0 B11R1.21 B(c1ccc(c(c1)O)Cl)(O)O CM10541 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br CM11175 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.21 CC(=O)c1ccc(c(c1)Br)F CM11144 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl CM11181 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F CM11161 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.21 CC(=O)c1ccc(c(c1)F)Br CM11146 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl CM11164 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.21 CC(=O)c1ccc(c(c1)F)O CM11200 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl CM11123 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.21 CC(=O)c1ccc(c(c1)N)F CM11126 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl CM12596 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.21 Cc1cc(ccc1F)C(=O)C CM11205 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] CM13962 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] CM10138 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.21 Cc1cc(ccc1O)C(=O)O CM12806 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] CM11791 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.21 Cc1ccc(cc1Br)C(=O)O CM12535 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] CM13935 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.21 Cc1ccc(cc1F)C(=O)O CM12766 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] CM13961 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.21 Cc1ccc(cc1I)C(=O)Cl CM12824 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] CM13969 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O CM14315 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.21 c1cc(c(cc1C(=O)Cl)F)Cl CM12579 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br CM12638 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl CM12462 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.21 c1cc(c(cc1C(=O)O)Br)I CM12518 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br CM12465 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F CM12575 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.21 c1cc(c(cc1C(=O)O)F)Br CM12500 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl CM12578 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.21 c1cc(c(cc1C(=O)O)F)F CM12108 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.21 c1cc(c(cc1C(=O)O)F)I CM12739 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.21 c1cc(c(cc1C(=O)O)F)N CM12407 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.21 c1cc(c(cc1C(=O)O)F)O CM12721 [0,0,0,0,0,0|1,0,0]=1 35 B11R1.21 c1cc(c(cc1C(=O)O)I)Br CM10859 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl CM10858 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.21 c1cc(c(cc1C(=O)O)I)F CM10861 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.21 c1cc(c(cc1C(=O)O)I)I CM10862 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.21 c1cc(c(cc1C(=O)O)I)N CM12419 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl CM12360 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.21 c1cc(c(cc1C(=O)O)N)N CM13996 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.21 c1cc(c(cc1C(=O)O)O)F CM12724 [0,0,0,0,0,0|1,0,0]=1 43 B11R1.21 c1cc(c(cc1C(=O)O)O)I CM12805 [0,0,0,0,0,0|1,0,0]=1 44 B11R1.21 c1cc(c(cc1C(=O)O)O)N CM12417 [0,0,0,0,0,0|1,0,0]=1 45 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)Cl CM12055 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)N CM11321 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)N CM11379 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Br CM12096 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Cl CM11278 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)F CM12228 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)I CM12268 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)N CM11474 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)O CM11766 [0,0,0,0,0,0|2,0,1]=3 54 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)N CM11499 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Br CM11322 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)F CM11476 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F CM11768 [0,0,0,0,0,0|2,0,1]=3 58 B10R1.13 B(c1ccc(cc1)F)(O)O CM13569 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.13 CC(=C)c1ccc(cc1)O CM10479 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.13 CN(C)c1ccc(cc1)O CM10392 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.13 c1c(cnc(n1)C(=O)O)Br CM14286 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.13 c1c(cnc(n1)C(=O)O)Cl CM14287 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.13 c1c(cnc(n1)Cl)C(=O)O CM14062 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.13 c1cc(ccc1C(=O)Cl)Br CM12451 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 c1cc(ccc1C(=O)Cl)F CM12712 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.13 c1cc(ccc1C(=O)Cl)I CM12820 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.13 c1cc(ccc1C(=O)N)F CM13176 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br CM12110 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.13 c1cc(ccc1[N+](=O)[O-])F CM12273 