0 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br CM10788 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.612 Cc1c2ccc(cc2[nH]n1)F CM10796 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.612 Cn1c2ccc(cc2cn1)Br CM10482 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.612 Cn1c2ccc(cc2nn1)Br CM10633 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 c1cc2c(cc1Br)CCC2=O CM14359 [0,0,0,0,0,0|2,1,1]=4 5 B12R2.612 c1cc2c(cc1Br)OCC2=O CM10487 [0,0,0,0,0,0|2,1,1]=4 6 B12R2.612 c1cc2c(cc1Br)onc2Cl CM10126 [0,0,0,0,0,0|2,1,0]=3 7 B12R2.612 c1cc2c(cc1Cl)OCC2=O CM10772 [0,0,0,0,0,0|2,1,1]=4 8 B12R2.612 c1cc2c(cc1Cl)onc2O CM13873 [0,0,0,0,0,0|1,1,0]=2 9 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.612 c1cc2c(cc1O)OCC2=O CM10744 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [1,0,0,0,0,0|1,0,0]=2 12 B11R2.1 Cn1c2ccccc2nn1 CM11059 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.1 c1cc2c(n[nH]c2nc1)N CM10550 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [1,0,0,0,0,0|1,0,2]=4 15 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [1,0,0,0,0,0|0,0,2]=3 16 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br CM10098 [1,0,0,0,0,0|1,0,0]=2 18 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [1,0,0,0,0,0|2,0,0]=3 19 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [1,0,0,0,0,0|1,0,0]=2 20 B11R2.36 Cc1ccc2ccsc2c1 CM10722 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.36 c1c2c(cnc1Br)cn[nH]2 CM10811 [1,0,0,0,0,0|1,1,0]=3 22 B11R2.36 c1c2c(cnc1Cl)cn[nH]2 CM10810 [1,0,0,0,0,0|1,1,0]=3 23 B11R2.36 c1c[nH]c2c1ncc(c2)Br CM14253 [1,0,0,0,0,0|2,1,0]=4 24 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [1,0,0,0,0,0|1,0,0]=2 25 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [1,0,0,0,0,0|2,1,0]=4 26 B11R2.36 c1cc(cc2c1cco2)O CM10757 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 c1cc(cc2c1ccs2)Br CM10504 [1,0,0,0,0,0|2,1,0]=4 28 B11R2.36 c1cc(nc2c1cn[nH]2)Cl CM10821 [1,0,0,0,0,0|1,1,0]=3 29 B11R2.36 c1cc2c(cc1I)cn[nH]2 CM10802 [1,0,0,0,0,0|2,1,0]=4 30 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.36 c1cc2c(cco2)cc1F CM10741 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O CM13827 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O CM14357 [0,1,0,0,0,0|1,1,1]=4 34 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 CM10077 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 c1cc(ccc1C(=NO)N)F CM12026 [0,0,1,0,0,0|2,0,0]=3 36 B11R1.22 c1cc(ccc1C(=O)CBr)F CM11141 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.22 c1cc(ccc1C(=O)CN)Br CM11121 [0,0,1,0,0,0|1,1,1]=4 38 B11R1.22 c1cc(ccc1C(=O)NN)Cl CM13812 [0,0,1,0,0,0|0,1,2]=4 