0 B10R1.3 CSc1ccc(cc1)CN CM13545 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.3 c1cc(ccc1CN)C#N CM12929 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.3 c1cc(ccc1CO)CBr CM13301 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.1 CCc1ccc(cc1)F CM10050 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.1 CCc1ccc(cn1)Br CM10444 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.1 CNc1ccc(cc1)I CM11495 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.1 COc1ccc(cc1)F CM11749 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.1 COc1ccc(nc1)Br CM10454 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.1 COc1cnc(nc1)Cl CM14296 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 COc1ncc(cn1)Br CM14291 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 Cc1ccc(nc1)C#N CM10108 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.1 c1cc(ccc1C#N)Cl CM12995 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.1 c1cc(ccc1C#N)I CM13127 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.1 c1cc(ccc1C=O)F CM11946 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.1 c1cc(ccc1C=O)I CM11996 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.1 c1cc(ccc1CCl)F CM13407 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.1 c1cc(ccc1CO)F CM13405 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.1 c1cc(ccc1CO)N CM13264 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.1 c1cc(ccc1NN)F CM13799 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.3 CN(C)c1ccc(cc1)OC CM11444 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.83 CCOc1ccc(cc1)CO CM13402 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.279 COc1ccc(c(c1)Br)C=O CM11856 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.279 COc1ccc(c(c1)Cl)C=O CM10194 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.279 COc1ccc(c(c1)F)C#N CM13080 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.279 COc1ccc(c(c1)F)C=O CM11960 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.279 COc1ccc(c(c1)F)CCl CM13409 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.279 COc1ccc(c(c1)F)NN CM13800 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.279 COc1ccc(c(c1)F)OC CM12240 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.279 COc1ccc(c(c1)I)C#N CM10164 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.279 COc1ccc(c(c1)O)OC CM10473 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.279 COc1ccc(c(n1)F)C=O CM10676 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.279 COc1ccc(cc1Br)C#N CM12980 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.279 COc1ccc(cc1Cl)C#N CM13017 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.279 COc1ccc(cc1Cl)C=O CM10157 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.279 COc1ccc(cc1F)C#N CM13083 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.279 COc1ccc(cc1F)C=O CM11964 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.279 COc1ccc(cc1O)C=O CM13992 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.279 Cc1cc(ccc1OC)C=O CM11999 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.2 COc1cccnc1 CM10357 [2,0,0,0,0,0|1,0,0]=3 39 B8R1.3 Cc1ccc(cn1)N CM14483 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.3 c1cc(ccc1Br)Br CM12170 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.3 c1cc(ccc1Br)I CM12101 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.3 c1cc(ccc1I)I CM12236 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.3 c1cc(ccc1O)F CM11750 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.1 Cc1ccc(cc1)CC#N CM13728 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.1 c1cc(ccc1CCBr)Cl CM13503 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.1 c1cc(ccc1CCBr)F CM13509 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.1 c1cc(ccc1CCCl)Cl CM13502 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.1 c1cc(ccc1CCO)Cl CM13495 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.1 c1cc(ccc1CCO)F CM13508 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.1 c1cc(ccc1CCO)O CM10966 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.13 CC(=C)c1ccc(cc1)O CM10479 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 CC(c1ccc(cc1)Cl)N CM13559 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.13 CN(C)c1ccc(cc1)Cl CM11355 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 CN(C)c1ccc(cc1)O CM10392 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.25 CCc1ccc(cc1Br)N CM10376 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.25 CCc1ccc(cc1Cl)N CM10383 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.25 COc1c(cc(cn1)Br)Br CM10171 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.25 COc1c(cc(cn1)Br)F CM10081 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.25 COc1ccc(cc1Br)F CM11629 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.25 COc1ccc(cc1Cl)F CM11675 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.25 COc1ccc(cc1F)Br CM11639 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.25 COc1ccc(cc1F)N CM11578 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.25 COc1ccc(cc1F)O CM10878 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.25 COc1ccc(cc1I)N CM11589 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.25 COc1ccc(cc1N)F CM10389 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.25 COc1ccc(cc1N)I CM11585 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.25 COc1cnc(nc1O)O CM14301 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.25 Cc1cc(ccc1C#N)O CM10086 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.25 Cc1cc(ccc1C=O)O CM11992 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.25 Cc1cc(ccc1CN)O CM10123 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.25 Cc1cc(ccc1OC)N CM11595 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.25 Cc1ccc(c(c1)Cl)NN CM13797 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.25 Cc1ccc(c(c1)Cl)OC CM10214 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.25 Cc1ccc(c(c1)F)C#N CM13088 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.25 Cc1ccc(c(c1)F)C=O CM11969 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.25 Cc1ccc(c(c1)N)C#N CM12931 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.25 