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.13 c1cc(ncc1C(=O)O)N CM10961 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.13 c1cc(ncc1F)C(=O)O CM14030 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 c1cc(ncc1I)C(=O)O CM10490 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] CM10446 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.113 CC(c1cccc(c1)F)O CM13506 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.113 Cc1cccc(c1)C(=S)O CM12849 [1,0,0,0,0,0|1,1,0]=3 88 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.113 c1c(cncc1Br)C(=O)O CM14037 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.113 c1c(nc(cn1)Br)C(=O)O CM10659 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.113 c1c(nc(cn1)Cl)C(=O)O CM10658 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [1,0,0,0,0,0|1,0,0]=2 93 B10R1.113 c1cc(cc(c1)N)C(=O)N CM13163 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [1,0,0,0,0,0|0,1,0]=2 95 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.113 c1cnc(cc1C(=O)O)N CM14043 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.113 c1cnc(cc1I)C(=O)O CM10569 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.113 c1cnc(nc1C(=O)O)N CM14051 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.176 CCc1ccc(c(c1)N)O CM10378 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.176 CCc1ccc(c(c1)O)O CM10874 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.176 COc1ccc(c(c1)Br)O CM10826 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.176 COc1ccc(c(c1)F)O CM10554 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.176 Cc1cc(ccc1Cl)C=O CM11897 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.176 Cc1cc(ccc1O)C=O CM11993 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.176 Cc1cc(cnc1O)C=O CM10161 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.176 Cc1ccc(cc1C)C=O CM11941 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.176 Cc1ccc(cc1F)C=O CM11972 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.176 c1cc(c(cc1C#N)Br)O CM12978 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.176 c1cc(c(cc1C#N)Cl)O CM13010 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.176 c1cc(c(cc1C#N)F)O CM13070 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.176 c1cc(c(cc1C#N)O)Cl CM10491 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.176 c1cc(c(cc1C#N)O)F CM10881 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.176 c1cc(c(cc1C#N)O)I CM13121 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.176 c1cc(c(cc1C=O)Br)O CM11852 [1,0,0,0,0,0|1,0,0]=2 115 B10R1.176 c1cc(c(cc1C=O)Cl)F CM11879 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.176 c1cc(c(cc1C=O)F)Br CM11843 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.176 c1cc(c(cc1C=O)F)Cl CM11882 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.176 c1cc(c(cc1C=O)F)F CM11932 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.176 c1cc(c(cc1C=O)F)I CM11955 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.176 c1cc(c(cc1C=O)F)O CM11950 [1,0,0,0,0,0|1,0,0]=2 121 B10R1.176 c1cc(c(cc1C=O)I)Br CM10864 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.176 c1cc(c(cc1C=O)I)Cl CM10865 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.176 c1cc(c(cc1C=O)I)F CM10860 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.176 c1cc(c(cc1C=O)I)I CM10863 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.176 c1cc(c(cc1C=O)O)Br CM11854 [1,0,0,0,0,0|1,0,0]=2 126 B10R1.176 c1cc(c(cc1C=O)O)O CM13991 [1,0,0,0,0,0|0,0,0]=1 127 B10R1.176 c1cc(c(cc1CO)F)F CM13379 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.176 c1cc(c(cc1CO)O)I CM13433 [1,0,0,0,0,0|1,0,1]=3 129 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O CM13571 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N CM12901 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.48 CC(=O)c1ccc(c(c1)F)OC CM11203 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.48 COc1ccc(cc1F)C(=O)Cl CM12751 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.48 COc1ccc(cc1F)C(=O)O CM12750 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] CM11783 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] CM11600 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.48 Cc1cc(ccc1C#N)C(=O)C CM11174 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.48 Cc1cc(ccc1C#N)C(=O)O CM12630 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] CM11789 [0,1,0,0,0,0|2,0,1]=4 139 B12R1.48 c1cc(c(cc1C(=O)O)Br)C=O CM10116 [0,1,0,0,0,0|1,0,1]=3 140 B12R1.48 c1cc(c(cc1C(=O)O)F)C#N CM12623 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.48 c1cc(c(cc1[N+](=O)[O-])O)C=O CM10349 [0,1,0,0,0,0|1,0,2]=4 142 B12R1.56 CC(=O)c1ccc(c(c1)C#N)N CM12900 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.56 CC(=O)c1ccc(c(c1)OC)F CM11204 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.56 CC(=O)c1ccc(c(c1)OC)O CM10957 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.56 CCc1cc(ccc1N)C(=O)O CM12392 [0,1,0,0,0,0|2,0,0]=3 146 B12R1.56 COc1cc(ccc1Br)C(=O)O CM12524 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] CM11659 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.56 COc1cc(ccc1Cl)C(=O)O CM12590 