39 B11R1.37 COc1cc(ccc1C=O)F CM11965 [0,0,1,0,0,0|2,0,1]=4 40 B11R1.166 CC(=O)c1ccc(cc1Cl)F CM11158 [0,0,1,0,0,0|2,0,1]=4 41 B11R1.166 CC(=O)c1ccc(cc1N)F CM10552 [0,0,1,0,0,0|1,0,1]=3 42 B11R1.166 CC(=O)c1ccc(cc1O)F CM14014 [0,0,1,0,0,0|2,0,1]=4 43 B11R1.166 Cc1cc(ccc1C(=O)O)F CM12767 [0,0,1,0,0,0|2,0,0]=3 44 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CM10965 [0,0,1,0,0,0|3,0,0]=4 45 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O CM12591 [0,0,1,0,0,0|3,0,0]=4 46 B11R1.166 Cc1ccc(c(c1)F)C(=O)O CM10021 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.166 Cc1ccc(c(c1)N)C(=O)O CM12428 [0,0,1,0,0,0|2,0,0]=3 48 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O CM12636 [0,0,1,0,0,0|2,1,0]=4 49 B11R1.166 c1cc(c(cc1Br)F)C(=O)O CM12499 [0,0,1,0,0,0|2,1,0]=4 50 B11R1.166 c1cc(c(cc1Br)N)C(=O)O CM12349 [0,0,1,0,0,0|1,1,0]=3 51 B11R1.166 c1cc(c(cc1Br)O)C(=O)O CM12513 [0,0,1,0,0,0|2,1,0]=4 52 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O CM12458 [0,0,1,0,0,0|2,1,0]=4 53 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O CM12577 [0,0,1,0,0,0|2,1,0]=4 54 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N CM13164 [0,0,1,0,0,0|0,1,2]=4 55 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O CM12359 [0,0,1,0,0,0|1,1,0]=3 56 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O CM12585 [0,0,1,0,0,0|2,1,0]=4 57 B11R1.166 c1cc(c(cc1F)Br)C(=O)O CM12488 [0,0,1,0,0,0|2,0,0]=3 58 B11R1.166 c1cc(c(cc1F)F)C(=O)O CM12655 [0,0,1,0,0,0|2,0,0]=3 59 B11R1.166 c1cc(c(cc1F)N)C(=O)O CM12396 [0,0,1,0,0,0|1,0,0]=2 60 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] CM11481 [0,0,1,0,0,0|2,0,1]=4 61 B11R1.166 c1cc(c(cc1F)O)C(=O)O CM10955 [0,0,1,0,0,0|2,0,0]=3 62 B11R1.166 c1cc(c(cc1I)F)C(=O)O CM12733 [0,0,1,0,0,0|2,1,0]=4 63 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CM12361 [0,0,1,0,0,0|3,0,0]=4 64 B11R1.166 c1cc(c(cc1N)F)C(=O)O CM12405 [0,0,1,0,0,0|3,0,0]=4 65 B11R1.166 c1cc(c(cc1O)I)C(=O)O CM10163 [0,0,1,0,0,0|3,0,0]=4 66 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O CM10628 [0,0,0,0,0,1|2,1,0]=4 67 B13R2.3683 c1cc(cc2c1cc(cc2)F)N CM10501 [0,0,0,0,0,1|3,0,0]=4 68 B13R2.3683 c1cc(cc2c1cc(cc2)F)O CM10502 [0,0,0,0,0,1|2,0,0]=3 69 B13R2.3683 c1cc2c(cc1F)CCC(=O)N2 CM10631 [0,0,0,0,0,1|2,0,1]=4 70 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 CM10308 [0,0,0,0,0,1|2,0,1]=4 71 B10R1.13 B(c1ccc(cc1)F)(O)O CM13569 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [1,0,1,0,0,0|1,0,1]=4 73 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [1,0,1,0,0,0|1,0,1]=4 74 B10R1.13 c1cc(ccc1C(=O)Cl)F CM12712 [1,0,1,0,0,0|1,0,1]=4 75 B10R1.13 c1cc(ccc1C(=O)N)F CM13176 [1,0,1,0,0,0|0,0,1]=3 76 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [1,0,1,0,0,0|1,0,0]=3 77 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [1,0,1,0,0,0|1,1,0]=4 78 B10R1.13 c1cc(ncc1F)C(=O)O CM14030 [1,0,1,0,0,0|2,0,0]=4 79 B10R1.10 c1cc(cc(c1)F)CCO CM13507 [1,0,1,0,0,0|1,0,1]=4 80 B10R1.25 COc1ccc(cc1N)F CM10389 [1,0,1,0,0,0|2,0,0]=4 81 B10R1.25 Cc1cc(ccc1C=O)F CM11974 [1,0,1,0,0,0|1,0,1]=4 82 B10R1.25 c1cc(c(cc1F)Br)C=O CM11837 [1,0,1,0,0,0|1,0,1]=4 83 B10R1.25 c1cc(c(cc1F)Cl)C=O CM11876 [1,0,1,0,0,0|1,0,1]=4 84 B10R1.25 c1cc(c(cc1F)F)C=O CM11929 [1,0,1,0,0,0|1,0,1]=4 85 B10R1.25 c1cc(c(cc1F)F)CO CM13356 [1,0,1,0,0,0|1,0,1]=4 86 B10R1.25 c1cc(c(cc1F)N)C=O CM11825 [1,0,1,0,0,0|0,0,1]=3 87 B10R1.25 c1cc(c(cc1F)O)C=O CM11951 [1,0,1,0,0,0|1,0,1]=4 88 B10R1.30 Cc1ccc(cc1NN)F CM13802 [1,0,1,0,0,0|0,0,2]=4 89 B10R1.30 c1cc(c(cc1F)C=O)O CM11952 [1,0,1,0,0,0|2,0,0]=4 90 B10R1.30 c1cc(c(cc1F)NN)Cl CM13794 [1,0,1,0,0,0|1,0,1]=4 91 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [1,0,1,0,0,0|2,0,0]=4 92 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [1,0,1,0,0,0|2,0,0]=4 93 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [2,0,0,0,0,0|2,0,0]=4 94 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [2,0,0,0,0,0|2,0,0]=4 95 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [2,0,0,0,0,0|2,0,0]=4 96 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [2,0,0,0,0,0|2,0,0]=4 97 B10R2.7 c1cc2cn[nH]c2nc1 CM10820 [2,0,0,0,0,0|1,0,0]=3 98 B12R1.57 COc1cc(ccc1C(=O)O)F CM12752 [0,1,1,0,0,0|2,0,0]=4 99 B12R1.232 Cc1cc(c(cc1C)N)C(=O)O CM12386 [0,1,1,0,0,0|2,0,0]=4 100 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O CM12506 [0,1,1,0,0,0|2,0,0]=4 101 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O CM12366 [0,1,1,0,0,0|1,1,0]=4 102 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O CM12368 [0,1,1,0,0,0|1,1,0]=4 103 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O CM12570 [0,1,1,0,0,0|2,0,0]=4 104 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O CM12477 [0,1,1,0,0,0|2,0,0]=4 105 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O CM12562 [0,1,1,0,0,0|2,0,0]=4 106 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O CM12880 [0,1,1,0,0,0|2,0,0]=4 107 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O CM12375 [0,1,1,0,0,0|1,0,0]=3 108 B12R1.452 COc1ccc(c(c1)N)C(=O)O CM12421 [0,1,1,0,0,0|2,0,0]=4 109 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O CM12384 [0,1,1,0,0,0|2,0,0]=4 110 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F CM12473 [0,1,1,0,0,0|2,0,0]=4 111 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F CM12643 [0,1,1,0,0,0|2,0,0]=4 112 