0 B11R1.166 B(c1ccc(cc1C)C)(O)O AB12317 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.166 B(c1ccc(cc1Cl)C)(O)O AB14287 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.166 B(c1ccc(cc1F)C)(O)O PB26163 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.166 B(c1ccc(cc1O)C)(O)O PB11677 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.166 B(c1ccc(cc1O)F)(O)O AB20352 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.166 CC(C)c1ccc(cc1Br)O MB22589 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.166 CC(C)c1ccc(cc1Cl)O MB22592 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.166 CC(C)c1ccc(cc1F)O MB22574 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.166 CC(C)c1ccc(cc1I)O MB22578 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.166 CC(C)c1ccc(cc1O)Br MB22598 [0,0,0,0,0,0|1,0,0]=1 22 B11R1.166 CC(C)c1ccc(cc1O)Cl MB22600 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.166 CC(C)c1ccc(cc1O)F MB22513 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.166 CC(C)c1ccc(cc1O)I MB22516 [0,0,0,0,0,0|1,0,0]=1 25 B11R1.166 CC(C)c1ccc(cc1O)N MB22522 [0,0,0,0,0,0|1,0,0]=1 26 B11R1.166 CN(C)c1ccc(cc1Br)O MB24896 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.166 CN(C)c1ccc(cc1Cl)O MB24897 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.166 CN(C)c1ccc(cc1F)O MB24879 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.166 CN(C)c1ccc(cc1I)O MB24881 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.166 CN(C)c1ccc(cc1N)O MB24885 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.166 CN(C)c1ccc(cc1O)Br MB24904 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.166 CN(C)c1ccc(cc1O)Cl MB24909 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.166 CN(C)c1ccc(cc1O)F MB24817 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.166 CN(C)c1ccc(cc1O)I MB24820 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.166 CN(C)c1ccc(cc1O)N MB24828 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [0,0,0,0,0,0|2,0,1]=3 40 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,0,0,0,0,0|2,0,1]=3 46 B11R1.166 Cc1cc(ccc1N(C)C)Br AB31930 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.166 Cc1cc(ccc1N(C)C)O MB08301 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.166 Cc1ccc(c(c1)Cl)C(=N)N AB18279 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,0,0,0,0,0|2,0,1]=3 52 B11R1.166 Cc1ccc(c(c1)O)C(C)C MB00129 [0,0,0,0,0,0|0,0,0]=0 53 B11R1.166 Cc1ccc(c(c1)O)N(C)C MB23428 [0,0,0,0,0,0|1,0,0]=1 54 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,0,0,0,0,0|2,0,1]=3 57 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] AB12817 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] MB02640 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] AB00840 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 CC(C)c1ccc(nn1)Cl MB11649 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.13 CC(C)c1cnc(cn1)Br AB64004 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.13 CC(C)c1cnc(cn1)Cl AB70173 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.13 CC(C)c1ncc(cn1)Br PB22629 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.13 CC(C)c1ncc(cn1)Cl AB59147 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.13 CC(C)c1ncc(cn1)N AB58991 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.13 CC(C)c1ncc(cn1)O AB58598 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.13 CN(C)c1ccc(cn1)Br AB03372 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.13 CN(C)c1ccc(cn1)Cl AB67483 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.13 CN(C)c1ccc(cn1)N PB31328 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 CN(C)c1ccc(cn1)O MB24899 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.13 CN(C)c1ccc(nc1)Br MB00661 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 Cc1ccc(cn1)C(F)F AB76728 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 Cc1cnc(nc1)C(C)N AB59472 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,0,0,0,0,0|2,0,0]=3 100 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,0,0,0,0,0|1,0,0]=2 107 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,0,0,0,0,0|1,0,0]=2 108 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,0,0,0,0,0|1,0,0]=2 109 B10R1.25 CCc1ccc(nc1N)C AB03677 [1,0,0,0,0,0|2,0,0]=3 110 B10R1.25 CCn1ccc(cc1=O)Br PB38061 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.25 CCn1ccc(cc1=O)N PB23013 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.25 CNc1ccc(cc1F)O MB31256 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.25 CNc1ccc(cc1I)O MB37121 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.25 CNc1ccc(cc1N)O MB30558 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.25 COc1ccc(cc1F)Br AB01075 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.25 COc1ccc(cc1I)O MB26647 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.25 COc1ccc(cc1N)O MB34521 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.25 COc1ccc(cc1O)I MB38179 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.25 COc1cnc(cc1O)Cl AB69306 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.25 CSc1ccc(cc1Br)O MB25524 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.25 CSc1ccc(cc1F)O MB25544 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.25 CSc1ccc(cc1N)O MB34593 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.25 Cc1cc(c(cn1)CCl)Cl AB83327 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.25 Cc1cc(c(cn1)CCl)F AB83045 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.25 Cc1cc(c(cn1)CN)Br AB68171 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.25 Cc1cc(c(cn1)CN)Cl AB68154 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.25 Cc1cc(c(cn1)CN)F AB83048 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.25 Cc1cc(c(nc1)CCl)Cl AB75094 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.25 Cc1cc(c(nc1)CCl)F AB76356 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.25 Cc1cc(ccc1NC)O MB05083 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.25 Cc1cc(ncc1CCl)C AB75393 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.25 Cc1cc(ncc1CN)C AB62611 