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] CM11693 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.56 COc1cc(ccc1F)C(=O)O CM12753 [0,1,0,0,0,0|1,0,0]=2 151 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] CM11767 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] CM11784 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.56 COc1cc(ccc1N)C(=O)O CM12425 [0,1,0,0,0,0|1,0,0]=2 154 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] CM11601 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O CM10476 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C#N)O CM10113 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.56 c1cc(c(cc1[N+](=O)[O-])CO)F CM13419 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F CM11140 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.232 CC(=O)c1cc(c(cc1F)F)F CM11233 [0,1,0,0,0,0|3,0,0]=4 160 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O CM12509 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.232 Cc1cc(c(cc1C(=O)O)Br)C CM10198 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.232 Cc1cc(c(cc1C)N)C(=O)O CM12386 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O CM12506 [0,1,0,0,0,0|2,0,0]=3 164 B12R1.232 Cc1cc(c(cc1F)C(=O)O)Br CM12508 [0,1,0,0,0,0|2,0,0]=3 165 B12R1.232 Cc1cc(c(cc1I)C(=O)O)O CM12804 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.232 Cc1cc(c(cc1O)C(=O)O)F CM12728 [0,1,0,0,0,0|1,0,0]=2 167 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O CM12366 [0,1,0,0,0,0|2,0,0]=3 168 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O CM12468 [0,1,0,0,0,0|2,0,0]=3 169 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O CM12368 [0,1,0,0,0,0|2,0,0]=3 170 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O CM12570 [0,1,0,0,0,0|2,0,0]=3 171 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O CM12467 [0,1,0,0,0,0|2,0,0]=3 172 B12R1.232 c1c(c(cc(c1F)Br)F)C(=O)O CM12480 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl CM12645 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O CM12644 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)Cl CM12569 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O CM12568 [0,1,0,0,0,0|2,0,0]=3 177 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O CM12477 [0,1,0,0,0,0|2,0,0]=3 178 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O CM12562 [0,1,0,0,0,0|2,0,0]=3 179 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl CM12881 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O CM12880 [0,1,0,0,0,0|2,0,0]=3 181 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)[O-] CM12879 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O CM12375 [0,1,0,0,0,0|2,0,0]=3 183 B12R1.232 c1c(c(cc(c1N)Cl)Cl)C(=O)O CM12371 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.232 c1c(c(cc(c1O)Br)F)[N+](=O)[O-] CM11645 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.232 c1c(c(cc(c1O)Cl)Cl)[N+](=O)[O-] CM11720 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.232 c1c(c(cc(c1O)Cl)F)[N+](=O)[O-] CM11685 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.232 c1c(c(cc(c1O)F)F)[N+](=O)[O-] CM11734 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.367 COC(=O)c1ccc(c(c1)Br)I CM12516 [0,1,0,0,0,0|2,0,0]=3 189 B12R1.367 COC(=O)c1ccc(c(c1)F)N CM12406 [0,1,0,0,0,0|2,0,0]=3 190 B12R1.367 COC(=O)c1ccc(c(c1)I)N CM12418 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.367 COC(=O)c1ccc(c(c1)I)O CM10364 [0,1,0,0,0,0|1,0,0]=2 192 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CM12352 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.367 COC(=O)c1ccc(c(c1)N)O CM12415 [0,1,0,0,0,0|1,0,0]=2 194 B12R1.367 COC(=O)c1ccc(c(c1)O)N CM12416 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.367 c1cc(c(cc1C(=O)CCl)F)F CM11157 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.893 CC(=O)c1ccc(c(c1F)F)F CM11230 [0,1,0,0,0,0|3,0,0]=4 197 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C CM12387 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O CM12384 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F CM12873 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F CM12473 [0,1,0,0,0,0|2,0,0]=3 201 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F CM12643 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F CM12565 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br CM12479 [0,1,0,0,0,0|2,0,0]=3 204 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F CM12872 [0,1,0,0,0,0|2,0,0]=3 205 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N CM12380 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O CM12668 [0,1,0,0,0,0|1,0,0]=2 207 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F CM12670 [0,1,0,0,0,0|1,0,0]=2 208 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)F CM12372 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.893 c1cc(c(c(c1C(=O)O)O)F)F CM12673 [0,1,0,0,0,0|2,0,0]=3 210 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F CM12871 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br CM11178 [0,1,0,0,0,0|2,0,0]=3 212 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)N)Cl CM11124 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)N CM12412 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)O