0 B14R1.41 OC(=O)C(O)C1=CC(OC)=C(O)C=C1 SBB017532 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 SBB072693 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.49 COC1=C(O)C=CC(C(O)C#N)=C1 SBB071697 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.49 COC1=C(O)C=CC(C(O)CN)=C1 SBB003359 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.52 COC1=C(O)C=CC(CC(C)=O)=C1 SBB071418 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.52 COC1=CC(CC(=O)O)=CC=C1O SBB063413 [1,0,0,0,0,0|0,0,0]=1 6 B13R1.510 CC1=CC(C(N)C(=O)O)=CC=C1F SBB090037 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.510 NC(C(=O)O)C1=CC=C(F)C(Cl)=C1 SBB093187 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.510 NC(C(=O)O)C1=CC=C(F)C(F)=C1 SBB090546 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.510 O=C(O)C(O)C1=CC=C(F)C(F)=C1 SBB063857 [1,0,0,0,0,0|2,0,0]=3 10 B15R2.4239 O=C(O)C(O)C1=CC2=C(C=C1)OCO2 SBB008591 [0,0,0,1,0,0|0,0,0]=1 11 B15R1.4038 COC1=C(O)C=CC(CC(N)C(=O)O)=C1 SBB094473 [0,0,0,0,0,1|1,0,0]=2 12 B15R1.4038 COC1=CC(\C=C(\S)C(=O)O)=CC=C1O SBB043387 [0,0,0,0,0,1|0,1,1]=3 13 B12R1.56 CNC1=CC(C(=O)O)=CC=C1O SBB072315 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 SBB008019 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.56 COC1=CC(B(O)O)=CC=C1F SBB071262 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.56 COC1=CC(C(=O)O)=CC=C1C SBB048279 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.56 COC1=CC(C(=O)O)=CC=C1Cl SBB008504 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.56 COC1=CC(C(=O)O)=CC=C1F SBB051453 [2,0,0,0,0,0|1,0,1]=4 19 B12R1.56 COC1=CC(C(=O)O)=CC=C1N SBB008622 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.56 COC1=CC(C(=O)O)=CC=C1O SBB008280 [2,0,0,0,0,0|0,0,1]=3 21 B12R1.56 COC1=CC(C(C)=O)=CC=C1O SBB008060 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.286 COC1=C(O)C=CC(\C=N\O)=C1 SBB019876 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.286 OC1=C(OC)C=C(CC=C)C=C1 SBB012362 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 SBB066098 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.367 NC[C@@H](O)C1=CC(O)=C(O)C=C1 SBB064179 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 SBB087783 [2,0,0,0,0,0|0,0,2]=4 27 B12R1.19 CC1=CC(CC(=O)O)=CC=C1F SBB088168 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C SBB017956 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.19 CC1=CC=C(CC(=O)O)C=C1F SBB088167 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.19 NC1=C(O)C=CC(CC(=O)O)=C1 SBB052639 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 SBB003501 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 SBB064497 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.19 O=C(O)CC1=CC=C(F)C(Br)=C1 SBB064034 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.19 O=C(O)CC1=CC=C(F)C(Cl)=C1 SBB064032 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.19 O=C(O)CC1=CC=C(F)C(F)=C1 SBB063735 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 SBB071465 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 SBB064931 [2,0,0,0,0,0|0,0,0]=2 38 B12R1.438 COC1=CC(NC(C)=O)=CC=C1 SBB080674 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 SBB042511 [2,0,0,0,0,0|0,0,0]=2 40 B12R1.438 COC1=CC=CC(CC(N)=S)=C1 SBB055060 [2,0,0,0,0,0|1,1,0]=4 41 B12R1.438 COC1=CC=CC(NC(N)=O)=C1 SBB087993 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 SBB064110 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SBB037860 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 SBB065020 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 SBB097533 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 SBB028364 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 SBB062828 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 SBB058359 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 SBB057734 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 SBB008325 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 SBB063787 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 SBB065018 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.20 OC(=O)C(C)C1=CC=C(O)C=C1 SBB003894 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 SBB028363 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 SBB065014 [2,0,0,0,0,0|1,0,0]=3 56 B14R1.705 O=C(O)CC1=CC=C(O)C([N+](=O)[O-])=C1 SBB007785 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.3651 COC1=C(OC)C=C(CC(C)O)C=C1 SBB072682 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.3651 COC1=CC=C(CC(=O)O)C=C1OC SBB040533 [1,1,0,0,0,0|0,0,0]=2 59 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC SBB051427 [1,1,0,0,0,0|1,0,0]=3 60 B14R1.4106 COC1=C(F)C(CC(=O)O)=CC=C1F SBB092889 [1,1,0,0,0,0|1,0,0]=3 61 B14R1.3583 COC1=CC=CC(C(C)(C)C(=O)O)=C1 SBB052611 [1,1,0,0,0,0|1,0,0]=3 62 B16R1.4273 COC1=C(OC)C=C(C(N)CC(=O)O)C=C1 SBB000651 [0,1,0,0,0,1|1,0,0]=3 63 B16R1.4274 COC1=CC=C(\C=C(/S)C(=O)O)C=C1OC SBB043385 [0,1,0,0,0,1|0,1,1]=4 64 B16R1.4763 COC1=C(O)C=CC(\C=C(\C#N)C(=O)O)=C1 SBB043502 [0,1,0,0,0,1|1,0,1]=4 65 B14R2.1008 CC(=O)NC1=CC=C2OCOC2=C1 SBB007866 [1,0,0,1,0,0|2,0,0]=4 66 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 SBB010977 [1,0,0,1,0,0|1,0,0]=3 67 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCC2 SBB010596 [1,0,0,1,0,0|2,0,0]=4 68 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OC=N2 SBB053279 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 SBB063736 [1,0,0,1,0,0|1,0,0]=3 70 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 SBB000212 [1,0,0,1,0,0|0,0,0]=2 71 B16R2.11587 NC(CC(=O)O)C1=CC2=C(C=C1)OCO2 SBB018102 [0,0,0,1,0,1|1,0,0]=3 72 B16R2.6257 CC(CC1=CC2=C(C=C1)OCO2)C(=O)O SBB024201 [0,0,0,1,0,1|1,0,0]=3 73 B16R2.6257 CC(OC1=CC2=C(C=C1)OCO2)C(=O)O SBB009313 [0,0,0,1,0,1|1,0,0]=3 74 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 SBB014922 [1,0,0,0,0,1|0,0,0]=2 75 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 SBB000326 [1,0,0,0,0,1|0,0,1]=3 76 B14R1.42 COC1=CC(CCC(C)=O)=CC=C1O SBB071427 [1,0,0,0,0,1|1,0,0]=3 77 B14R1.74 COC1=CC=CC(C(N)CC(=O)O)=C1 SBB013160 [1,0,0,0,0,1|1,0,0]=3 78 B14R1.75 COC1=CC(OC(C)C(=O)O)=CC=C1 SBB009316 [1,0,0,0,0,1|1,0,0]=3