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [1,0,0,0,0,0|1,0,1]=3 157 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,0,0,0,0,0|1,0,0]=2 158 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,0,0,0,0,0|1,0,0]=2 159 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,0,0,0,0,0|1,0,0]=2 160 B10R1.25 Cc1ccc(c(n1)Br)CN AB68158 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.25 Cc1ccc(c(n1)Cl)CN AB23323 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.25 Cc1ccc(c(n1)N)CCl AB76121 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [1,0,0,0,0,0|2,0,1]=4 165 B10R1.25 Cc1ncc(c(n1)O)CO AB48547 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.25 c1cc(c(cc1Br)N)CO AB42495 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.25 c1cc(c(cc1F)Br)CO AB06857 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.25 c1cc(c(cc1F)N)CN AB50268 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.25 c1cc(c(cc1N)F)CBr AB56061 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.25 c1cc(c(cc1N)F)CN AB50282 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [1,0,0,0,0,0|2,0,1]=4 183 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.25 c1cc(c(cc1O)Cl)CN MB02722 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.25 c1cc(c(cc1O)F)CN MB02723 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.25 c1cc(c(cc1O)N)CN MB29325 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.61 B(c1ccccc1O)(O)O AB08053 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,0,0,0,0,0|1,0,0]=2 190 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.61 CC(C)c1ccncc1O MB22678 [1,0,0,0,0,0|1,0,0]=2 192 B10R1.61 CC(C)c1cnccc1O MB22684 [1,0,0,0,0,0|1,0,0]=2 193 B10R1.61 CC(C)c1cncnc1Cl AB55647 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.61 CC(c1cccnc1Br)N AB41828 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.61 CC(c1cccnc1Cl)N AB67346 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.61 CC(c1cnccc1Cl)N AB68000 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.61 CN(C)c1c(cccn1)O MB24991 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.61 CN(C)c1ccccc1O MB08302 [1,0,0,0,0,0|1,0,0]=2 201 B10R1.61 CN(C)c1ccncc1O MB24982 [1,0,0,0,0,0|2,0,0]=3 202 B10R1.61 CN(C)c1cnccc1O MB24989 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [1,0,0,0,0,0|2,0,0]=3 204 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.61 Cc1ccncc1C(C)N AB67850 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [1,0,0,0,0,0|2,0,1]=4 207 B12R1.57 CC(C)c1ccc(cc1C#N)O MB22554 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.57 CC(C)c1ccc(cc1C=O)O MB22572 [0,1,0,0,0,0|1,0,1]=3 209 B12R1.57 CC(C)c1ccc(cc1CN)O MB38827 [0,1,0,0,0,0|2,0,0]=3 210 B12R1.57 CC(C)c1ccc(cc1NC)O MB35650 [0,1,0,0,0,0|2,0,0]=3 211 B12R1.57 CC(C)c1ccc(cc1OC)O MB33914 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.57 CC(C)c1ccc(cc1SC)O MB30926 [0,1,0,0,0,0|1,1,0]=3 213 B12R1.57 CCc1cc(ccc1C(C)C)O MB23739 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.57 CCc1cc(ccc1N(C)C)O MB23760 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.57 CN(C)c1ccc(cc1C=O)O MB34074 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.57 CN(C)c1ccc(cc1CN)O MB35314 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.57 CN(C)c1ccc(cc1OC)O MB25710 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.57 CN(C)c1ccc(cc1SC)O MB32058 [0,1,0,0,0,0|2,1,0]=4 219 B12R1.57 CNc1cc(ccc1N(C)C)O MB34495 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] AB00874 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.126 CC(C)(C)c1ccc(cc1Br)O MB21813 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.126 CC(C)(C)c1ccc(cc1Cl)O MB21815 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.126 CC(C)(C)c1ccc(cc1F)O MB21800 [0,1,0,0,0,0|2,0,0]=3 224 B12R1.126 CC(C)(C)c1ccc(cc1I)O MB21801 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.126 CC(C)(C)c1ccc(cc1N)O MB21802 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.126 CC(C)(C)c1ccc(cc1O)Br MB09250 [0,1,0,0,0,0|1,0,0]=2 227 B12R1.126 CC(C)(C)c1ccc(cc1O)Cl MB21821 [0,1,0,0,0,0|1,0,0]=2 228 B12R1.126 CC(C)(C)c1ccc(cc1O)F MB21768 [0,1,0,0,0,0|1,0,0]=2 229 B12R1.126 CC(C)(C)c1ccc(cc1O)I MB21772 [0,1,0,0,0,0|1,0,0]=2 230 B12R1.126 CC(C)(C)c1ccc(cc1O)N MB21780 [0,1,0,0,0,0|1,0,0]=2 231 B12R1.126 Cc1cc(ccc1C(C)(C)C)O MB23393 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.126 Cc1ccc(c(c1)O)C(F)(F)F MB23404 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.126 Cc1ccc(c(c1)O)S(=O)(=O)N MB23408 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.126 c1cc(c(cc1Br)O)C(F)(F)F MB05099 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.126 c1cc(c(cc1Cl)O)C(F)(F)F MB09933 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.126 c1cc(c(cc1I)O)C(F)(F)F MB34436 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)F MB07188 [0,1,0,0,0,0|2,0,1]=4 238 B12R1.232 CC(=O)c1cc(c(cc1O)O)Cl MB02763 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.232 CC(C)c1cc(c(cc1O)O)Br MB19823 [0,1,0,0,0,0|1,0,0]=2 240 B12R1.452 CC(=O)c1c(cc(cn1)CCl)O AB84327 [0,1,0,0,0,0|2,0,1]=4 241 B12R1.452 CC(=O)c1c(cc(cn1)OC)O AB74834 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.452 CC(=O)c1ccc(cc1F)OC PB30564 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.452 CC(=O)c1ccc(nc1O)CCl AB84289 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.452 CC(=O)c1ccc(nc1O)OC AB84275 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.452 CC(=O)c1cnc(cc1O)CCl AB84209 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.452 CC(=O)c1cnc(cc1O)OC AB72642 [0,1,0,0,0,0|2,0,1]=4 247 B12R1.452 CC(C)c1ccc(cc1F)OC PB12327 [0,1,0,0,0,0|1,0,0]=2 248 B12R1.452 CC(C)c1ccc(cc1O)C#N MB22460 [0,1,0,0,0,0|0,0,1]=2 249 B12R1.452 CC(C)c1ccc(cc1O)C=O MB22475 [0,1,0,0,0,0|0,0,1]=2 250 B12R1.452 CC(C)c1ccc(cc1O)CN MB36998 [0,1,0,0,0,0|0,0,0]=1 251 B12R1.452 CC(C)c1ccc(cc1O)NC MB35415 [0,1,0,0,0,0|0,0,0]=1 252 B12R1.452 CC(C)c1ccc(cc1O)OC MB37919 [0,1,0,0,0,0|0,0,0]=1 253 B12R1.452 CC(C)c1ccc(cc1O)SC MB37763 [0,1,0,0,0,0|0,0,0]=1 254 B12R1.452 CCc1ccc(c(c1)O)C(=O)N MB23792 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.452 CCc1ccc(c(c1)O)C(=O)O