CM12729 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)O CM12485 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)O CM10075 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.1005 Cc1cc(cc(c1N)C)C(=O)O CM12390 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.1005 Cc1cc(cc(c1O)C)[N+](=O)[O-] CM11746 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.1005 c1c(cc(c(c1Br)N)Br)C(=O)O CM12367 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.1005 c1c(cc(c(c1Cl)Cl)Cl)C(=O)O CM12870 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.1005 c1c(cc(c(c1Cl)F)Cl)C(=O)O CM12649 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.1005 c1c(cc(c(c1Cl)N)Cl)C(=O)O CM12370 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.1005 c1c(cc(c(c1F)F)Br)C(=O)O CM12478 [0,1,0,0,0,0|2,0,0]=3 224 B12R1.1005 c1c(cc(c(c1F)F)Cl)C(=O)O CM10074 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)O CM12884 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.1005 c1c(cc(c(c1F)N)F)C(=O)O CM12381 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.1005 c1c(cc(c(c1F)O)F)C(=O)O CM12674 [0,1,0,0,0,0|1,0,0]=2 228 B12R1.1005 c1c(cc(c(c1O)Br)F)[N+](=O)[O-] CM11644 [0,1,0,0,0,0|2,0,1]=4 229 B12R1.19 Cc1ccc(cc1C)CC(=O)O CM13697 [0,0,0,0,0,1|2,0,0]=3 230 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O CM13658 [0,0,0,0,0,1|1,0,0]=2 231 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl CM13673 [0,0,0,0,0,1|2,0,0]=3 232 B12R1.19 c1cc(c(cc1CC(=O)O)F)O CM13706 [0,0,0,0,0,1|1,0,0]=2 233 B9R1.1 c1cc(ccc1C=O)F CM11946 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.1 c1cc(ccc1C=O)I CM11996 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.1 c1cc(ccc1CO)F CM13405 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.1 c1cc(ccc1CO)N CM13264 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.1 c1cc(ncc1C=O)Br CM13843 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.6 c1cncnc1C(=O)O CM10263 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.2 CNc1cccc(c1)O CM10115 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.69 Cc1cc(ccc1F)O CM11763 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.69 Cc1cc(ccc1O)F CM11762 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.69 Cc1ccc(c(c1)Cl)O CM10213 [2,0,0,0,0,0|1,0,1]=4 243 B9R1.69 Cc1ccc(c(c1)O)Br CM10472 [2,0,0,0,0,0|1,0,1]=4 244 B9R1.69 Cc1ccc(c(c1)O)F CM11758 [2,0,0,0,0,0|1,0,1]=4 245 B9R1.69 Cc1ccc(cc1Br)O CM10192 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.69 Cc1ccc(cc1N)O CM11593 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.69 Cc1ccc(cc1O)F CM11764 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.69 Cc1ccc(cc1O)N CM11597 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.69 Cc1ccc(cc1O)O CM10187 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.69 c1cc(c(cc1Br)I)O CM11650 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.69 c1cc(c(cc1Br)N)O CM11544 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.69 c1cc(c(cc1Br)O)Br CM11709 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.69 c1cc(c(cc1Br)O)Cl CM11610 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.69 c1cc(c(cc1Br)O)F CM11642 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.69 c1cc(c(cc1Br)O)N CM11546 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.69 c1cc(c(cc1Cl)F)O CM11681 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.69 c1cc(c(cc1Cl)I)O CM11689 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.69 c1cc(c(cc1Cl)O)I CM11692 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.69 c1cc(c(cc1F)Br)O CM11628 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.69 c1cc(c(cc1F)F)O CM11724 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.69 c1cc(c(cc1F)I)O CM10851 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.69 c1cc(c(cc1F)N)O CM11571 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.69 c1cc(c(cc1F)O)Cl CM11677 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.69 c1cc(c(cc1F)O)F CM11725 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.69 c1cc(c(cc1F)O)I CM10850 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.69 c1cc(c(cc1F)O)N CM11573 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.69 c1cc(c(cc1I)Br)O CM10644 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.69 c1cc(c(cc1I)F)O CM11751 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.69 c1cc(c(cc1I)O)I CM10916 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.69 c1cc(c(cc1N)F)O CM11579 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.69 c1cc(c(cc1N)O)Cl CM11559 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.69 c1cc(c(cc1O)Br)Cl CM11607 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.69 c1cc(c(cc1O)Br)F CM11636 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.69 c1cc(c(cc1O)Cl)Br CM10223 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.69 c1cc(c(cc1O)Cl)I CM10112 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.69 c1cc(c(cc1O)Cl)N CM11558 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.69 c1cc(c(cc1O)Cl)N CM14377 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.69 c1cc(c(cc1O)F)Br CM11641 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.69 