0 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,0,0,0,0,0|0,0,0]=0 6 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [1,0,0,0,0,0|0,0,2]=3 7 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [0,1,0,0,0,0|1,0,2]=4 8 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [0,1,0,0,0,0|0,0,0]=1 9 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])Br LS10167 [0,1,0,0,0,0|1,0,1]=3 10 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,1,0,0,0,0|1,0,1]=3 11 B12R1.43 C\C(=C/c1ccccc1)\[N+](=O)[O-] LS11815 [0,1,0,0,0,0|1,0,1]=3 12 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [0,1,0,0,0,0|0,0,2]=3 13 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [0,1,0,0,0,0|0,0,2]=3 14 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [0,1,0,0,0,0|0,0,2]=3 15 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [0,1,0,0,0,0|0,0,2]=3 16 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [0,1,0,0,0,0|0,0,2]=3 17 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,0,0,1,0,0|2,0,0]=3 18 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [0,0,0,1,0,0|2,0,0]=3 22 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.24 c1cc2cnccc2cc1Br LS20209 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,1,0,0|1,0,2]=4 25 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,1,0,0|2,0,1]=4 26 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [0,0,0,0,1,0|1,0,2]=4 30 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,0,0,1,0|2,0,1]=4 31 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,0,0,1,0|1,0,1]=3 32 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [0,0,0,0,1,0|1,0,0]=2 33 B12R1.252 c1ccc(cc1)CCCC(=O)O LS10686 [0,0,0,0,0,1|0,0,2]=3 34 B12R1.252 c1ccc(cc1)CNCC(=O)O LS40466 [0,0,0,0,0,1|0,0,2]=3 35 B12R1.252 c1ccc(cc1)COCC(=O)O LS10747 [0,0,0,0,0,1|0,0,2]=3 36 B9R1.8 c1cc(cnc1)CC=O LS21221 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.8 c1ccc(cc1)CNO LS11836 [2,0,0,0,0,0|1,0,1]=4 38 B9R1.8 c1ccc(cc1)CNO LS40338 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,1,0,0,1,0|1,0,1]=4 40 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,1,0,0,1,0|1,0,1]=4 41 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,1,0,0,1,0|1,0,1]=4 42 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,1,0,0,1,0|2,0,0]=4 43 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,1,0,0,1,0|1,0,1]=4 44 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,1,0,0,1,0|2,0,0]=4 45 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,1,0,0,1,0|1,0,1]=4 46 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,1,0,0,1,0|0,0,1]=3 47 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,1,0,0,1,0|0,0,1]=3 48 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,0,0,1,0|0,0,1]=3 49 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,0,0,1,0|0,0,1]=3 50 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,0,0,1,0|0,0,1]=3 51 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,1,0,0,1,0|1,0,1]=4 52 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,1,0,0,1,0|1,0,1]=4 53 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,1,0,0,1,0|1,0,1]=4 54 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,1,0,0,1,0|0,0,1]=3 55 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,1,0,0,1,0|1,0,1]=4 56 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,1,0,0,1,0|1,0,1]=4 57 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O LS11390 [0,2,0,0,0,0|0,0,0]=2 58 B13R1.3 c1cc(ccc1C#N)NCC(=O)O LS40290 [0,2,0,0,0,0|1,0,1]=4 59 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Cl LS10204 [0,2,0,0,0,0|0,0,0]=2 60 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O LS30251 [0,2,0,0,0,0|1,0,1]=4 61 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br LS30159 [0,2,0,0,0,0|0,0,2]=4 62 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br LS30158 [0,2,0,0,0,0|0,0,2]=4 63 B13R1.511 c1cc(c(cc1\C=C\C(=O)O)Cl)F LS10319 [0,2,0,0,0,0|0,0,0]=2 64 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N LS30298 [0,2,0,0,0,0|0,0,2]=4 65 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N