c1cc(c(cc1O)Br)C=O CM10868 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.25 c1cc(c(cc1O)Cl)C#N CM13007 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.25 c1cc(c(cc1O)Cl)C=O CM10154 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.25 c1cc(c(cc1O)F)C#N CM13068 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.25 c1cc(c(cc1O)F)C=O CM11947 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.25 c1cc(c(cc1O)I)C=O CM10867 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.25 c1cc(c(cc1O)O)C#N CM14137 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.176 CCc1ccc(c(c1)N)O CM10378 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.176 CCc1ccc(c(c1)O)O CM10874 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.176 CNc1ccc(c(c1)Cl)Cl CM11409 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.176 COc1ccc(c(c1)Br)Br CM11710 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.176 COc1ccc(c(c1)Br)Cl CM11606 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.176 COc1ccc(c(c1)Br)F CM11635 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.176 COc1ccc(c(c1)Br)N CM11549 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.176 COc1ccc(c(c1)Br)O CM10826 [1,1,0,0,0,0|0,0,0]=2 97 B10R1.176 COc1ccc(c(c1)Cl)Br CM11609 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.176 COc1ccc(c(c1)Cl)I CM10120 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.176 COc1ccc(c(c1)Cl)N CM10924 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.176 COc1ccc(c(c1)F)Br CM11640 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.176 COc1ccc(c(c1)F)Cl CM11682 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.176 COc1ccc(c(c1)F)N CM11580 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.176 COc1ccc(c(c1)F)O CM10554 [1,1,0,0,0,0|0,0,0]=2 104 B10R1.176 COc1ccc(c(c1)I)Br CM11651 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.176 COc1ccc(c(c1)I)N CM11588 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.176 COc1ccc(c(c1)N)Cl CM11555 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.176 COc1ccc(c(c1)N)F CM11576 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.176 COc1ccc(c(c1)N)N CM11705 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.176 COc1ccc(c(c1)N)N CM11706 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.176 Cc1cc(ccc1Br)OC CM10191 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.176 Cc1cc(ccc1N)OC CM11596 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.176 Cc1cc(ccc1O)C=O CM11993 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.176 Cc1ccc(cc1Br)OC CM11656 [1,1,0,0,0,0|0,0,0]=2 114 B10R1.176 Cc1ccc(cc1C)C=O CM11941 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.176 Cc1ccc(cc1Cl)CN CM13525 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.176 Cc1ccc(cc1F)C#N CM13092 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.176 Cc1ccc(cc1F)C=O CM11972 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.176 Cc1ccc(cc1F)OC CM11761 [1,1,0,0,0,0|0,0,0]=2 119 B10R1.176 Cc1ccc(cc1N)OC CM11592 [1,1,0,0,0,0|0,0,0]=2 120 B10R1.176 c1cc(c(cc1C#N)Br)O CM12978 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.176 c1cc(c(cc1C#N)Cl)O CM13010 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.176 c1cc(c(cc1C#N)F)O CM13070 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.176 c1cc(c(cc1C=O)Br)O CM11852 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.176 c1cc(c(cc1C=O)F)O CM11950 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.176 c1cc(c(cc1C=O)O)O CM13991 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.5 CCc1ccc(cc1)C(=O)CC CM11251 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.6 COc1ccc(cc1)C(F)(F)F CM11810 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O CM13571 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.48 CC(=O)c1ccc(c(c1)F)OC CM11203 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.48 COc1ccc(cc1F)C(=O)Cl CM12751 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.48 COc1ccc(cc1F)C(=O)O CM12750 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] CM11783 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] CM11600 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] CM11789 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.113 CCOc1ccc(cc1)C(=O)O CM12707 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.452 CC(=O)c1ccc(cc1F)OC CM11202 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl CM12745 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.452 COc1ccc(c(c1)F)C(=O)O CM12744 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] CM11769 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] CM11785 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.452 COc1ccc(c(c1)N)C(=O)O CM12421 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] CM11786 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])OC CM11787 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.4 CCc1ccc(cc1)CC(=O)C CM11252 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.116 CCOc1ccc(cc1)CC#N CM13699 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.78 COc1ccc(c(c1)C#N)C=O CM10827 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.78 COc1ccc(cc1OC)C=O CM13990 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.78 COc1ccc(cc1OC)CCl CM10937 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.78 COc1ccc(cc1OC)CO CM13395 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.301 COc1cc(c(c(c1)Cl)C#N)Cl CM13034 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.301 COc1cc(c(c(c1)Cl)C=O)Cl CM11926 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.301 COc1cc(c(c(c1)F)C#N)F CM13049 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.301 COc1cc(c(c(c1)F)C=O)F CM11938 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.301 Cc1cc(cc(c1OC)C)C#N CM13061 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.653 COc1ccc(c(c1Br)Br)OC CM12183 [0,2,0,0,0,0|0,0,0]=2 156 B12R1.653 COc1ccc(c(c1O)Cl)C=O CM11887 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.2 Cc1cccc(c1C)OC CM11740 [0,0,1,1,0,0|1,0,1]=4 158 B10R1.172 COc1cccc(c1)CCl CM10947 [0,0,0,0,1,1|2,0,0]=4 159 B10R1.172 COc1ccnc(c1)C=O CM10390 [0,0,0,0,1,1|2,0,0]=4 160 B10R1.172 COc1ccnc(c1)CN CM10131 [0,0,0,0,1,1|2,0,0]=4