c1cc(c(cc1O)F)Cl CM10877 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.69 c1cc(c(cc1O)F)F CM11728 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.69 c1cc(c(cc1O)F)I CM10646 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.69 c1cc(c(cc1O)F)N CM11581 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.69 c1cc(c(cc1O)I)Cl CM11690 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.69 c1cc(c(cc1O)N)F CM11577 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.69 c1cc(c(cc1O)O)Br CM14332 [2,0,0,0,0,0|1,0,0]=3 286 B9R1.69 c1cc(c(cc1O)O)F CM11778 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.69 c1cc(c(cc1O)O)N CM10297 [2,0,0,0,0,0|1,0,0]=3 288 B11R1.3 CCc1ccc(nc1)C(=O)O CM10503 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.3 c1cc(ccc1CBr)C(=O)O CM10952 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.22 COC(=O)c1ccc(cc1)N CM12345 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.22 COC(=O)c1cnc(cn1)O CM14417 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.22 c1cc(ccc1C(=NO)N)F CM12026 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.22 c1cc(ccc1C(=O)CBr)Br CM11176 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CM11135 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.22 c1cc(ccc1C(=O)CBr)F CM11141 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.22 c1cc(ccc1C(=O)CN)Br CM11121 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.22 c1cc(ccc1C(=O)NN)Cl CM13812 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.166 CC(=O)c1ccc(cc1Br)N CM11122 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl CM11180 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.166 CC(=O)c1ccc(cc1Cl)F CM11158 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.166 CC(=O)c1ccc(cc1Cl)O CM11165 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.166 CC(=O)c1ccc(cc1F)Br CM11145 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.166 CC(=O)c1ccc(cc1F)Cl CM11163 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.166 CC(=O)c1ccc(cc1N)F CM10552 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.166 CC(=O)c1ccc(cc1O)Br CM14016 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.166 CC(=O)c1ccc(cc1O)Cl CM14015 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.166 CC(=O)c1ccc(cc1O)F CM14014 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.166 CC(=O)c1ccc(cc1O)N CM11128 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.166 Cc1cc(ccc1C(=O)O)F CM12767 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CM10965 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O CM12591 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.166 Cc1ccc(c(c1)F)C(=O)O CM10021 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.166 Cc1ccc(c(c1)N)C(=O)O CM12428 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.166 c1cc(c(cc1Br)Br)C(=O)N CM13171 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O CM12636 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.166 c1cc(c(cc1Br)F)C(=O)O CM12499 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.166 c1cc(c(cc1Br)N)C(=O)O CM12349 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.166 c1cc(c(cc1Br)O)C(=O)O CM12513 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O CM12458 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O CM12577 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N CM13164 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O CM12359 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O CM12585 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.166 c1cc(c(cc1F)Br)C(=O)O CM12488 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.166 c1cc(c(cc1F)F)C(=O)O CM12655 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.166 c1cc(c(cc1F)N)C(=O)O CM12396 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.166 c1cc(c(cc1F)O)C(=O)O CM10955 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.166 c1cc(c(cc1I)F)C(=O)O CM12733 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CM12361 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.166 c1cc(c(cc1N)F)C(=O)O CM12405 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.166 c1cc(c(cc1O)Cl)[N+](=O)[O-] CM11695 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] CM11771 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.166 c1cc(c(cc1O)I)C(=O)O CM10163 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.166 c1cc(c(cc1O)O)[N+](=O)[O-] CM10296 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.23 CCC(=O)c1cccc(c1)N CM11248 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.23 COC(=O)c1cccc(c1)I CM12817 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.23 COC(=O)c1cccc(c1)N CM12344 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.23 COC(=O)c1cccc(c1)O CM12802 [1,1,0,0,0,0|0,0,0]=2 339 B11R1.23 c1cc(cc(c1)O)C(=O)CBr CM11149 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br CM11177 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl CM11182 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F CM11162 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.74 CC(=O)c1cc(cc(c1)F)F CM11190 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CM12703 