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F CM12565 [0,1,1,0,0,0|2,0,0]=4 113 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F CM12872 [0,1,1,0,0,0|2,0,0]=4 114 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F CM12670 [0,1,1,0,0,0|2,0,0]=4 115 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)F CM12372 [0,1,1,0,0,0|1,0,0]=3 116 B12R1.893 c1cc(c(c(c1C(=O)O)O)F)F CM12673 [0,1,1,0,0,0|2,0,0]=4 117 B12R1.1000 Cc1cc(cc(c1C(=O)O)Br)F CM12507 [0,1,1,0,0,0|2,0,0]=4 118 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)F CM12704 [0,1,1,0,0,0|2,0,0]=4 119 B12R1.1000 c1c(cc(c(c1F)C(=O)O)Cl)F CM12564 [0,1,1,0,0,0|2,0,0]=4 120 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F CM12882 [0,1,1,0,0,0|2,0,0]=4 121 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F CM12376 [0,1,1,0,0,0|1,0,0]=3 122 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 CM10169 [1,1,0,0,0,0|0,0,2]=4 123 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br CM10787 [1,1,0,0,0,0|1,0,0]=3 124 B12R2.132 Cc1c2cc(ccc2[nH]n1)F CM10795 [1,1,0,0,0,0|1,0,0]=3 125 B12R2.132 Cc1c2cc(ccc2[nH]n1)I CM10793 [1,1,0,0,0,0|1,0,0]=3 126 B12R2.196 Cc1c2cccc(c2[nH]n1)Br CM10790 [1,1,0,0,0,0|1,0,0]=3 127 B12R2.196 Cc1c2cccc(c2[nH]n1)F CM10786 [1,1,0,0,0,0|1,0,0]=3 128 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 CM10789 [1,1,0,0,0,0|1,0,0]=3 129 B12R2.203 Cc1c2c(cccc2F)[nH]n1 CM10794 [1,1,0,0,0,0|1,0,0]=3 130 B12R2.203 Cc1c2c(cccc2[nH]n1)N CM10819 [1,1,0,0,0,0|1,0,0]=3 131 B12R2.203 c1cnc(c2c1[nH]nc2I)Cl CM10823 [1,1,0,0,0,0|2,0,0]=4 132 B12R2.2028 Cn1cc(c2c1cccc2)Br CM10604 [1,1,0,0,0,0|2,0,0]=4 133 B12R2.44 c1cc(cc2c1cc[nH]2)C#N CM14079 [1,1,0,0,0,0|2,0,0]=4 134 B12R2.82 c1cc(c(c2c1[nH]nc2)Br)F CM10805 [1,1,0,0,0,0|2,0,0]=4 135 B12R2.82 c1cc(c(c2c1cco2)Br)F CM10735 [1,1,0,0,0,0|2,0,0]=4 136 B12R2.82 c1cc(c(c2c1cn[nH]2)Cl)Cl CM10803 [1,1,0,0,0,0|0,1,0]=3 137 B12R2.82 c1cc(c(c2c1cn[nH]2)Cl)N CM10800 [1,1,0,0,0,0|1,0,0]=3 138 B12R2.100 c1c2cn[nH]c2cc(c1F)O CM10801 [1,1,0,0,0,0|1,0,0]=3 139 B12R2.246 c1c(cc(c2c1[nH]nc2)F)Br CM10806 [1,1,0,0,0,0|0,1,0]=3 140 B12R2.246 c1c(cc(c2c1[nH]nc2)O)Cl CM10816 [1,1,0,0,0,0|0,1,0]=3 141 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F CM13599 [1,1,0,0,0,0|1,0,0]=3 142 B12R2.606 Cc1cc2ccc(cc2[nH]1)F CM13613 [1,1,0,0,0,0|1,0,0]=3 143 B12R2.606 c1cc2c(cc1F)NC(=O)C2 CM14302 [1,1,0,0,0,0|1,0,1]=4 144 B14R2.29365 c1cc2c(cc1Br)nc(nc2O)N CM10365 [0,1,0,0,0,1|0,1,1]=4 145 B14R2.1815 c1cc2c(cc1CF)NC(=O)C2=O CM14310 [0,2,0,0,0,0|1,0,1]=4 146 B14R2.645 c1c2c(cc(c1F)F)NC(=O)C2=O CM14319 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.233 c1cc(c(cc1F)F)CC(=O)O CM13690 [0,0,1,0,0,1|2,0,0]=4