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|1,1,0]=2 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|2,0,1]=3 8 B12R2.612 c1cc2c(cc1Cl)onc2O CM13873 [0,0,0,0,0,0|1,0,0]=1 9 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,0,0,0,0,0|2,1,1]=4 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|1,0,0]=2 23 B11R2.36 c1c2cn[nH]c2cnc1Cl CM10808 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.36 c1c[nH]c2c1ncc(c2)Br CM14253 [1,0,0,0,0,0|2,1,0]=4 25 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [1,0,0,0,0,0|1,1,0]=3 26 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [1,0,0,0,0,0|2,1,0]=4 27 B11R2.36 c1cc(cc2c1cco2)O CM10757 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.36 c1cc(cc2c1ccs2)Br CM10504 [1,0,0,0,0,0|2,1,0]=4 29 B11R2.36 c1cc(nc2c1cn[nH]2)Cl CM10821 [1,0,0,0,0,0|1,0,0]=2 30 B11R2.36 c1cc2c(cc1Cl)CNC2 CM10601 [1,0,0,0,0,0|1,0,2]=4 31 B11R2.36 c1cc2c(cc1I)cn[nH]2 CM10802 [1,0,0,0,0,0|2,1,0]=4 32 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O CM14357 [0,1,0,0,0,0|1,1,1]=4 34 B11R1.22 c1cc(ccc1C(=NO)N)F CM12026 [0,0,1,0,0,0|2,1,0]=4 35 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CM11135 [0,0,1,0,0,0|2,0,1]=4 36 B11R1.22 c1cc(ccc1C(=O)CN)Br CM11121 [0,0,1,0,0,0|1,1,1]=4 37 B11R1.22 c1cc(ccc1C(=O)NN)Cl CM13812 [0,0,1,0,0,0|0,0,2]=3 38 B11R1.37 COc1cc(ccc1C=O)Cl CM11892 [0,0,1,0,0,0|2,0,1]=4 39 B11R1.166 B(c1ccc(cc1F)Cl)(O)O CM13564 [0,0,1,0,0,0|3,0,0]=4 40 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl CM11180 [0,0,1,0,0,0|2,0,1]=4 41 B11R1.166 CC(=O)c1ccc(cc1F)Cl CM11163 [0,0,1,0,0,0|2,0,1]=4 42 B11R1.166 CC(=O)c1ccc(cc1N)F CM10552 [0,0,1,0,0,0|1,1,1]=4 43 B11R1.166 CC(=O)c1ccc(cc1O)Cl CM14015 [0,0,1,0,0,0|2,0,1]=4 44 B11R1.166 Cc1cc(ccc1C(=O)O)F CM12767 [0,0,1,0,0,0|2,1,0]=4 45 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CM10965 [0,0,1,0,0,0|3,0,0]=4 46 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O CM12591 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.166 Cc1ccc(c(c1)F)C(=O)O CM10021 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.166 Cc1ccc(c(c1)N)C(=O)O CM12428 [0,0,1,0,0,0|2,0,0]=3 49 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O CM12636 [0,0,1,0,0,0|2,1,0]=4 50 B11R1.166 c1cc(c(cc1Br)F)C(=O)O CM12499 [0,0,1,0,0,0|2,1,0]=4 51 B11R1.166 c1cc(c(cc1Br)N)C(=O)O CM12349 [0,0,1,0,0,0|1,1,0]=3 52 B11R1.166 c1cc(c(cc1Br)O)C(=O)O CM12513 [0,0,1,0,0,0|2,1,0]=4 53 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O CM12458 [0,0,1,0,0,0|2,0,0]=3 54 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O CM12577 [0,0,1,0,0,0|2,0,0]=3 55 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N CM13164 [0,0,1,0,0,0|0,0,2]=3 56 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O CM12359 [0,0,1,0,0,0|1,0,0]=2 57 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] CM11382 [0,0,1,0,0,0|2,0,1]=4 58 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O CM12585 [0,0,1,0,0,0|2,0,0]=3 59 B11R1.166 c1cc(c(cc1F)Br)C(=O)O CM12488 [0,0,1,0,0,0|2,1,0]=4 60 B11R1.166 c1cc(c(cc1F)F)C(=O)O CM12655 [0,0,1,0,0,0|2,1,0]=4 61 B11R1.166 c1cc(c(cc1F)N)C(=O)O CM12396 [0,0,1,0,0,0|1,1,0]=3 62 B11R1.166 c1cc(c(cc1F)O)C(=O)O CM10955 [0,0,1,0,0,0|2,1,0]=4 63 B11R1.166 c1cc(c(cc1I)F)C(=O)O CM12733 [0,0,1,0,0,0|2,1,0]=4 64 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CM12361 [0,0,1,0,0,0|3,0,0]=4 65 B11R1.166 c1cc(c(cc1N)F)C(=O)O CM12405 [0,0,1,0,0,0|3,0,0]=4 66 B11R1.166 c1cc(c(cc1O)I)C(=O)O CM10163 [0,0,1,0,0,0|3,0,0]=4 67 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O CM10628 [0,0,0,0,0,1|2,0,0]=3 68 B13R2.3683 c1cc(cc2c1cc(cc2)F)O CM10502 [0,0,0,0,0,1|2,1,0]=4 69 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [1,0,1,0,0,0|1,0,1]=4 70 B10R1.13 CC(c1ccc(cc1)Cl)N