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.74 Cc1cc(cc(c1)N)C(=O)O CM12429 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.74 c1c(cc(cc1Br)I)C(=O)O CM12519 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O CM12463 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O CM12642 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O CM12587 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.74 c1c(cc(cc1F)Br)C(=O)O CM12495 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O CM12576 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.74 c1c(cc(cc1F)F)C(=O)Cl CM12665 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.74 c1c(cc(cc1F)F)C(=O)O CM12663 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] CM12662 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.74 c1c(cc(cc1F)I)C(=O)O CM12740 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.74 c1c(cc(cc1I)I)C(=O)O CM12694 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.74 c1c(cc(cc1N)F)C(=O)O CM12403 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.74 c1c(cc(cc1N)N)C(=O)O CM12634 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.74 c1c(cc(cc1O)Br)C(=O)O CM10203 [1,1,0,0,0,0|0,0,0]=2 360 B11R1.74 c1c(cc(cc1O)Br)[N+](=O)[O-] CM10189 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.74 c1c(cc(cc1O)I)C(=O)O CM10387 [1,1,0,0,0,0|0,0,0]=2 362 B11R1.159 CC(=O)c1cccc(c1Cl)Cl CM11179 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.159 CC(=O)c1cccc(c1F)Br CM11143 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.159 CC(=O)c1cccc(c1F)F CM10559 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.159 CC(=O)c1cccc(c1N)Br CM11120 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.159 Cc1c(cccc1Cl)C(=O)O CM12594 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.159 Cc1c(cccc1I)C(=O)O CM12823 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.159 Cc1cccc(c1Br)C(=O)O CM12530 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.159 Cc1cccc(c1C)C(=O)Cl CM12700 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.159 Cc1cccc(c1F)C(=O)O CM12758 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.159 Cc1cccc(c1I)C(=O)O CM12822 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.159 c1cc(c(c(c1)Br)Br)C(=O)O CM12635 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)Cl CM12494 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O CM12493 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O CM12347 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O CM12512 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.159 c1cc(c(c(c1)Cl)Br)C(=O)O CM10327 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O CM12640 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl CM12574 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O CM12573 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O CM12358 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O CM12584 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O CM12486 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O CM12572 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O CM12654 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O CM12738 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.159 c1cc(c(c(c1)F)N)C(=O)N CM13165 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O CM12394 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O CM12720 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O CM12731 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O CM12402 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O CM10231 [1,1,0,0,0,0|0,0,0]=2 393 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O CM12713 [1,1,0,0,0,0|0,0,0]=2 394 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O CM10894 [1,1,0,0,0,0|0,0,0]=2 395 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O CM10274 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.167 CC(=O)c1cc(ccc1Br)F CM10079 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.167 CC(=O)c1cc(ccc1Cl)F CM11159 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.167 CC(=O)c1cc(ccc1F)Br CM11147 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.167 CC(=O)c1cc(ccc1I)F CM11201 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.167 CC(=O)c1cc(ccc1O)Br CM14330 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.167 Cc1ccc(c(c1)C(=O)N)N CM13166 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br CM12531 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CM12701 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl CM12592 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.167 Cc1ccc(c(c1)C(=O)O)F CM12761 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.167 Cc1ccc(c(c1)C(=O)O)I CM12821 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.167 Cc1ccc(cc1C(=O)O)Br CM12537 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.167 Cc1ccc(cc1C(=O)O)F CM10930 [1,1,0,0,0,0|1,0,0]=3 409 B11R1.167 Cc1ccc(cc1C(=O)O)I CM12825 [1,1,0,0,0,0|1,0,0]=3 410 B11R1.167 Cc1ccc(cc1C(=O)O)N CM12431 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.167 Cc1ccc(cc1C(=O)O)O CM10889 [1,1,0,0,0,0|0,0,0]=2 412 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O