MB23797 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.452 CCc1ccc(c(c1)O)C(C)C MB23788 [0,1,0,0,0,0|0,0,0]=1 257 B12R1.452 CCc1ccc(c(c1)O)N(C)C MB23848 [0,1,0,0,0,0|1,0,0]=2 258 B12R1.452 CN(C)c1ccc(cc1O)C#N MB29438 [0,1,0,0,0,0|1,0,1]=3 259 B12R1.452 CN(C)c1ccc(cc1O)C=O MB35354 [0,1,0,0,0,0|1,0,1]=3 260 B12R1.452 CN(C)c1ccc(cc1O)CN MB38570 [0,1,0,0,0,0|1,0,0]=2 261 B12R1.452 CN(C)c1ccc(cc1O)OC MB27728 [0,1,0,0,0,0|1,0,0]=2 262 B12R1.452 CN(C)c1ccc(cc1O)SC MB28789 [0,1,0,0,0,0|1,0,0]=2 263 B12R1.452 CNc1ccc(c(c1)O)C(=O)N MB37392 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.452 CNc1ccc(c(c1)O)C(=O)O MB10618 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.452 CNc1ccc(c(c1)O)N(C)C MB30484 [0,1,0,0,0,0|1,0,0]=2 266 B12R1.452 CSc1ccc(c(c1)O)C(=O)N MB38873 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.452 CSc1ccc(c(c1)O)C(=O)O MB07648 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.452 Cc1cc(ccc1N(C)C)C=O CB10492 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.452 c1cc(c(cc1CBr)O)[N+](=O)[O-] AB72527 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.452 c1cc(c(cc1CN)O)C(=O)N MB36467 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.1703 CNC(=O)c1ccc(cc1O)Br MB14847 [0,1,0,0,0,0|2,0,1]=4 272 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl MB09389 [0,1,0,0,0,0|2,0,1]=4 273 B12R1.1703 CNC(=O)c1ccc(cc1O)F MB25343 [0,1,0,0,0,0|2,0,1]=4 274 B12R1.1703 CNC(=O)c1ccc(cc1O)I MB25350 [0,1,0,0,0,0|2,0,1]=4 275 B12R1.1703 CNC(=O)c1ccc(cc1O)N MB25357 [0,1,0,0,0,0|2,0,1]=4 276 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC AB16571 [0,1,0,0,0,0|2,0,1]=4 277 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NC MB09401 [0,1,0,0,0,0|1,0,1]=3 278 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC AB55505 [0,1,0,0,0,0|2,0,1]=4 279 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr AB16102 [0,1,0,0,0,0|2,0,1]=4 280 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,0,0,1,0,0|3,0,0]=4 281 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,0,0,1,0,0|2,0,0]=3 282 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,0,0,1,0,0|2,0,0]=3 283 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,0,0,1,0,0|2,0,0]=3 284 B12R2.612 Cc1ccc2c(c1)onc2Cl AB25984 [0,0,0,1,0,0|2,0,1]=4 285 B12R2.612 Cc1ccc2c(n1)OCC2=O AB70120 [0,0,0,1,0,0|2,0,1]=4 286 B12R2.612 c1cc(nc2c1C(CO2)N)Cl AB70110 [0,0,0,1,0,0|3,0,0]=4 287 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,0,0,1,0,0|3,0,0]=4 288 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,0,0,1,0,0|3,0,0]=4 289 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,0,0,1,0,0|3,0,0]=4 290 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,0,0,1,0,0|3,0,0]=4 291 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [0,0,0,1,0,0|2,0,1]=4 292 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,0,0,1,0,0|2,0,0]=3 293 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,0,0,1,0,0|3,0,0]=4 294 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,0,0,1,0,0|3,0,0]=4 295 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,0,0,1,0,0|3,0,0]=4 296 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,0,0,1,0,0|2,0,1]=4 297 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,0,0,1,0,0|2,0,0]=3 298 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,0,0,1,0,0|3,0,0]=4 299 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,0,0,1,0,0|3,0,0]=4 300 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,0,0,1,0,0|3,0,0]=4 301 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,0,0,1,0,0|2,0,1]=4 302 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,0,0,1,0,0|2,0,0]=3 303 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,0,0,1,0,0|3,0,0]=4 304 B12R2.1317 c1cn(c(=O)cc1Br)C2CC2 MB19872 [0,0,0,1,0,0|2,0,1]=4 305 B12R1.233 CC(C)Oc1c(cc(cn1)Br)I AB31061 [0,0,0,0,0,1|3,0,0]=4 306 B12R1.233 CC(C)Oc1ccc(cc1Br)O MB23132 [0,0,0,0,0,1|2,0,0]=3 307 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,0,0,0,0,1|2,0,0]=3 308 B12R1.233 CC(C)Oc1ccc(cc1F)O MB23119 [0,0,0,0,0,1|2,0,0]=3 309 B12R1.233 CC(C)Oc1ccc(cc1I)O MB23120 [0,0,0,0,0,1|2,0,0]=3 310 B12R1.233 CC(C)Oc1ccc(cc1N)O MB23121 [0,0,0,0,0,1|2,0,0]=3 311 B12R1.233 CC(C)Oc1ccc(cc1O)Br MB23150 [0,0,0,0,0,1|1,0,0]=2 312 B12R1.233 CC(C)Oc1ccc(cc1O)Cl MB13550 [0,0,0,0,0,1|1,0,0]=2 313 B12R1.233 CC(C)Oc1ccc(cc1O)F MB14580 [0,0,0,0,0,1|1,0,0]=2 314 B12R1.233 CC(C)Oc1ccc(cc1O)I MB23040 [0,0,0,0,0,1|1,0,0]=2 315 B12R1.233 CC(C)Oc1ccc(cc1O)N MB23049 [0,0,0,0,0,1|1,0,0]=2 316 B12R1.233 Cc1cc(ccc1OC(C)C)O MB13553 [0,0,0,0,0,1|2,0,0]=3 317 B12R1.233 Cc1ccc(c(c1)O)OC(C)C MB13554 [0,0,0,0,0,1|0,0,0]=1 318 B9R1.1 CCc1ccc(cn1)N AB63590 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.1 CCc1ccc(cn1)O MB03842 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.1 CCc1ccc(nc1)Br MB10294 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.1 Cc1ccc(cn1)CCl AB59938 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.1 Cc1ccc(cn1)CN PB20145 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.1 Cc1ccc(cn1)OC AB52739 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.1 Cc1ccc(nc1)CCl AB59994 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.1 Cc1ccc(nc1)CN AB48926 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.1 c1cc(ccc1CBr)Br AB00113 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.1 c1cc(ccc1CI)O MB06957 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.1 c1cc(ccc1CN)O AB11678 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.6 CC(C)c1ccccn1 PB21659 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.6 CC(c1ccccc1)Cl AB01249 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.6 CC(c1ccccn1)N AB21604 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.6 CC(c1cccnc1)N AB09764 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.6 CC(c1ccncc1)N AB11609 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.6 C[C@H](c1cccnc1)N AB49734 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.6 C[C@H](c1ccncc1)N AB49745 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.15 CCc1c(cccn1)Br AB68544 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.15 