2.10 Cn1cc2ccccc2n1 PB15684 [0,1,0,1,0,0|2,0,0]=4 1873 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,1,0,1,0,0|2,0,0]=4 1874 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,1,0,1,0,0|2,0,0]=4 1875 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [0,1,0,1,0,0|1,0,1]=4 1876 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [0,1,0,1,0,0|1,0,1]=4 1877 B11R2.10 c1ccc2c(c1)nc(s2)Cl AB00527 [0,1,0,1,0,0|1,0,1]=4 1878 B11R2.20 c1cc2c(nc1)NCCO2 AB49130 [0,1,0,1,0,0|2,0,0]=4 1879 B11R2.20 c1cc2c(nc1)OCCN2 PB18914 [0,1,0,1,0,0|2,0,0]=4 1880 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,1,0,1,0,0|2,0,0]=4 1881 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,1,0,1,0,0|1,0,0]=3 1882 B11R2.20 c1cncc2c1NCCO2 AB66612 [0,1,0,1,0,0|2,0,0]=4 1883 B11R2.20 c1cncc2c1OCCN2 AB43406 [0,1,0,1,0,0|2,0,0]=4 1884 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [0,1,0,1,0,0|1,1,0]=4 1885 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,1,0,1,0,0|2,0,0]=4 1886 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,1,0,1,0,0|2,0,0]=4 1887 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,1,0,1,0,0|2,0,0]=4 1888 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,1,0,1,0,0|2,0,0]=4 1889 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [0,1,0,1,0,0|2,0,0]=4 1890 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,1,0,1,0,0|1,0,0]=3 1891 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,1,0,1,0,0|1,0,0]=3 1892 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,1,0,1,0,0|2,0,0]=4 1893 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,1,0,1,0,0|2,0,0]=4 1894 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,1,0,1,0,0|2,0,0]=4 1895 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,1,0,1,0,0|2,0,0]=4 1896 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,1,0,1,0,0|1,0,1]=4 1897 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,1,0,1,0,0|2,0,0]=4 1898 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [0,1,0,1,0,0|2,0,0]=4 1899 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,1,0,1,0,0|1,0,1]=4 1900 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [0,1,0,1,0,0|1,0,1]=4 1901 B11R2.36 c1c(cnc2c1OCO2)Br AB66660 [0,1,0,1,0,0|1,1,0]=4 1902 B11R2.36 c1c(cnc2c1OCO2)Cl AB73686 [0,1,0,1,0,0|1,1,0]=4 1903 B11R2.36 c1c(cnc2c1OCO2)F AB73689 [0,1,0,1,0,0|1,1,0]=4 1904 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [0,1,0,1,0,0|1,0,1]=4 1905 B11R2.36 c1cc(cc2c1cco2)N MB09331 [0,1,0,1,0,0|1,0,1]=4 1906 B11R2.36 c1cc(cc2c1cco2)O MB06436 [0,1,0,1,0,0|1,0,1]=4 1907 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [0,1,0,1,0,0|1,0,1]=4 1908 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [0,1,0,1,0,0|2,0,0]=4 1909 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [0,1,0,1,0,0|2,0,0]=4 1910 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [0,1,0,1,0,0|1,0,0]=3 1911 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [0,1,0,1,0,0|2,0,0]=4 1912 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [0,1,0,1,0,0|1,0,1]=4 1913 B11R2.36 c1cc2c(cc1Br)ncs2 AB12828 [0,1,0,1,0,0|1,0,1]=4 1914 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [0,1,0,1,0,0|1,0,1]=4 1915 B11R2.36 c1cc2c(cc1Br)scn2 AB19945 [0,1,0,1,0,0|1,0,1]=4 1916 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [0,1,0,1,0,0|2,0,0]=4 1917 B11R2.36 c1cc2c(cc1Cl)ncs2 AB04988 [0,1,0,1,0,0|1,0,1]=4 1918 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [0,1,0,1,0,0|1,0,1]=4 1919 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [0,1,0,1,0,0|1,0,1]=4 1920 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [0,1,0,1,0,0|1,0,0]=3 1921 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [0,1,0,1,0,0|2,0,0]=4 1922 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [0,1,0,1,0,0|1,0,1]=4 1923 B11R2.36 c1cc2c(cc1F)ncs2 AB26031 [0,1,0,1,0,0|1,0,1]=4 1924 B11R2.36 c1cc2c(cc1F)scn2 AB26019 [0,1,0,1,0,0|1,0,1]=4 1925 B11R2.36 c1cc2c(cc1I)ncs2 AB26029 [0,1,0,1,0,0|1,0,1]=4 1926 B11R2.36 c1cc2c(cc1I)scn2 AB26022 [0,1,0,1,0,0|1,0,1]=4 1927 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [0,1,0,1,0,0|2,0,0]=4 1928 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [0,1,0,1,0,0|1,0,0]=3 1929 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [0,1,0,1,0,0|2,0,0]=4 1930 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [0,1,0,1,0,0|2,0,0]=4 1931 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [0,1,0,1,0,0|1,0,1]=4 1932 B11R2.36 c1cc2c(cc1N)ncs2 AB19860 [0,1,0,1,0,0|1,0,1]=4 1933 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,1,0,1,0,0|2,0,0]=4 1934 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [0,1,0,1,0,0|1,0,1]=4 1935 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,1,0,1,0,0|1,0,1]=4 1936 B11R2.36 c1cc2c(cco2)cc1F AB43937 [0,1,0,1,0,0|1,0,1]=4 1937 B11R2.36 c1cc2c(cco2)cc1N AB20798 [0,1,0,1,0,0|1,0,1]=4 1938 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,1,0,1,0,0|1,0,1]=4 1939 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [0,1,0,1,0,0|1,0,1]=4 1940 B11R2.36 c1cc2cnoc2cc1Br AB25994 [0,1,0,1,0,0|2,0,0]=4 1941 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [0,1,0,1,0,0|2,0,0]=4 1942 B11R2.36 c1cc2cnoc2cc1N AB26008 [0,1,0,1,0,0|2,0,0]=4 1943 B11R2.36 c1cc2cnsc2cc1Br MB19419 [0,1,0,1,0,0|2,0,0]=4 1944 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [0,1,0,1,0,0|2,0,0]=4 1945 B7R1.4 Cc1c(cco1)N AB71442 [1,0,0,0,1,0|2,0,0]=4 1946 B7R1.4 Cc1ccsc1Br PB25943 [1,0,0,0,1,0|2,0,0]=4