CM11793 [1,1,0,0,0,0|1,0,1]=4 413 B11R1.167 c1cc(c(cc1Br)C(=O)O)F CM12504 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.167 c1cc(c(cc1Br)C(=O)O)I CM12521 [1,1,0,0,0,0|1,0,0]=3 415 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F CM12580 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.167 c1cc(c(cc1F)C(=O)O)F CM12658 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.167 c1cc(c(cc1F)C(=O)O)I CM12741 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.167 c1cc(c(cc1F)C(=O)O)N CM12398 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.167 c1cc(c(cc1F)C(=O)O)O CM12725 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.167 c1cc(c(cc1F)C(=O)[O-])F CM12657 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CM12515 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl CM12586 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.167 c1cc(c(cc1I)C(=O)O)F CM12735 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.167 c1cc(c(cc1I)C(=O)O)I CM12693 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.167 c1cc(c(cc1N)C(=O)O)F CM12408 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CM12583 [1,1,0,0,0,0|0,0,0]=2 427 B11R1.167 c1cc(c(cc1O)C(=O)O)F CM12716 [1,1,0,0,0,0|0,0,0]=2 428 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Cl CM11696 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F CM11773 [1,1,0,0,0,0|1,0,1]=4 430 B11R1.266 CC(=O)c1cccc(c1)C#N CM12899 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.266 COc1cc(ncn1)C(=O)O CM10693 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.266 COc1cncc(n1)C(=O)O CM10660 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N CM12615 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.266 c1cc(cc(c1)C(=O)O)C#N CM12613 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.266 c1cc(nc(c1)C(=O)N)CO CM13854 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.14 Cc1cc(cc(c1Br)C)C=O CM11836 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.14 c1c(cc(c(c1Cl)F)Cl)C=O CM11923 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.14 c1c(cc(c(c1F)Cl)Cl)C=O CM11922 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.14 c1c(cc(c(c1F)F)F)C=O CM12015 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.14 c1c(cc(c(c1I)O)I)C=O CM11939 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.14 c1c(cc(c(c1O)O)Br)C=O CM10333 [1,1,0,0,0,0|0,0,0]=2 442 B11R1.277 Cc1cc(c(cc1Br)F)C=O CM11849 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.277 Cc1cc(c(cc1C=O)F)Br CM11850 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.277 Cc1cc(c(cc1Cl)C)C=O CM11874 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.277 Cc1cc(c(cc1F)Br)C=O CM11846 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.277 Cc1cc(c(cc1F)C=O)Br CM11848 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.277 Cc1cc(c(cc1F)C=O)O CM10065 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.277 Cc1cc(c(cc1O)C)C=O CM10049 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.277 c1c(c(cc(c1Cl)F)F)C=O CM11871 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.277 c1c(c(cc(c1F)Br)F)C=O CM11834 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O CM11919 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O CM11869 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.277 c1c(c(cc(c1F)F)F)C=O CM12013 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.277 c1c(c(cc(c1F)F)O)C=O CM11935 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.277 c1c(c(cc(c1F)O)F)C=O CM10227 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.277 c1c(c(cc(c1O)Br)F)C=O CM10066 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.278 Cc1c(ccc(c1F)F)C=O CM11009 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.278 c1cc(c(c(c1C=O)F)F)Br CM11833 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.278 c1cc(c(c(c1C=O)F)F)F CM12010 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.278 c1cc(c(c(c1C=O)F)F)I CM11936 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.278 c1cc(c(c(c1C=O)F)O)F CM11934 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.279 COc1ccc(c(c1)O)OC CM10473 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.279 COc1ccc(cc1Cl)C=O CM10157 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.279 COc1ccc(cc1F)C=O CM11964 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.279 COc1ccc(cc1O)C=O CM13992 [1,1,0,0,0,0|0,0,0]=2 466 B11R1.279 Cc1cc(ccc1OC)C=O CM11999 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.280 CCc1cc(ccc1O)C=O CM10870 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.280 COc1cc(ccc1F)C=O CM11966 [1,1,0,0,0,0|1,0,0]=3 469 B11R1.280 COc1cc(ccc1F)CO CM13410 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.280 COc1cc(ccc1O)CN CM10042 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.280 c1cc(c(cc1C=O)C#N)F CM11913 [1,1,0,0,0,0|2,0,0]=4 472 B13R1.35 COc1ccc(cc1Br)CC(=O)O CM13661 [0,1,0,0,0,1|1,0,0]=3 473 B13R1.35 COc1ccc(cc1F)CC(=O)O CM13709 [0,1,0,0,0,1|1,0,0]=3 474 B13R1.52 COc1cc(ccc1F)CC(=O)O CM13710 [0,1,0,0,0,1|1,0,0]=3 475 B13R1.52 COc1cc(ccc1O)CC(=O)O CM13717 [0,1,0,0,0,1|0,0,0]=2 476 B13R1.52 c1cc(c(cc1CC(=O)O)C#N)F CM13685 [0,1,0,0,0,1|2,0,0]=4 477 B13R1.876 c1c(c(cc(c1F)F)F)CC(=O)O