CCc1c(cccn1)O MB01433 [2,0,0,0,0,0|1,0,0]=3 341 B9R1.15 CCc1ccncc1O MB12325 [2,0,0,0,0,0|1,0,0]=3 342 B9R1.15 CCc1cnccc1Br PB37149 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.15 CCc1cnccc1O MB24095 [2,0,0,0,0,0|1,0,0]=3 344 B9R1.15 CNc1ccncc1O MB27525 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.15 CNc1cnccc1O MB29366 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.15 COc1c(cccn1)O AB06074 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.15 COc1cccnc1O AB43293 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.15 COc1ccncc1O MB09117 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.15 COc1cnccc1O MB25455 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.15 CSc1c(cccn1)O MB01598 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.15 CSc1ccncc1O MB25632 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.15 CSc1cnccc1O MB31499 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.15 c1cc(c(nc1)CN)O MB01728 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.15 c1cc(c(nc1)CO)O MB00702 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.15 c1cc(c(nc1)O)CO AB52938 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.15 c1ccc(c(c1)CI)O MB07048 [2,0,0,0,0,0|1,0,0]=3 357 B9R1.15 c1ccc(c(c1)CN)O MB01565 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.15 c1cncc(c1CN)O MB09249 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.15 c1cncc(c1O)CN MB35531 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [2,0,0,0,0,0|1,0,0]=3 363 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [2,0,0,0,0,0|1,0,0]=3 367 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [2,0,0,0,0,0|1,0,0]=3 374 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [2,0,0,0,0,0|1,0,0]=3 375 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [2,0,0,0,0,0|1,0,0]=3 376 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.69 Cc1ccc(cc1I)O MB07177 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.69 Cc1ccc(cc1O)Br MB05210 [2,0,0,0,0,0|1,0,0]=3 380 B9R1.69 Cc1ccc(cc1O)I MB12091 [2,0,0,0,0,0|1,0,0]=3 381 B9R1.69 Cc1ccc(nc1Br)C AB65454 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.69 Cc1ccc(nc1N)C AB25382 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.69 Cc1ccc(nc1O)C AB71286 [2,0,0,0,0,0|1,0,0]=3 384 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.69 Cc1ccc(nc1O)F AB82880 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.69 Cc1cnc(cc1O)Cl AB71181 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.69 Cc1cnc(cc1O)F AB71302 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.69 Cc1cnc(nc1O)C AB21544 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.69 c1cc(c(cc1F)O)I MB25431 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.69 c1cc(c(cc1I)O)F MB14983 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.69 c1cc(c(cc1I)O)I MB07529 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.69 c1cc(c(cc1I)O)N MB14436 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.69 c1cc(c(cc1N)O)F MB13362 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.69 c1cc(c(cc1N)O)I MB37209 [2,0,0,0,0,0|2,0,0]=4 401 B11R1.3 CC(C)c1cnc(cn1)CCl AB73123 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.3 CC(C)c1cnc(cn1)CN AB73125 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.3 CC(C)c1cnc(nc1)CCl AB59467 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.3 CC(C)c1cnc(nc1)CN AB59257 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.3 CC(C)c1ncc(cn1)CCl AB58914 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.3 CC(C)c1ncc(cn1)CN AB58539 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.3 CC(c1ccc(nc1)OC)N AB67099 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.3 CN(C)c1ccc(cc1)CO AB16431 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.3 CN(C)c1ccc(cn1)CN AB44372 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.3 CN(C)c1ccc(cn1)CO AB44151 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.19 CC(C)(C)c1ccc(cn1)Br MB10118 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.19 CC(C)(C)c1ccc(cn1)Cl AB71814 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.19 CC(C)(C)c1ccc(cn1)O MB11628 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.19 CC(C)(C)c1ccc(nc1)Br MB10299 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.19 CC(C)(c1ccc(cc1)Br)N AB29702 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.19 CC(C)(c1ccc(cc1)Cl)N AB45929 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.19 CC(C)(c1ccc(cc1)F)N AB42400 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.19 CC(C)(c1ccc(nc1)Cl)N AB67365 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.19 Cc1ccc(cc1)C(C)(C)N AB45930 [1,1,0,0,0,0|0,0,0]=2 420 B11R1.19 Cc1ccc(cn1)C(C)(C)N AB66958 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.21 CC(C)c1ccc(c(c1)Cl)O MB22550 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.21 CC(C)c1ccc(c(c1)F)O MB22546 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.21 CC(C)c1ccc(c(c1)I)O MB22548 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.21 CC(C)c1ccc(c(c1)O)Br MB09104 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.21 CC(C)c1ccc(c(c1)O)Cl MB22599 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.21 CC(C)c1ccc(c(c1)O)F MB22510 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.21 CC(C)c1ccc(c(c1)O)I MB14755 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.21 CC(C)c1ccc(c(c1)O)N MB22521 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.21 CC(C)c1ccc(c(n1)Cl)N AB73366 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.21 CC(C)c1ccc(c(n1)F)F AB73369 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.21 CC(C)c1ccc(c(n1)N)N AB73420 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.21 CN(C)c1ccc(c(c1)Br)O MB24862 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.21 CN(C)c1ccc(c(c1)Cl)O MB24865 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.21 CN(C)c1ccc(c(c1)F)O MB24855 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.21 CN(C)c1ccc(c(c1)I)O MB24856 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.21 CN(C)c1ccc(c(c1)N)O MB24858 