CM13559 [1,0,1,0,0,0|1,0,1]=4 71 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [1,0,1,0,0,0|1,0,1]=4 72 B10R1.13 c1cc(ccc1C(=O)N)F CM13176 [1,0,1,0,0,0|0,1,1]=4 73 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [1,0,1,0,0,0|1,1,0]=4 74 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [1,0,1,0,0,0|1,1,0]=4 75 B10R1.25 c1cc(c(cc1Cl)F)C=O CM11881 [1,0,1,0,0,0|1,0,1]=4 76 B10R1.25 c1cc(c(cc1Cl)O)C=O CM11886 [1,0,1,0,0,0|1,0,1]=4 77 B10R1.25 c1cc(c(cc1F)N)C=O CM11825 [1,0,1,0,0,0|0,1,1]=4 78 B10R1.30 c1cc(c(cc1Cl)NN)F CM13796 [1,0,1,0,0,0|1,0,1]=4 79 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [1,0,1,0,0,0|2,0,0]=4 80 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [1,0,1,0,0,0|2,0,0]=4 81 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [2,0,0,0,0,0|2,0,0]=4 82 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [2,0,0,0,0,0|2,0,0]=4 83 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [2,0,0,0,0,0|2,0,0]=4 84 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [2,0,0,0,0,0|2,0,0]=4 85 B10R2.7 c1cc2cn[nH]c2nc1 CM10820 [2,0,0,0,0,0|1,0,0]=3 86 B12R1.232 Cc1cc(c(cc1C)N)C(=O)O CM12386 [0,1,1,0,0,0|2,0,0]=4 87 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O CM12366 [0,1,1,0,0,0|1,1,0]=4 88 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O CM12468 [0,1,1,0,0,0|2,0,0]=4 89 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O CM12368 [0,1,1,0,0,0|1,0,0]=3 90 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O CM12644 [0,1,1,0,0,0|2,0,0]=4 91 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O CM12568 [0,1,1,0,0,0|2,0,0]=4 92 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O CM12375 [0,1,1,0,0,0|1,1,0]=4 93 B12R1.232 c1c(c(cc(c1N)Cl)Cl)C(=O)O CM12371 [0,1,1,0,0,0|2,0,0]=4 94 B12R1.452 COc1ccc(c(c1)N)C(=O)O CM12421 [0,1,1,0,0,0|2,0,0]=4 95 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O CM12384 [0,1,1,0,0,0|2,0,0]=4 96 B12R1.893 c1cc(c(c(c1C(=O)O)N)F)F CM12372 [0,1,1,0,0,0|1,1,0]=4 97 B12R1.1000 c1c(cc(c(c1F)C(=O)O)Cl)Cl CM12646 [0,1,1,0,0,0|2,0,0]=4 98 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F CM12376 [0,1,1,0,0,0|1,1,0]=4 99 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 CM10169 [1,1,0,0,0,0|0,0,2]=4 100 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br CM10787 [1,1,0,0,0,0|1,0,0]=3 101 B12R2.132 Cc1c2cc(ccc2[nH]n1)F CM10795 [1,1,0,0,0,0|1,0,0]=3 102 B12R2.132 Cc1c2cc(ccc2[nH]n1)I CM10793 [1,1,0,0,0,0|1,0,0]=3 103 B12R2.196 Cc1c2cccc(c2[nH]n1)Br CM10790 [1,1,0,0,0,0|1,0,0]=3 104 B12R2.196 Cc1c2cccc(c2[nH]n1)F CM10786 [1,1,0,0,0,0|1,0,0]=3 105 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 CM10789 [1,1,0,0,0,0|1,0,0]=3 106 B12R2.203 Cc1c2c(cccc2F)[nH]n1 CM10794 [1,1,0,0,0,0|1,0,0]=3 107 B12R2.203 Cc1c2c(cccc2[nH]n1)N CM10819 [1,1,0,0,0,0|1,0,0]=3 108 B12R2.203 c1cnc(c2c1[nH]nc2I)Cl CM10823 [1,1,0,0,0,0|2,0,0]=4 109 B12R2.2028 Cn1cc(c2c1cccc2)Br CM10604 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.44 c1cc(cc2c1cc[nH]2)C#N CM14079 [1,1,0,0,0,0|2,0,0]=4 111 B12R2.82 c1cc(c(c2c1cn[nH]2)Cl)Cl CM10803 [1,1,0,0,0,0|0,0,0]=2 112 B12R2.82 c1cc(c(c2c1cn[nH]2)Cl)N CM10800 [1,1,0,0,0,0|1,0,0]=3 113 B12R2.100 c1c2cn[nH]c2cc(c1F)O CM10801 [1,1,0,0,0,0|1,0,0]=3 114 B12R2.246 c1c(cc(c2c1[nH]nc2)F)Br CM10806 [1,1,0,0,0,0|0,1,0]=3 115 B12R2.246 c1c(cc(c2c1[nH]nc2)O)Cl CM10816 [1,1,0,0,0,0|0,0,0]=2 116 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F CM13599 [1,1,0,0,0,0|1,1,0]=4 117 B12R2.606 Cc1cc2ccc(cc2[nH]1)F CM13613 [1,1,0,0,0,0|1,1,0]=4 118 B14R2.29365 c1cc2c(cc1Br)nc(nc2O)N CM10365 [0,1,0,0,0,1|0,1,1]=4 119 B12R2.24 c1cc2c(cc1Cl)NCCO2 CM10578 [0,0,1,1,0,0|1,0,1]=4 120 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O CM13670 [0,0,1,0,0,1|2,0,0]=4