LS30161 [0,2,0,0,0,0|0,0,2]=4 66 B13R1.148 c1cc(cc(c1)Br)C[C@H](C(=O)O)N LS30160 [0,2,0,0,0,0|0,0,2]=4 67 B11R1.53 COc1ccccc1C(=O)O LS11456 [0,0,1,1,0,0|1,0,1]=4 68 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [0,0,1,1,0,0|1,0,1]=4 69 B11R1.167 Cc1ccc(c(c1)C(=O)O)I LS10696 [0,0,1,1,0,0|1,0,1]=4 70 B11R1.167 Cc1ccc(cc1C(=O)O)Br LS10562 [0,0,1,1,0,0|1,0,1]=4 71 B11R1.167 Cc1ccc(cc1C(=O)O)F LS10582 [0,0,1,1,0,0|1,0,1]=4 72 B11R1.167 Cc1ccc(cc1C(=O)O)I LS11399 [0,0,1,1,0,0|1,0,1]=4 73 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl LS11201 [0,0,1,1,0,0|2,0,0]=4 74 B11R1.167 c1cc(c(cc1Br)C(=O)O)F LS10585 [0,0,1,1,0,0|2,0,0]=4 75 B11R1.167 c1cc(c(cc1Br)C(=O)O)N LS10708 [0,0,1,1,0,0|2,0,0]=4 76 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl LS11832 [0,0,1,1,0,0|2,0,0]=4 77 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N LS10348 [0,0,1,1,0,0|2,0,0]=4 78 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O LS11420 [0,0,1,1,0,0|2,0,0]=4 79 B11R1.167 c1cc(c(cc1F)C(=O)O)F LS11164 [0,0,1,1,0,0|2,0,0]=4 80 B11R1.167 c1cc(c(cc1F)C(=O)O)N LS11464 [0,0,1,1,0,0|2,0,0]=4 81 B11R1.167 c1cc(c(cc1F)C(=O)O)O LS10523 [0,0,1,1,0,0|2,0,0]=4 82 B11R1.167 c1cc(c(cc1N)C(=O)O)O LS11426 [0,0,1,1,0,0|2,0,0]=4 83 B11R1.167 c1cc(c(cc1O)C(=O)O)F LS10475 [0,0,1,1,0,0|2,0,0]=4 84 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,1,1,0|2,0,0]=4 85 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,1,1,0|0,0,1]=3 86 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,0,0,1,1,0|1,1,0]=4 87 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [0,0,0,1,1,0|2,0,0]=4 88 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [0,0,0,1,1,0|2,0,0]=4 89 B13R2.10 c1ccc(cc1)c2cnc(s2)N LS21056 [0,0,0,1,0,1|1,1,0]=4 90 B13R2.10 c1ccc(cc1)c2coc(n2)N LS11751 [0,0,0,1,0,1|2,0,0]=4 91 B13R2.72 B(c1csc2c1cccc2)(O)O LS11212 [0,0,0,1,0,1|1,0,1]=4 92 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O LS20140 [0,0,0,1,0,1|0,0,2]=4 93 B13R2.155 c1cc(=O)[nH]c2c1ncc(c2)Cl LS40787 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O LS40267 [0,1,0,1,0,0|1,0,0]=3 95 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br LS11864 [0,1,0,1,0,0|2,0,0]=4 96 B13R2.155 c1cc(cc2c1ccc(c2)Br)O LS40964 [0,1,0,1,0,0|1,0,0]=3 97 B13R2.57 c1cc2cc(ccc2nc1)C=O LS00079 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [0,1,0,1,0,0|1,0,0]=3 99 B13R2.57 c1ccc2cc(ccc2c1)CBr LS40772 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.57 c1ccc2cc(ccc2c1)CN LS40774 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [0,1,0,1,0,0|1,0,0]=3 102 B13R2.435 B(c1cc2ccccc2o1)(O)O LS00109 [0,1,0,1,0,0|1,0,1]=4 103 B13R2.435 B(c1cc2ccccc2s1)(O)O LS11084 [0,1,0,1,0,0|1,0,1]=4 104 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O LS20412 [0,1,0,1,0,0|0,0,2]=4 105 B13R2.435 c1ccc2c(c1)C[C@H](N2)C(=O)O LS30268 [0,1,0,1,0,0|0,0,2]=4 106 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O LS40345 [0,1,0,1,0,0|0,0,0]=2 107 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [0,1,0,1,0,0|0,0,0]=2 108 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl LS20831 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [0,1,0,1,0,0|1,0,0]=3 110 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br LS11863 [0,1,0,1,0,0|2,0,0]=4 111 B13R2.3683 c1cc2c(cc1Br)CCC(=O)O2 LS40054 [0,1,0,1,0,0|0,0,2]=4 112 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,0,0,0,2,0|1,0,1]=4 113 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,0,0,2,0|2,0,0]=4 114 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,0,0,0,2,0|2,0,0]=4 115 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,0,0,0,2,0|0,0,0]=2 116 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,0,0,0,2,0|1,1,0]=4 117 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [0,0,0,0,2,0|2,0,0]=4 118 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [0,0,0,0,2,0|2,0,0]=4 119 B9R1.6 c1cncnc1C(=O)O LS20389 [0,0,0,0,2,0|2,0,0]=4 120 B9R1.13 c1cc(oc1)CC(=O)O LS40055 [0,0,0,0,2,0|1,0,1]=4 121 B9R1.13 c1cc(sc1)CC(=O)O LS20649 [0,0,0,0,2,0|1,0,1]=4