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.21 CN(C)c1ccc(c(c1)O)Br MB24903 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.21 CN(C)c1ccc(c(c1)O)Cl MB24907 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.21 CN(C)c1ccc(c(c1)O)F MB24813 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.21 CN(C)c1ccc(c(c1)O)I MB24818 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.21 CN(C)c1ccc(c(c1)O)N MB24826 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.21 Cc1cc(ccc1O)N(C)C MB23339 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.21 Cc1ccc(cc1O)C(C)C MB00118 [1,1,0,0,0,0|0,0,0]=2 445 B11R1.21 Cc1ccc(cc1O)N(C)C MB23415 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.22 C[C@@H](CN)c1ccc(cc1)Br AB85104 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.22 C[C@H](CN)c1ccc(cc1)Br AB85095 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.22 C[C@H](CN)c1ccc(cc1)F AB85098 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.37 CCc1ccc(cc1C#N)O MB23915 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.37 CCc1ccc(cc1C=O)O MB23937 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.37 CCc1ccc(cc1CC)O MB23941 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.37 CCc1ccc(cc1CN)O MB23942 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.37 CCc1ccc(cc1NC)O MB23952 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.37 CCc1ccc(cc1OC)O MB23954 [1,1,0,0,0,0|1,0,0]=3 455 B11R1.37 CCc1ccc(cc1SC)O MB23964 [1,1,0,0,0,0|1,1,0]=4 456 B11R1.37 CNc1ccc(cc1OC)O MB33444 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.37 COc1cc(ccc1CN)O MB05069 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.37 COc1ccc(cc1CO)Br MB00140 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.81 CNCc1ccc(cc1Cl)Cl PB15788 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.81 Cc1cc(c(cn1)CCN)Cl AB83329 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.81 Cc1cc(c(cn1)CCN)F AB83049 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.81 Cc1cc(c(nc1)CCN)C AB65484 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.81 Cc1cc(c(nc1)CCN)Cl AB83243 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.81 Cc1cc(c(nc1)CCN)F AB76359 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.81 Cc1cc(ncc1CCN)C AB82577 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.277 COc1cc(c(cc1O)Br)Cl MB19828 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.279 CCc1ccc(c(c1)O)C#N AB50292 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [1,1,0,0,0,0|0,0,0]=2 470 B11R1.279 CCc1ccc(c(c1)O)CN MB23834 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.279 CCc1ccc(cc1O)C#N MB23779 [1,1,0,0,0,0|0,0,1]=3 475 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [1,1,0,0,0,0|0,0,1]=3 476 B11R1.279 CCc1ccc(cc1O)CN MB23838 [1,1,0,0,0,0|0,0,0]=2 477 B11R1.279 CCc1ccc(cc1O)NC MB23855 [1,1,0,0,0,0|0,0,0]=2 478 B11R1.279 CCc1ccc(cc1O)OC MB04144 [1,1,0,0,0,0|0,0,0]=2 479 B11R1.279 CCc1ccc(cc1O)SC MB23989 [1,1,0,0,0,0|0,0,0]=2 480 B11R1.279 CNc1ccc(c(c1)O)C=O MB38816 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.279 CNc1ccc(c(c1)O)NC MB27488 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.279 CNc1ccc(c(c1)O)SC MB31040 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.279 CNc1ccc(cc1O)C#N MB32288 [1,1,0,0,0,0|1,0,1]=4 484 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [1,1,0,0,0,0|1,0,1]=4 485 B11R1.279 CNc1ccc(cc1O)CN MB30036 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.279 CNc1ccc(cc1O)OC MB36336 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.279 COc1ccc(c(c1)F)CBr AB50043 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.279 COc1ccc(c(c1)F)CN AB20685 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.279 COc1ccc(c(c1)F)CO AB20682 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [1,1,0,0,0,0|1,0,1]=4 491 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.279 COc1ccc(cc1O)C#N MB02393 [1,1,0,0,0,0|1,0,1]=4 496 B11R1.279 COc1ccc(cc1O)SC MB37214 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.279 CSc1ccc(c(c1)O)C=O MB32919 [1,1,0,0,0,0|1,0,1]=4 498 B11R1.279 CSc1ccc(cc1O)C#N MB28697 [1,1,0,0,0,0|1,0,1]=4 499 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [1,1,0,0,0,0|1,0,1]=4 500 B11R1.279 CSc1ccc(cc1O)CN MB29248 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.279 c1cc(c(cc1C#N)O)CN MB25482 [1,1,0,0,0,0|1,0,1]=4 502 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.279 c1cc(c(cc1CN)O)CN MB29403 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.53 CC(C)c1cccnc1C=O AB65916 [1,1,0,0,0,0|1,0,1]=4 505 B11R1.53 CC(C)c1cccnc1CO AB65913 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.53 CC(c1cccnc1OC)N AB67098 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.53 CC(c1cnccc1OC)N AB67900 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.87 CC(C)(C)c1c(cccn1)O MB01150 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.87 CC(C)(C)c1ccccc1N MB00719 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.87 CC(C)(C)c1ccncc1O MB21867 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.87 CC(C)(C)c1cnccc1O MB21874 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.87 CC(C)(c1ccccc1Br)N AB63424 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.87 CC(C)(c1ccccc1Cl)N AB64318 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.87 CC(C)(c1cccnc1Cl)N AB67370 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.87 C[Si](C)(C)c1ccccc1O AB54787 [1,1,0,0,0,0|0,1,0]=3 516 B11R1.87 Cc1c(cccn1)C(C)(C)N AB66961 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.156 CC(C)c1c(cccc1Br)O MB22335 [1,1,0,0,0,0|0,0,0]=2 518 B11R1.156 CC(C)c1c(cccc1Cl)O MB22338 [1,1,0,0,0,0|0,0,0]=2 519 B11R1.156 CC(C)c1c(cccc1F)O MB22319 [1,1,0,0,0,0|0,0,0]=2 520 B11R1.156 CC(C)c1c(cccc1I)O MB22320 [1,1,0,0,0,0|0,0,0]=2 521 B11R1.156 CC(C)c1c(cccc1O)N MB22301 [1,1,0,0,0,0|0,0,0]=2 522 B11R1.156 CN(C)c1c(cccc1Br)O MB24668 [1,1,0,0,0,0|1,0,0]=3 523 B11R1.156 CN(C)c1c(cccc1Cl)O MB24669 [1,1,0,0,0,0|1,0,0]=3 524 B11R1.156 CN(C)c1c(cccc1F)O MB24657 [1,1,0,0,0,0|1,0,0]=3 525 B11R1.156 CN(C)c1c(cccc1I)O MB24659 [1,1,0,0,0,0|1,0,0]=3 526 B11R1.156 