0 B12R1.77 COC(=O)c1ccccc1CBr LS10148 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.41 COc1ccccc1CCO LS11834 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.53 B(c1ccccc1CC)(O)O LS10539 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.53 B(c1ccccc1OC)(O)O LS10801 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.53 B(c1ccccc1SC)(O)O LS00116 [1,0,0,0,0,0|1,1,1]=4 5 B11R1.53 B(c1cccnc1OC)(O)O LS20388 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.53 COc1ccccc1C(=O)O LS11456 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.222 CNC(=O)c1ccccc1N LS11490 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.222 COC(=O)c1cccnc1N LS20032 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.547 B(c1ccccc1C(=O)OC)(O)O LS10800 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.547 COC(=O)c1ccccc1C(=O)O LS11796 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.2209 COc1ccc(cc1C(=O)OC)Cl LS10631 [0,1,0,0,0,0|0,0,0]=1 16 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 LS41750 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.5252 c1ccc2c(c1)CCCCC2=O LS11823 [0,0,0,1,0,0|2,0,0]=3 18 B13R1.91 COC(=O)Cc1ccncc1C#N LS20108 [0,0,0,0,0,1|3,0,0]=4 19 B10R1.20 CCc1ccccc1C=O LS00084 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.20 COc1c(cccn1)C=O LS21173 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.20 COc1ccccc1CCl LS10029 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.20 COc1ccccc1OC LS11385 [2,0,0,0,0,0|0,0,0]=2 23 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.61 B(c1ccccc1C)(O)O LS10802 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.61 B(c1ccccc1O)(O)O LS10799 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.61 CC(=O)c1ccccc1N LS10731 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.61 CC(=O)c1ccccc1O LS10607 [2,0,0,0,0,0|0,0,0]=2 28 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.61 Cc1c(cncn1)C(=O)O LS20826 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.61 Cc1ccccc1C(=O)O LS10119 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.61 Cc1cccnc1C(=O)O LS20983 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [2,0,0,0,0,0|1,1,0]=4 41 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.15 COC(=O)c1cccnc1 LS20584 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O LS11050 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.46 B(c1cc(ccc1OC)F)(O)O LS11053 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.46 COc1c(cc(cn1)Br)C(=O)O LS20039 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.46 COc1ccc(cc1C(=O)O)Cl LS10620 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.46 COc1ccc(cc1C(=O)O)F LS10409 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.46 COc1ccc(cc1[N+](=O)[O-])O LS10060 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.57 COc1cc(ccc1C(=O)O)F LS10248 [1,1,0,0,0,0|0,0,0]=2 62 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F LS10561 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.87 B(c1cccc(c1OC)Br)(O)O LS11342 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.87 B(c1cccc(c1OC)F)(O)O LS10421 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.87 COc1c(cccc1Br)[N+](=O)[O-] LS10743 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.261 B(c1ccccc1C(=O)C)(O)O LS10789 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.261 B(c1ccccc1C(=O)O)(O)O LS10794 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] LS10730 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.261 c1ccc(c(c1)C(=O)O)I(=O)=O LS40397 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.437 B(c1c(cccc1F)OC)(O)O LS10985 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.437 CCc1cccc(c1C(=O)O)N LS10158 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.437 Cc1cccc(c1C(=O)O)OC LS10746 [1,1,0,0,0,0|0,0,0]=2 73 B12R1.24 COC(=O)c1cccc(c1F)N LS10072 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.24 COC(=O)c1cccc(c1N)Cl LS11487 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.24 COC(=O)c1cccc(c1N)O LS10153 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.308 CCOC(=O)c1ccccc1Cl LS10629 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.308 CCOC(=O)c1cccnc1C LS21134 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.308 CCOC(=O)c1ccncc1N LS20034 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.354 COC(=O)c1cc(ccc1Br)F LS11833 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.354 COC(=O)c1cc(ccc1I)Br LS10771 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.354 COC(=O)c1cc(ccc1N)Cl LS10357 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.354 COC(=O)c1cc(ccc1O)Cl LS10755 [1,1,0,0,0,0|0,0,0]=2 83 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I LS10697 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.354 Cc1ccc(cc1C(=O)OC)Br LS10769 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.1703 COC(=O)c1ccc(cc1F)Br LS11210 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.1703 COC(=O)c1ccc(cc1F)F LS11835 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.1703 COC(=O)c1ccc(cc1O)O LS10726 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br LS20025 [1,1,0,0,0,0|1,0,0]=3 89 B14R1.623 B(c1ccccc1C(=O)OCC)(O)O LS10811 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.7276 CCOC(=O)c1c(cccc1OC)C LS10745 [0,2,0,0,0,0|0,0,0]=2 91 B14R1.745 COC(=O)c1ccccc1C(F)(F)F LS11182 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)N LS11871 [0,2,0,0,0,0|1,1,0]=4 93 B12R1.58 COc1cc(cc(c1)OC)C=O LS11617 [0,0,1,1,0,0|2,0,0]=4 94 B12R2.315 COc1cccc2c1cc[nH]2 LS21192 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br LS40549 [1,0,0,1,0,0|2,0,0]=4 96 B14R2.10782 COC(=O)c1cccc2c1[nH]cc2 LS20567 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.149 COC(=O)c1c(ccs1)F LS20067 [1,0,0,0,1,0|2,0,0]=4 98 B10R1.149 Cc1c(ccs1)C(=O)OC LS20060 [1,0,0,0,1,0|1,0,0]=3 99 B10R1.149 Cn1cncc1C(=O)OC LS20172 [1,0,0,0,1,0|2,0,0]=4