CM13737 [0,1,0,0,0,1|2,0,0]=4 478 B13R1.2879 COC(=O)Cc1ccc(c(c1)Cl)O CM13676 [0,1,0,0,0,1|1,0,0]=3 479 B13R1.120 c1cc(c(cc1C(=O)O)Br)C(=O)O CM13817 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.120 c1cc(c(cc1C(=O)O)F)[N+](=O)[O-] CM12783 [0,2,0,0,0,0|1,0,1]=4 481 B13R1.120 c1cc(c(cc1C(=O)O)I)C(=O)O CM13828 [0,2,0,0,0,0|1,0,0]=3 482 B13R1.120 c1cc(c(cc1C(=O)O)O)[N+](=O)[O-] CM12811 [0,2,0,0,0,0|0,0,1]=3 483 B13R1.120 c1cc(c(cc1[N+](=O)[O-])O)C(=O)O CM12809 [0,2,0,0,0,0|1,0,1]=4 484 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)C#N CM12559 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.3088 COC(=O)c1ccc(c(c1)F)C#N CM12622 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.3088 Cc1cc(ccc1C#N)C(=O)OC CM12629 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.3096 COc1ccc(c(c1F)F)C(=O)O CM12676 [0,2,0,0,0,0|1,0,0]=3 488 B13R1.3096 Cc1c(ccc(c1N)C(=O)C)OC CM11129 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.3380 COc1c(cc(cc1F)C(=O)O)F CM12680 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])Br CM12541 [0,2,0,0,0,0|1,0,1]=4 491 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O CM11247 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.49 COC(=O)c1ccc(c(c1)C#N)F CM12619 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.49 COc1cc(ccc1Br)C(=O)OC CM12523 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.49 Cc1ccc(cc1OC)C(=O)OC CM12831 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.651 CC(=O)c1cc(c(cc1N)F)OC CM11127 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.651 COc1cc(c(cc1F)Br)C(=O)O CM12505 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.651 COc1cc(c(cc1N)F)C(=O)O CM12409 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.651 Cc1cc(c(cc1OC)C(=O)O)F CM12755 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.3230 COc1c(ccc(c1Cl)C(=O)O)Cl CM12652 [0,2,0,0,0,0|1,0,0]=3 500 B13R1.3230 COc1c(ccc(c1F)C(=O)O)F CM12678 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.3230 COc1c(ccc(c1N)C(=O)O)O CM10294 [0,2,0,0,0,0|0,0,0]=2 502 B13R1.1807 COC(=O)c1cc(c(cc1Br)F)F CM12476 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.1807 COC(=O)c1cc(c(cc1F)F)F CM12878 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.1807 COC(=O)c1cc(c(cc1N)F)F CM12374 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.1807 COC(=O)c1cc(c(cc1O)Br)F CM12502 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.1807 Cc1cc(c(cc1N)C)C(=O)OC CM12388 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.1807 Cc1cc(c(cc1O)C(=O)OC)F CM12727 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.2811 Cc1c(c(cc(c1F)F)C(=O)O)F CM12851 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.2811 c1c(c(c(c(c1Br)N)F)F)C(=O)O CM12354 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.2811 c1c(c(c(c(c1F)Cl)Cl)Cl)C(=O)O CM12788 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.2811 c1c(c(c(c(c1F)F)Br)F)C(=O)O CM12545 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.2811 c1c(c(c(c(c1F)F)Cl)F)C(=O)O CM12602 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.2811 c1c(c(c(c(c1F)F)F)F)C(=O)O CM12867 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.2811 c1c(c(c(c(c1F)F)O)F)C(=O)O CM12813 [0,2,0,0,0,0|1,0,0]=3 515 B13R1.2812 Cc1c(c(cc(c1F)F)F)C(=O)O CM12850 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.2812 c1c(c(c(c(c1F)F)F)C(=O)O)F CM12868 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.1808 COC(=O)c1ccc(c(c1F)F)N CM12379 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.2678 Cc1c(cc(cc1F)C(=O)OC)N CM12411 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.2678 Cc1c(cc(cc1F)C(=O)OC)O CM12730 [0,2,0,0,0,0|1,0,0]=3 520 B13R1.2678 Cc1cc(cc(c1Br)C)C(=O)OC CM12484 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.2678 Cc1cc(cc(c1N)C)C(=O)OC CM12389 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.2678 Cc1cc(cc(c1N)Cl)C(=O)OC CM12364 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.3158 COc1c(ccc(c1F)F)C(=O)O CM12679 [0,2,0,0,0,0|2,0,0]=4 524 B13R2.430 c1cc(cc2c1cco2)C(=O)O CM10756 [0,1,0,1,0,0|1,0,0]=3 525 B13R2.430 c1cc(cc2c1ccs2)C(=O)O CM10726 [0,1,0,1,0,0|1,1,0]=4 526 B13R2.430 c1cc2c(cco2)cc1C(=O)O CM10755 [0,1,0,1,0,0|1,0,0]=3 527 B13R2.430 c1cc2c(ccs2)cc1C(=O)O CM10619 [0,1,0,1,0,0|1,1,0]=4 528 B9R1.35 Cn1ccc(c1)C(=O)O CM10465 [1,0,0,0,1,0|2,0,0]=4 529 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [1,0,0,0,0,1|2,0,0]=4 530 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [1,0,0,0,0,1|2,0,0]=4 531 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [1,0,0,0,0,1|2,0,0]=4 532 B11R1.20 c1cc(ccc1CC(=O)O)F CM13704 [1,0,0,0,0,1|1,0,0]=3 533 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] CM13921 [1,0,0,0,0,1|1,0,1]=4 534 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br CM13923 [1,0,0,0,0,1|1,0,1]=4 535 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [1,0,0,0,0,1|1,0,0]=3 536 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [1,0,0,0,0,1|1,0,0]=3 537 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [1,0,0,0,0,1|1,0,0]=3 538 B13R1.511 c1cc(c(cc1C=CC(=O)O)Br)F CM13576 [0,0,0,0,0,2|2,0,0]=4 539 B13R1.511 c1cc(c(cc1C=CC(=O)O)Cl)F CM13580 [0,0,0,0,0,2|2,0,0]=4