CN(C)c1c(cccc1O)N MB24642 [1,1,0,0,0,0|1,0,0]=3 527 B11R1.156 Cc1cccc(c1C(C)C)O MB22300 [1,1,0,0,0,0|0,0,0]=2 528 B11R1.156 Cc1cccc(c1N(C)C)O MB00361 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.159 CC(C)c1cccc(c1Br)O MB22666 [1,1,0,0,0,0|1,0,0]=3 531 B11R1.159 CC(C)c1cccc(c1Cl)O MB22669 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.159 CC(C)c1cccc(c1F)O MB22646 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.159 CC(C)c1cccc(c1I)O MB22650 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.159 CC(C)c1cccc(c1N)O MB22652 [1,1,0,0,0,0|1,0,0]=3 535 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [1,1,0,0,0,0|0,0,0]=2 536 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [1,1,0,0,0,0|0,0,0]=2 537 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [1,1,0,0,0,0|0,0,0]=2 538 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [1,1,0,0,0,0|0,0,0]=2 539 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [1,1,0,0,0,0|0,0,0]=2 540 B11R1.159 CN(C)c1cccc(c1Br)O MB24971 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.159 CN(C)c1cccc(c1Cl)O MB24972 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.159 CN(C)c1cccc(c1F)O MB24959 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.159 CN(C)c1cccc(c1I)O MB24960 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.159 CN(C)c1cccc(c1N)O MB24961 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [1,1,0,0,0,0|1,0,0]=3 548 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [1,1,0,0,0,0|1,0,0]=3 549 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [1,1,0,0,0,0|1,0,0]=3 550 B11R1.159 Cc1c(cccc1O)C(C)C MB22624 [1,1,0,0,0,0|1,0,0]=3 551 B11R1.159 Cc1c(cccc1O)N(C)C MB33870 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [1,1,0,0,0,0|0,0,0]=2 553 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [1,1,0,0,0,0|1,0,0]=3 554 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [1,1,0,0,0,0|1,0,1]=4 555 B11R1.167 CC(C)c1cc(ccc1Br)O MB14742 [1,1,0,0,0,0|1,0,0]=3 556 B11R1.167 CC(C)c1cc(ccc1Cl)O MB22457 [1,1,0,0,0,0|1,0,0]=3 557 B11R1.167 CC(C)c1cc(ccc1F)O MB22446 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.167 CC(C)c1cc(ccc1I)O MB09273 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.167 CC(C)c1cc(ccc1N)O MB22448 [1,1,0,0,0,0|1,0,0]=3 560 B11R1.167 CC(C)c1cc(ccc1O)Br MB00402 [1,1,0,0,0,0|0,0,0]=2 561 B11R1.167 CC(C)c1cc(ccc1O)Cl MB22459 [1,1,0,0,0,0|0,0,0]=2 562 B11R1.167 CC(C)c1cc(ccc1O)F MB22379 [1,1,0,0,0,0|0,0,0]=2 563 B11R1.167 CC(C)c1cc(ccc1O)I MB22381 [1,1,0,0,0,0|0,0,0]=2 564 B11R1.167 CC(C)c1cc(ccc1O)N MB22385 [1,1,0,0,0,0|0,0,0]=2 565 B11R1.167 CN(C)c1cc(ccc1Br)O MB24761 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.167 CN(C)c1cc(ccc1Cl)O MB24764 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.167 CN(C)c1cc(ccc1F)O MB24743 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.167 CN(C)c1cc(ccc1I)O MB24745 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.167 CN(C)c1cc(ccc1N)O MB24748 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.167 CN(C)c1cc(ccc1O)Br MB24765 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.167 CN(C)c1cc(ccc1O)Cl MB24769 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.167 CN(C)c1cc(ccc1O)F MB24705 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.167 CN(C)c1cc(ccc1O)I MB24708 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.167 CN(C)c1cc(ccc1O)N MB24713 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.167 Cc1ccc(c(c1)C(C)C)O MB00760 [1,1,0,0,0,0|0,0,0]=2 576 B11R1.167 Cc1ccc(c(c1)N(C)C)O MB23437 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.167 Cc1ccc(cc1C(C)C)O MB22427 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.167 Cc1ccc(cc1N(C)C)O MB06100 [1,1,0,0,0,0|2,0,0]=4 579 B11R1.222 CNC(=O)c1ccccc1O MB00422 [1,1,0,0,0,0|1,0,1]=4 580 B11R1.222 COC(=N)c1ccccc1O AB60984 [1,1,0,0,0,0|1,0,1]=4 581 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [1,1,0,0,0,0|1,0,1]=4 582 B13R1.51 CC(C)Oc1ccc(cc1C#N)O MB23098 [0,1,0,0,0,1|2,0,0]=4 583 B13R1.51 CC(C)Oc1ccc(cc1C=O)O MB23116 [0,1,0,0,0,1|1,0,1]=4 584 B13R1.51 CC(C)Oc1ccc(cc1CN)O MB33232 [0,1,0,0,0,1|2,0,0]=4 585 B13R1.51 CC(C)Oc1ccc(cc1NC)O MB26182 [0,1,0,0,0,1|2,0,0]=4 586 B13R1.51 CC(C)Oc1ccc(cc1OC)O MB36993 [0,1,0,0,0,1|1,0,0]=3 587 B13R1.51 CCc1cc(ccc1OC(C)C)O MB23765 [0,1,0,0,0,1|2,0,0]=4 588 B13R1.163 CN(C)C(=O)c1ccc(cc1O)Br MB14848 [0,1,0,0,0,1|2,0,0]=4 589 B13R1.163 CN(C)C(=O)c1ccc(cc1O)Cl MB09414 [0,1,0,0,0,1|2,0,0]=4 590 B13R1.163 CN(C)C(=O)c1ccc(cc1O)F MB24362 [0,1,0,0,0,1|2,0,0]=4 591 B13R1.163 CN(C)C(=O)c1ccc(cc1O)I MB24367 [0,1,0,0,0,1|2,0,0]=4 592 B13R1.163 CN(C)C(=O)c1ccc(cc1O)N MB24372 [0,1,0,0,0,1|2,0,0]=4 593 B13R1.163 Cc1ccc(c(c1)O)C(=O)N(C)C MB09419 [0,1,0,0,0,1|1,0,0]=3 594 B13R1.653 CC(C)Oc1ccc(cc1O)C#N MB22980 [0,1,0,0,0,1|0,0,1]=3 595 B13R1.653 CC(C)Oc1ccc(cc1O)C=O MB23004 [0,1,0,0,0,1|0,0,1]=3 596 B13R1.653 CC(C)Oc1ccc(cc1O)CN MB28319 [0,1,0,0,0,1|0,0,0]=2 597 B13R1.653 CC(C)Oc1ccc(cc1O)SC MB30393 [0,1,0,0,0,1|0,0,0]=2 598 B13R1.653 CCc1ccc(c(c1)O)OC(C)C MB23978 [0,1,0,0,0,1|0,0,0]=2 599 B13R1.883 CC(C)(C)Oc1ccc(cc1Br)O MB22124 [0,1,0,0,0,1|2,0,0]=4 600 B13R1.883 CC(C)(C)Oc1ccc(cc1Cl)O MB22126 [0,1,0,0,0,1|2,0,0]=4 601 B13R1.883 CC(C)(C)Oc1ccc(cc1F)O MB22109 [0,1,0,0,0,1|2,0,0]=4 602 B13R1.883 CC(C)(C)Oc1ccc(cc1I)O MB22112 [0,1,0,0,0,1|2,0,0]=4 603 B13R1.883 CC(C)(C)Oc1ccc(cc1N)O MB22113 [0,1,0,0,0,1|2,0,0]=4 604 B13R1.883 CC(C)(C)Oc1ccc(cc1O)Br MB22133 [0,1,0,0,0,1|1,0,0]=3 605 B13R1.883 CC(C)(C)Oc1ccc(cc1O)Cl MB22137 [0,1,0,0,0,1|1,0,0]=3 606 B13R1.883 CC(C)(C)Oc1ccc(cc1O)F MB22048 [0,1,0,0,0,1|1,0,0]=3 607 B13R1.883 CC(C)(C)Oc1ccc(cc1O)I MB22053 [0,1,0,0,0,1|1,0,0]=3 608 B13R1.883 CC(C)(C)Oc1ccc(cc1O)N MB22059 [0,1,0,0,0,1|1,0,0]=3 609 B13R1.883 Cc1cc(ccc1OC(C)(C)C)O MB22099 [0,1,0,0,0,1|2,0,0]=4 610 B13R1.883 Cc1ccc(c(c1)O)NS(=O)(=O)C MB03674 [0,1,0,0,0,1|2,0,0]=4 611 B13R1.883 Cc1ccc(c(c1)O)OC(C)(C)C MB23463 [0,1,0,0,0,1|0,0,0]=2 612 B13R1.2679 CC(CN)Oc1ccc(cc1Cl)Cl AB08417 [0,1,0,0,0,1|2,0,0]=4 613 B13R1.2679 CC(CN)Oc1ccc(cc1F)F AB38885 [0,1,0,0,0,1|2,0,0]=4 614 B13R1.2679 Cc1cc(ccc1OC(C)CN)F AB23632 [0,1,0,0,0,1|2,0,0]=4 615 