0 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.91 CC(CCc1ccccc1)N LS10632 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.17 c1ccc(cc1)NCCN LS10740 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [0,1,0,0,0,0|1,0,1]=3 11 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [0,1,0,0,0,0|1,0,0]=2 17 B12R2.24 c1cc2c(nc1)NC(=O)CO2 LS40780 [0,0,0,1,0,0|2,0,0]=3 18 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,1,0,0|1,0,0]=2 20 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 LS30254 [0,0,0,1,0,0|1,0,1]=3 21 B12R2.2057 c1ccc(cc1)OC[C@H]2CO2 LS00142 [0,0,0,1,0,0|1,0,1]=3 22 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [0,0,0,0,1,0|1,0,1]=3 23 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,0,0,1,0|1,0,0]=2 25 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [0,0,0,0,1,0|2,0,1]=4 26 B12R1.252 C[C@@H](COCc1ccccc1)O LS30228 [0,0,0,0,0,1|1,0,1]=3 27 B12R1.252 C[C@H](COCc1ccccc1)O LS30229 [0,0,0,0,0,1|1,0,1]=3 28 B12R1.252 c1ccc(cc1)CCCC(=O)O LS10686 [0,0,0,0,0,1|1,0,0]=2 29 B12R1.252 c1ccc(cc1)CNCC(=O)O LS40466 [0,0,0,0,0,1|1,0,0]=2 30 B12R1.252 c1ccc(cc1)COCC(=O)O LS10747 [0,0,0,0,0,1|0,0,0]=1 31 B9R1.8 c1cc(cnc1)CC=O LS21221 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.8 c1ccc(cc1)CCN LS10634 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.8 c1ccc(cc1)CCN LS10635 [2,0,0,0,0,0|1,0,1]=4 34 B9R1.8 c1ccc(cc1)CNO LS11836 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 c1ccc(cc1)CNO LS40338 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 c1ccc(cc1)CON LS40003 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.1 c1cc(ccc1OCCBr)Cl LS10083 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.28 c1ccc(cc1)CCCCO LS10545 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.28 c1ccc(cc1)COCCO LS10494 [1,1,0,0,0,0|0,0,1]=3 40 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,1,0,0,1,0|1,0,0]=3 41 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,1,0,0,1,0|1,0,0]=3 42 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,1,0,0,1,0|1,0,0]=3 43 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,1,0,0,1,0|1,0,0]=3 44 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,1,0,0,1,0|1,0,0]=3 45 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,1,0,0,1,0|2,0,0]=4 46 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,1,0,0,1,0|1,0,0]=3 47 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,1,0,0,1,0|0,0,0]=2 48 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,1,0,0,1,0|0,0,0]=2 49 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,0,0,1,0|0,0,0]=2 50 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,0,0,1,0|0,0,0]=2 51 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,0,0,1,0|0,0,0]=2 52 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,1,0,0,1,0|1,0,0]=3 53 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,1,0,0,1,0|1,0,0]=3 54 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,1,0,0,1,0|1,0,0]=3 55 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,1,0,0,1,0|0,0,0]=2 56 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,1,0,0,1,0|1,0,0]=3 57 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,1,0,0,1,0|1,0,0]=3 58 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O LS11390 [0,2,0,0,0,0|1,0,1]=4 59 B13R1.3 c1cc(ccc1C#N)NCC(=O)O LS40290 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Cl LS10204 [0,2,0,0,0,0|1,0,1]=4 61 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O LS30251 [0,2,0,0,0,0|0,0,0]=2 62 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br LS30159 [0,2,0,0,0,0|1,0,0]=3 63 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br LS30158 [0,2,0,0,0,0|1,0,0]=3 64 B13R1.511 c1cc(c(cc1\C=C\C(=O)O)Cl)F LS10319 [0,2,0,0,0,0|1,0,1]=4 65 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N LS30298 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N LS30161 [0,2,0,0,0,0|1,0,0]=3 67 B13R1.148 c1cc(cc(c1)Br)C[C@H](C(=O)O)N LS30160 [0,2,0,0,0,0|1,0,0]=3 68 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [1,0,0,1,0,0|1,0,1]=4 69 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,1,1,0|2,0,0]=4 70 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,1,1,0|0,0,0]=2 71 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [0,0,0,1,1,0|1,0,1]=4 72 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,0,0,1,1,0|1,1,0]=4 73 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O LS20140 [0,0,0,1,0,1|1,0,0]=3 74 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 LS40147 [0,0,0,1,0,1|2,0,0]=4 75 B13R2.2382 c1ccc(cc1)COCC2CO2 LS40021 [0,0,0,1,0,1|1,0,1]=4 76 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 LS30051 [0,0,0,1,0,1|1,0,1]=4 77 B13R2.2382 c1ccc(cc1)COC[C@H]2CO2 LS30050 [0,0,0,1,0,1|1,0,1]=4 78 B13R2.155 c1cc(nc2c1OCC(=O)N2)Br LS40781 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O LS20412 [0,1,0,1,0,0|1,0,0]=3 80 B13R2.435 c1ccc2c(c1)C[C@H](N2)C(=O)O LS30268 [0,1,0,1,0,0|1,0,0]=3 81 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O LS40345 [0,1,0,1,0,0|0,1,1]=4 82 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [0,1,0,1,0,0|1,0,1]=4 83 B13R2.5179 c1cc2c(c(c1)Br)CCC(=O)C2 LS40056 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.3683 c1c(cnc2c1OCC(=O)N2)Cl LS40782 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.3683 c1cc2c(cc1Br)CCC(=O)O2 LS40054 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,0,0,0,2,0|1,0,1]=4 87 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,0,0,2,0|2,0,0]=4 88 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,0,0,0,2,0|2,0,0]=4 89 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,0,0,0,2,0|0,0,0]=2 90 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,0,0,0,2,0|1,1,0]=4 91 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [0,0,0,0,2,0|2,0,0]=4 92 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [0,0,0,0,2,0|2,0,0]=4 93 B9R1.6 c1cncnc1C(=O)O LS20389 [0,0,0,0,2,0|2,0,0]=4 94 B9R1.13 c1c(nc[nH]1)CC(=O)O LS20933 [0,0,0,0,2,0|2,0,0]=4 95 B9R1.13 c1cc(oc1)CC(=O)O LS40055 [0,0,0,0,2,0|1,0,0]=3 96 B9R1.13 c1cc(sc1)CC(=O)Cl LS21114 [0,0,0,0,2,0|2,0,0]=4 97 B9R1.13 c1cc(sc1)CC(=O)O LS20649 [0,0,0,0,2,0|1,0,0]=3