0 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 CM10169 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 Cn1c2ccccc2oc1=O CM14408 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [1,0,0,0,0,0|2,0,0]=3 3 B11R2.1 Cn1c2ccccc2nn1 CM11059 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [1,0,0,0,0,0|1,0,0]=2 7 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br CM10098 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [1,0,0,0,0,0|2,0,0]=3 9 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [1,0,0,0,0,0|2,0,0]=3 10 B11R2.10 Cc1cn2ccccc2n1 CM10614 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.135 Cc1c(n2ccccc2n1)C=O CM10613 [0,1,0,0,0,0|2,0,1]=4 12 B13R2.3028 Cc1c(n2cc(ccc2n1)Br)C CM10615 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 CM13627 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O CM14323 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O CM14312 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 CM14355 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O CM14357 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.41 CCOc1ccccc1OC CM11747 [0,0,1,0,0,0|1,0,1]=3 19 B11R1.222 CCC(C)c1ccccc1N CM11342 [0,0,1,0,0,0|1,0,2]=4 20 B13R2.32 c1ccc2c(c1)ccc(c2O)Br CM11054 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.32 c1ccc2c(c1)cnc(c2Br)N CM10321 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.328 Cc1cc2ccccc2c(n1)O CM10269 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.328 c1ccc2c(c1)c(=O)cc([nH]2)N CM10363 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N CM10156 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br CM10588 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl CM10367 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl CM14418 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.328 c1ccc2c(c1)c(nc(n2)N)O CM10369 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O CM14472 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl CM13920 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.15 CCC(C)c1ccccc1 CM12120 [1,0,1,0,0,0|0,0,2]=4 32 B10R1.20 COc1ccccc1CCl CM13440 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.20 COc1ccccc1NN CM13803 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.61 CC(=O)c1ccccc1Br CM11134 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.61 CC(=O)c1ccccc1I CM11218 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.61 CC(C)c1ccccc1Br CM12111 [1,0,1,0,0,0|1,0,1]=4 37 B10R1.61 CN(C)c1ccccc1F CM11439 [1,0,1,0,0,0|2,0,0]=4 38 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [2,0,0,0,0,0|2,0,0]=4 39 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [2,0,0,0,0,0|2,0,0]=4 40 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [2,0,0,0,0,0|2,0,0]=4 41 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [2,0,0,0,0,0|2,0,0]=4 42 B10R2.7 c1ccn2cccc2c1 CM10848 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.24 COC(=O)c1cccc(c1O)Br CM12511 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.24 COC(=O)c1cccc(c1O)F CM12719 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.1703 COC(=O)c1ccc(cc1O)F CM12722 [0,1,1,0,0,0|2,0,0]=4 46 B12R1.3441 COC(=O)c1c(cccc1F)O CM12717 [0,1,1,0,0,0|2,0,0]=4 47 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br CM10787 [1,1,0,0,0,0|2,0,0]=4 48 B12R2.132 Cc1c2cc(ccc2[nH]n1)F CM10795 [1,1,0,0,0,0|2,0,0]=4 49 B12R2.132 Cc1c2cc(ccc2[nH]n1)I CM10793 [1,1,0,0,0,0|2,0,0]=4 50 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10486 [1,1,0,0,0,0|1,0,1]=4 51 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10771 [1,1,0,0,0,0|1,0,1]=4 52 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 CM10770 [1,1,0,0,0,0|1,0,1]=4 53 B12R2.196 Cc1c2cccc(c2[nH]n1)Br CM10790 [1,1,0,0,0,0|2,0,0]=4 54 B12R2.196 Cc1c2cccc(c2[nH]n1)F CM10786 [1,1,0,0,0,0|2,0,0]=4 55 B12R2.196 Cn1cnc2c1cccc2Br CM13870 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.203 Cc1c2c(cccc2Br)[nH]n1 CM10789 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.203 Cc1c2c(cccc2F)[nH]n1 CM10794 [1,1,0,0,0,0|2,0,0]=4 58 B12R2.203 Cc1c2c(cccc2[nH]n1)N CM10819 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.612 Cc1c2ccc(cc2[nH]n1)Br CM10788 [1,1,0,0,0,0|2,0,0]=4 60 B12R2.612 Cc1c2ccc(cc2[nH]n1)F CM10796 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.612 Cn1cnc2c1ccc(c2)Br CM10910 [1,1,0,0,0,0|2,0,0]=4 62 B12R2.612 c1cc2c(cc1Br)OCC2=O CM10487 [1,1,0,0,0,0|1,0,1]=4 63 B12R2.612 c1cc2c(cc1Br)onc2Cl CM10126 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.612 c1cc2c(cc1Cl)OCC2=O CM10772 [1,1,0,0,0,0|1,0,1]=4 65 B12R2.612 c1cc2c(cc1Cl)onc2O CM13873 [1,1,0,0,0,0|2,0,0]=4 66 B12R2.612 c1cc2c(cc1O)OCC2=O CM10744 [1,1,0,0,0,0|1,0,1]=4 67 B12R2.2028 Cn1cc(c2c1cccc2)Br CM10604 [1,1,0,0,0,0|2,0,0]=4 68 B12R2.32 c1ccc2c(c1)nc(s2)CCl CM14325 [1,1,0,0,0,0|1,1,0]=4 69 B12R2.202 Cc1cn2c(n1)cccc2Br CM10609 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br CM13592 [1,1,0,0,0,0|1,0,0]=3 71 B12R2.606 Cc1cc2cc(ccc2[nH]1)F CM13612 [1,1,0,0,0,0|1,0,0]=3 72 B12R2.606 Cc1cc2ccc(cc2[nH]1)F CM13613 [1,1,0,0,0,0|1,0,0]=3 73 B12R2.606 c1cc2c(cc1Br)nc(o2)N CM10622 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.1815 Cc1c(n2ccc(cc2n1)C=O)C CM10612 [0,2,0,0,0,0|2,0,0]=4 75 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,0,1,1,0,0|1,0,1]=4 76 B12R1.107 CC(c1ccccc1)NC(=O)C CM11017 [0,0,1,0,0,1|0,0,2]=4