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CN AB38873 [0,1,0,0,0,1|1,0,0]=3 616 B13R1.53 CC(C)(C)c1ccc(cc1C#N)O MB36543 [0,2,0,0,0,0|2,0,0]=4 617 B13R1.53 CC(C)(C)c1ccc(cc1C=O)O MB33127 [0,2,0,0,0,0|1,0,1]=4 618 B13R1.53 CC(C)(C)c1ccc(cc1CN)O MB36980 [0,2,0,0,0,0|2,0,0]=4 619 B13R1.53 CC(C)(C)c1ccc(cc1NC)O MB38571 [0,2,0,0,0,0|2,0,0]=4 620 B13R1.53 CC(C)(C)c1ccc(cc1OC)O MB00271 [0,2,0,0,0,0|1,0,0]=3 621 B13R1.53 CC(C)(C)c1ccc(cc1SC)O MB33520 [0,2,0,0,0,0|1,1,0]=4 622 B13R1.53 CCc1cc(ccc1C(C)(C)C)O MB23735 [0,2,0,0,0,0|2,0,0]=4 623 B13R1.165 B(c1cc(ccc1N(C)C)C)(O)O AB30230 [0,2,0,0,0,0|1,0,0]=3 624 B13R1.165 CC(C)c1ccc(cc1C(=O)N)O MB22564 [0,2,0,0,0,0|1,0,1]=4 625 B13R1.165 CC(C)c1ccc(cc1C(=O)O)O MB22568 [0,2,0,0,0,0|1,0,0]=3 626 B13R1.165 CC(C)c1ccc(cc1C(C)C)O MB22559 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.165 CN(C)c1ccc(cc1C(=O)O)O MB24878 [0,2,0,0,0,0|2,0,0]=4 628 B13R1.96 CC(C)(C)c1ccc(cc1O)C#N MB27032 [0,2,0,0,0,0|0,0,1]=3 629 B13R1.96 CC(C)(C)c1ccc(cc1O)C=O MB26331 [0,2,0,0,0,0|0,0,1]=3 630 B13R1.96 CC(C)(C)c1ccc(cc1O)NC MB26932 [0,2,0,0,0,0|0,0,0]=2 631 B13R1.96 CC(C)(C)c1ccc(cc1O)SC MB38260 [0,2,0,0,0,0|0,0,0]=2 632 B13R1.96 CCc1ccc(c(c1)O)C(C)(C)C MB23800 [0,2,0,0,0,0|0,0,0]=2 633 B13R1.96 CCc1ccc(c(c1)O)C(F)(F)F MB23804 [0,2,0,0,0,0|2,0,0]=4 634 B13R1.96 CNc1ccc(c(c1)O)C(F)(F)F MB27965 [0,2,0,0,0,0|2,0,0]=4 635 B13R1.96 COc1ccc(c(c1)O)C(F)(F)F MB13388 [0,2,0,0,0,0|2,0,0]=4 636 B13R1.96 CSc1ccc(c(c1)O)C(F)(F)F MB32469 [0,2,0,0,0,0|2,0,0]=4 637 B13R1.96 c1cc(c(cc1CN)O)C(F)(F)F MB35442 [0,2,0,0,0,0|2,0,0]=4 638 B13R1.652 CC(C)c1cc(c(cc1F)OC)Br PB11150 [0,2,0,0,0,0|1,0,0]=3 639 B13R1.652 CC(C)c1cc(c(cc1F)OC)I PB36300 [0,2,0,0,0,0|1,0,0]=3 640 B13R1.95 CCc1ccc(c(c1)O)C(=O)NC MB23786 [0,2,0,0,0,0|1,0,1]=4 641 B13R1.95 CNC(=O)c1ccc(cc1O)CN MB25337 [0,2,0,0,0,0|1,0,1]=4 642 B13R1.95 CNC(=O)c1ccc(cc1O)OC MB09393 [0,2,0,0,0,0|1,0,1]=4 643 B13R1.95 CNC(=O)c1ccc(cc1O)SC MB28267 [0,2,0,0,0,0|1,0,1]=4 644 B13R1.120 CC(C)c1ccc(c(c1)O)N(C)C MB22517 [0,2,0,0,0,0|1,0,0]=3 645 B13R1.120 CC(C)c1ccc(cc1O)C(=O)N MB22488 [0,2,0,0,0,0|0,0,1]=3 646 B13R1.120 CC(C)c1ccc(cc1O)C(=O)O MB22489 [0,2,0,0,0,0|0,0,1]=3 647 B13R1.120 CC(C)c1ccc(cc1O)N(C)C MB22497 [0,2,0,0,0,0|0,0,0]=2 648 B13R1.120 CN(C)c1ccc(c(c1)O)N(C)C MB24823 [0,2,0,0,0,0|1,0,0]=3 649 B13R1.120 CN(C)c1ccc(cc1O)C(=O)N MB24793 [0,2,0,0,0,0|1,0,1]=4 650 B13R1.120 CN(C)c1ccc(cc1O)C(=O)O MB24796 [0,2,0,0,0,0|1,0,1]=4 651 B13R1.4656 Cc1cc(c(c(c1)O)C(=O)OC)C MB08951 [0,2,0,0,0,0|1,0,1]=4 652 B11R2.34 c1cc(ncc1Br)C2CC2 AB65328 [1,0,0,1,0,0|2,0,0]=4 653 B11R2.34 c1cc(ncc1C2CC2)Br MB10291 [1,0,0,1,0,0|2,0,0]=4 654 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [1,0,0,1,0,0|2,0,0]=4 655 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [1,0,0,1,0,0|1,0,1]=4 656 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [1,0,0,1,0,0|2,0,0]=4 657 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [1,0,0,1,0,0|1,0,0]=3 658 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [1,0,0,1,0,0|2,0,0]=4 659 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [1,0,0,1,0,0|2,0,0]=4 660 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [1,0,0,1,0,0|1,0,0]=3 661 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [1,0,0,1,0,0|2,0,0]=4 662 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [1,0,0,1,0,0|2,0,0]=4 663 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [1,0,0,1,0,0|2,0,0]=4 664 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|2,0,0]=4 665 B11R2.1 c1cc2c(nc1)OCC2N AB70106 [1,0,0,1,0,0|2,0,0]=4 666 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,1,0,0|1,0,1]=4 667 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [1,0,0,1,0,0|1,0,0]=3 668 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [1,0,0,1,0,0|2,0,0]=4 669 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [1,0,0,1,0,0|2,0,0]=4 670 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [1,0,0,1,0,0|2,0,0]=4 671 B11R2.55 c1ccc(c(c1)C2CO2)Cl MB07493 [1,0,0,1,0,0|2,0,0]=4 672 B13R2.3051 CC1(Cc2cc(ccc2O1)Br)C AB66615 [0,0,0,1,0,1|2,0,0]=4 673 B13R2.3051 CC1(Cc2ccc(cc2O1)Br)C AB72242 [0,0,0,1,0,1|1,0,0]=3 674 B13R2.3683 Cc1ccc2c(c1)OCC(=O)C2 AB56631 [0,0,0,1,0,1|1,0,1]=4 675 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [0,0,0,1,0,1|1,0,1]=4 676 B13R2.3683 Cc1ccc2c(c1)OCC(C2)N AB56664 [0,0,0,1,0,1|1,0,0]=3 677 B13R2.3683 c1cc2c(cc1Br)OCC(C2)N AB56668 [0,0,0,1,0,1|2,0,0]=4 678 B13R2.3683 c1cc2c(cc1Br)OCC(C2)O AB66841 [0,0,0,1,0,1|2,0,0]=4 679 B13R2.3683 c1cc2c(cc1Cl)OCC(C2)N AB56672 [0,0,0,1,0,1|2,0,0]=4 680 B13R2.3683 c1cc2c(cc1F)OCC(C2)N AB56676 [0,0,0,1,0,1|2,0,0]=4 681 B13R2.5400 Cc1cc(c(cn1)OC2CC2)Br MB35272 [0,0,0,1,0,1|2,0,0]=4 682 B13R2.5400 Cc1cc(c(cn1)OC2CC2)Cl MB29819 [0,0,0,1,0,1|2,0,0]=4 683 B13R2.5400 Cc1cc(c(cn1)OC2CC2)F MB31665 [0,0,0,1,0,1|2,0,0]=4 684 B13R2.5400 Cc1cc(c(cn1)OC2CC2)I MB35051 [0,0,0,1,0,1|2,0,0]=4 685 B13R2.5400 Cc1cc(c(cn1)OC2CC2)N MB29663 [0,0,0,1,0,1|2,0,0]=4 686 B13R2.5400 Cc1cc(ccc1CC2CC2)O MB26693 [0,0,0,1,0,1|2,0,0]=4 687 B13R2.5400 Cc1cc(ccc1OC2CC2)Br MB68699 [0,0,0,1,0,1|2,0,0]=4 688 B13R2.5400 Cc1cc(ccc1OC2CC2)Cl MB68930 [0,0,0,1,0,1|2,0,0]=4 689 B13R2.5400 Cc1cc(ccc1OC2CC2)F MB63257 [0,0,0,1,0,1|2,0,0]=4 690 B13R2.5400 Cc1cc(ccc1OC2CC2)I MB63410 [0,0,0,1,0,1|2,0,0]=4 691 B13R2.5400 Cc1cc(ccc1OC2CC2)N MB66260 [0,0,0,1,0,1|2,0,0]=4 692 B13R2.5400 Cc1cc(ncc1OC2CC2)C MB46204 [0,0,0,1,0,1|2,0,0]=4 693 B13R2.5400 Cc1ccc(c(c1)Br)OC2CC2 MB33841 [0,0,0,1,0,1|1,0,0]=3 694 B13R2.5400 Cc1ccc(c(c1)C)OC2CC2 MB50582 [0,0,0,1,0,1|1,0,0]=3 695 B13R2.5400 Cc1ccc(c(c1)Cl)OC2CC2 MB31541 [0,0,0,1,0,1|1,0,0]=3 696 B13R2.5400 Cc1ccc(c(c1)F)OC2CC2 MB37420 [0,0,0,1,0,1|1,0,0]=3 697 B13R2.5400 Cc1ccc(c(c1)I)OC2CC2 MB33415 [0,0,0,1,0,1|1,0,0]=3 698 B13R2.5400 Cc1ccc(c(c1)N)OC2CC2 MB28497 [0,0,0,1,0,1|1,0,0]=3 699 B13R2.5400 Cc1ccc(c(c1)O)CC2CC2 MB23523 [0,0,0,1,0,1|0,0,0]=2 700 B13R2.5400 Cc1ccc(c(n1)Br)OC2CC2 MB33666 [0,0,0,1,0,1|2,0,0]=4 701 B13R2.5400 Cc1ccc(c(n1)C)OC2CC2 MB47296 [0,0,0,1,0,1|2,0,0]=4 702 B13R2.5400 Cc1ccc(c(n1)Cl)OC2CC2 MB35606 [0,0,0,1,0,1|2,0,0]=4 703 B13R2.5400 Cc1ccc(c(n1)F)OC2CC2 MB32334 [0,0,0,1,0,1|2,0,0]=4 704 B13R2.5400 Cc1ccc(c(n1)I)OC2CC2 MB35127 [0,0,0,1,0,1|2,0,0]=4 705 B13R2.5400 Cc1ccc(c(n1)N)OC2CC2 MB27762 [0,0,0,1,0,1|2,0,0]=4 706 B13R2.5400 c1cc(c(cc1Br)Br)OC2CC2 MB68725 [0,0,0,1,0,1|2,0,0]=4 707 B13R2.5400 c1cc(c(cc1Br)Cl)OC2CC2 MB68729 [0,0,0,1,0,1|2,0,0]=4 708 B13R2.5400 c1cc(c(cc1Br)F)OC2CC2 MB68712 [0,0,0,1,0,1|2,0,0]=4 709 B13R2.5400 c1cc(c(cc1Br)I)OC2CC2 MB68716 [0,0,0,1,0,1|2,0,0]=4 710 B13R2.5400 c1cc(c(cc1Br)N)OC2CC2 MB68719 [0,0,0,1,0,1|2,0,0]=4 711 B13R2.5400 c1cc(c(cc1Br)O)CC2CC2 MB48463 [0,0,0,1,0,1|1,0,0]=3 712 B13R2.5400 c1cc(c(cc1Cl)Br)OC2CC2 MB20072 [0,0,0,1,0,1|2,0,0]=4 713 B13R2.5400 c1cc(c(cc1Cl)Cl)OC2CC2 MB20061 [0,0,0,1,0,1|2,0,0]=4 714 B13R2.5400 c1cc(c(cc1Cl)F)OC2CC2 MB68945 [0,0,0,1,0,1|2,0,0]=4 715 B13R2.5400 c1cc(c(cc1Cl)I)OC2CC2 MB68948 [0,0,0,1,0,1|2,0,0]=4 716 B13R2.5400 c1cc(c(cc1Cl)N)OC2CC2 MB68951 [0,0,0,1,0,1|2,0,0]=4 717 B13R2.5400 c1cc(c(cc1Cl)O)CC2CC2 MB50998 [0,0,0,1,0,1|1,0,0]=3 718 B13R2.5400 c1cc(c(cc1F)Br)OC2CC2 MB63275 [0,0,0,1,0,1|2,0,0]=4 719 B13R2.5400 c1cc(c(cc1F)Cl)OC2CC2 MB63278 [0,0,0,1,0,1|2,0,0]=4 720 B13R2.5400 c1cc(c(cc1F)I)OC2CC2 MB63266 [0,0,0,1,0,1|2,0,0]=4 721 B13R2.5400 c1cc(c(cc1F)N)OC2CC2 MB63269 [0,0,0,1,0,1|2,0,0]=4 722 B13R2.5400 c1cc(c(cc1F)O)CC2CC2 MB34925 [0,0,0,1,0,1|1,0,0]=3 723 B13R2.5400 c1cc(c(cc1I)Br)OC2CC2 MB63442 [0,0,0,1,0,1|2,0,0]=4 724 B13R2.5400 c1cc(c(cc1I)Cl)OC2CC2 MB63447 [0,0,0,1,0,1|2,0,0]=4 725 B13R2.5400 c1cc(c(cc1I)F)OC2CC2 MB63424 [0,0,0,1,0,1|2,0,0]=4 726 B13R2.5400 c1cc(c(cc1I)I)OC2CC2 MB63430 [0,0,0,1,0,1|2,0,0]=4 727 B13R2.5400 c1cc(c(cc1I)N)OC2CC2 MB63433 [0,0,0,1,0,1|2,0,0]=4 728 B13R2.5400 c1cc(c(cc1I)O)CC2CC2 MB37234 [0,0,0,1,0,1|1,0,0]=3 729 B13R2.5400 c1cc(c(cc1N)Br)OC2CC2 MB66292 [0,0,0,1,0,1|2,0,0]=4 730 B13R2.5400 c1cc(c(cc1N)Cl)OC2CC2 MB66297 [0,0,0,1,0,1|2,0,0]=4 731 B13R2.5400 c1cc(c(cc1N)F)OC2CC2 MB66272 [0,0,0,1,0,1|2,0,0]=4 732 B13R2.5400 c1cc(c(cc1N)I)OC2CC2 MB66276 [0,0,0,1,0,1|2,0,0]=4 733 B13R2.5400 c1cc(c(cc1N)N)OC2CC2 MB66284 [0,0,0,1,0,1|2,0,0]=4 734 B13R2.5400 c1cc(c(cc1N)O)CC2CC2 MB29383 [0,0,0,1,0,1|1,0,0]=3 735 B13R2.5400 c1cc(c(cc1O)Br)CC2CC2 MB26308 [0,0,0,1,0,1|2,0,0]=4 736 B13R2.5400 c1cc(c(cc1O)Cl)CC2CC2 MB31243 [0,0,0,1,0,1|2,0,0]=4 737 B13R2.5400 c1cc(c(cc1O)F)CC2CC2 MB32513 [0,0,0,1,0,1|2,0,0]=4 738 B13R2.5400 c1cc(c(cc1O)I)CC2CC2 MB32586 [0,0,0,1,0,1|2,0,0]=4 739 B13R2.5400 c1cc(c(cc1O)N)CC2CC2 MB29009 [0,0,0,1,0,1|2,0,0]=4 740 B13R2.3108 CC1(COc2c1ccc(c2)Br)C AB77123 [0,1,0,1,0,0|1,0,0]=3 741 B13R2.5179 Cc1ccc2c(c1)OCCC2=O MB00918 [0,1,0,1,0,0|1,0,1]=4 742 B13R2.5179 Cc1ccc2c(c1)OCCC2N MB07208 [0,1,0,1,0,0|1,0,0]=3 743 B13R2.5179 c1cc2c(cc1Br)OCCC2N MB08219 [0,1,0,1,0,0|2,0,0]=4 744 B13R2.5179 c1cc2c(cc1Cl)OCCC2N MB69092 [0,1,0,1,0,0|2,0,0]=4 745 B13R2.5179 c1cc2c(cc1F)OCCC2N MB15053 [0,1,0,1,0,0|2,0,0]=4 746 B13R2.2130 COc1ccc2c(c1)CC[C@H]2N AB29114 [0,1,0,1,0,0|2,0,0]=4 747 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,1,0,1,0,0|1,0,1]=4 748 B13R2.2130 COc1ccc2c(c1)OCC2N AB45857 [0,1,0,1,0,0|1,0,0]=3 749 B13R2.2130 COc1ccc2c(n1)OCC2N AB70113 [0,1,0,1,0,0|2,0,0]=4 750 B13R2.2130 c1cc2c(cc1CN)CCC2O MB05908 [0,1,0,1,0,0|2,0,0]=4 751 B13R2.5180 Cc1ccc2c(c1C)N=NC2C MB69270 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.35 Cc1[nH]cc(n1)C(C)C AB24901 [1,0,0,0,1,0|2,0,0]=4 753 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [1,0,0,0,0,1|1,0,0]=3 754 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [1,0,0,0,0,1|2,0,0]=4 755 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [1,0,0,0,0,1|2,0,0]=4 756 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [1,0,0,0,0,1|2,0,0]=4 757 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [1,0,0,0,0,1|2,0,0]=4 758 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [1,0,0,0,0,1|2,0,0]=4 759 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [1,0,0,0,0,1|2,0,0]=4 760 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [1,0,0,0,0,1|2,0,0]=4 761 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [1,0,0,0,0,1|2,0,0]=4 762 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [1,0,0,0,0,1|2,0,0]=4 763 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [1,0,0,0,0,1|2,0,0]=4 764 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [1,0,0,0,0,1|2,0,0]=4 765 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [1,0,0,0,0,1|2,0,0]=4 766 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [1,0,0,0,0,1|1,0,0]=3 767 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [1,0,0,0,0,1|1,0,1]=4 768 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [1,0,0,0,0,1|2,0,0]=4 769 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [1,0,0,0,0,1|1,0,0]=3 770 B11R1.86 CC(C)Oc1ccncc1O MB23246 [1,0,0,0,0,1|1,0,0]=3 771 B11R1.86 CC(C)Oc1cnccc1O MB23247 [1,0,0,0,0,1|1,0,0]=3 772 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [1,0,0,0,0,1|2,0,0]=4 773 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [1,0,0,0,0,1|2,0,0]=4 774 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [1,0,0,0,0,1|2,0,0]=4 775 B11R1.86 CN(C)Cc1ccccc1N AB01574 [1,0,0,0,0,1|2,0,0]=4 776 B11R1.86 Cc1ccccc1CC(C)N MB01550 [1,0,0,0,0,1|2,0,0]=4 777 B11R1.74 CC(C)c1cc(cc(c1)Br)O MB22419 [0,0,0,0,1,1|1,0,0]=3 778 B11R1.74 CC(C)c1cc(cc(c1)Cl)O MB22423 [0,0,0,0,1,1|1,0,0]=3 779 B11R1.74 CC(C)c1cc(cc(c1)F)O MB22411 [0,0,0,0,1,1|1,0,0]=3 780 B11R1.74 CC(C)c1cc(cc(c1)I)O MB22414 [0,0,0,0,1,1|1,0,0]=3 781 B11R1.74 CC(C)c1cc(cc(c1)O)N MB22382 [0,0,0,0,1,1|1,0,0]=3 782 B11R1.74 CN(C)c1cc(cc(c1)Br)O MB11861 [0,0,0,0,1,1|2,0,0]=4 783 B11R1.74 CN(C)c1cc(cc(c1)Cl)O MB11856 [0,0,0,0,1,1|2,0,0]=4 784 B11R1.74 CN(C)c1cc(cc(c1)F)O MB24732 [0,0,0,0,1,1|2,0,0]=4 785 B11R1.74 CN(C)c1cc(cc(c1)I)O MB24733 [0,0,0,0,1,1|2,0,0]=4 786 B11R1.74 CN(C)c1cc(cc(c1)O)N MB24711 [0,0,0,0,1,1|2,0,0]=4 787 B11R1.74 Cc1cc(cc(c1)O)C(=O)C AB16910 [0,0,0,0,1,1|1,0,1]=4 788 B11R1.74 Cc1cc(cc(c1)O)N(C)C MB23375 [0,0,0,0,1,1|1,0,0]=3 789 B11R1.74 Cc1cc(nc(c1)Cl)C(C)C AB63918 [0,0,0,0,1,1|1,0,0]=3 790 B11R1.74 Cc1cc(nc(c1)O)C(=O)C AB79873 [0,0,0,0,1,1|1,0,1]=4 791 B11R1.74 Cc1cc(nc(c1)O)C(C)C AB63914 [0,0,0,0,1,1|0,0,0]=2 792 B11R1.74 Cc1nc(cc(n1)O)C(C)C AB43353 [0,0,0,0,1,1|2,0,0]=4