1 34D 3,5-dihydroxybenzoate 1.000 2 3DS (4s,5r)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid 0.917 3 DHK 3-dehydroshikimate 0.917 4 FT5 (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid 0.917 5 GDE 3,4,5-trihydroxybenzoic acid 0.917 6 SKM (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid 0.917 7 3HB 3-hydroxybenzoic acid 0.909 8 3OC (1r)-3-oxocyclohexanecarboxylic acid 0.909 9 DQA 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid 0.846 10 FSQ (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid 0.846 11 QIC (1s,3r,4s,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 0.846 12 3HA 3-hydroxyanthranilic acid 0.833 13 4A3 4-amino-3-hydroxybenzoic acid 0.833 14 AW5 3-methyl-5-oxidanyl-benzoic acid 0.833 15 D1X 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid 0.833 16 DBH 2,3-dihydroxy-benzoic acid 0.833 17 DHB 3,4-dihydroxybenzoic acid 0.833 18 GTQ 2,5-dihydroxybenzoic acid 0.833 19 HHA (2s,3s)-trans-2,3-dihydro-3-hydroxyanthranilic acid 0.833 20 PF0 3-hydroxy-2-methylbenzoic acid 0.833 21 3HY 3-(hydroxymethyl)phenol 0.818 22 BEZ Benzoic acid 0.818 23 RXK Cyclohexanecarboxylic acid 0.818 24 8I4 (2r,3s,5r,6r)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid 0.786 25 9C4 (2s)-2-hydroxy-3-epiquinic acid 0.786 26 9PY (2r)-2-methyl-3-dehydroquinic acid 0.786 27 L9D (1s,2r,3s,4s,5s,6r)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid 0.786 28 L9Z (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid 0.786 29 VAU (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid 0.786 30 4AA 4-chloro-3-hydroxyanthranilic acid 0.769 31 DHS 3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate 0.769 32 FA1 2,3 -anhydro-quinic acid 0.769 33 FDK (1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol 0.769 34 FEK (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol 0.769 35 FH2 (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol 0.769 36 FQZ (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid 0.769 37 HMC 5-hydroxymethyl-chonduritol 0.769 38 L6X 4-methoxy-3-oxidanyl-benzoic acid 0.769 39 M96 (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol 0.769 40 PVI (4r,5r)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid 0.769 41 02K 1-aminocyclohexanecarboxylic acid 0.750 42 174 4-chloro-benzoic acid 0.750 43 1DW 2-bromo-5-hydroxybenzaldehyde 0.750 44 1Y6 4-fluorobenzoic acid 0.750 45 23A 2,3-dihydroxybenzaldehyde 0.750 46 3BZ 3-chlorobenzoate 0.750 47 3SK 2-methylbenzoic acid 0.750 48 3U4 2-fluorobenzoic acid 0.750 49 4MA 4-methylbenzoic acid 0.750 50 53B 6-hydroxypyridine-2-carboxylic acid 0.750 51 53C 1-(3-hydroxyphenyl)ethanone 0.750 52 5HN 5-hydroxypyridine-3-carboxylic acid 0.750 53 6RK 4-azanylcyclohexane-1-carboxylic acid 0.750 54 7LQ (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol 0.750 55 7WV 2-bromobenzoic acid 0.750 56 8EZ (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid 0.750 57 BE2 2-aminobenzoic acid 0.750 58 DC1 5,5-dimethylcyclohexane-1,3-dione 0.750 59 E6F (1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid 0.750 60 GAB 3-aminobenzoic acid 0.750 61 GBC Gabaculine 0.750 62 H6N Protocatechuic aldehyde 0.750 63 JKE 2-sulfanylbenzoic acid 0.750 64 KZ6 4-iodobenzoic acid 0.750 65 MBO Mercuribenzoic acid 0.750 66 MHV 4-oxo-L-pipecolic acid 0.750 67 O78 (3z)-3-iminocyclohex-1-ene-1-carboxylic acid 0.750 68 OVV 3-methylbenzoic acid 0.750 69 PAB 4-aminobenzoic acid 0.750 70 PHB P-hydroxybenzoic acid 0.750 71 QRM 3-aminocyclohexa-1,3-diene-1-carboxylic acid 0.750 72 SAL 2-hydroxybenzoic acid 0.750 73 VDK [(1s,3s)-3-carboxycyclohexyl]azanium 0.750 74 Z82 4-bromobenzoic acid 0.750 75 ND3 2,2-dimethyl-3-dehydroquinic acid 0.733 76 010 Phenylmethanol 0.727 77 CRS M-cresol 0.727 78 HBX Benzaldehyde 0.727 79 NWO (1s,3s)-3-methylcyclohexan-1-ol 0.727 80 RCO Resorcinol 0.727 81 15L D-galactaro-1,5-lactone 0.714 82 66U (1r,2s,3s,4r,5s,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol 0.714 83 7D2 (1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol 0.714 84 7WR 3-methoxy-4,5-bis(oxidanyl)benzoic acid 0.714 85 8IB 2-hydroxyterephthalic acid 0.714 86 ADA Alpha-D-galactopyranuronic acid 0.714 87 BDP Beta-D-glucopyranuronic acid 0.714 88 BEM Beta-D-mannopyranuronic acid 0.714 89 E35 Ethyl 3,5-dihydroxybenzoate 0.714 90 EVA (2s,3r,4s,5r)-3,4,5-trihydroxy-6-oxopiperidine-2-carboxylic acid 0.714 91 F8F (2s,5s)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid 0.714 92 F8X 2-amino-2-deoxy-beta-D-altropyranuronic acid 0.714 93 FA3 2-anhydro-3-fluoro-quinic acid 0.714 94 GCB (2s,3s,4s,5r)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid 0.714 95 GCU Alpha-D-glucopyranuronic acid 0.714 96 GJS 4-hydroxybenzene-1,2-dicarboxylic acid 0.714 97 GOG 3-hydroxybenzene-1,2-dicarboxylic acid 0.714 98 GTR Beta-D-galactopyranuronic acid 0.714 99 GUF 2-deoxy-2-fluoro-beta-D-glucopyranuronic acid 0.714 100 GUZ 2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid 0.714 101 H62 (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid 0.714 102 IDR Alpha-L-idopyranuronic acid 0.714 103 JIW Beta-D-manno-configured cyclophellitol aziridine, reacted form 0.714 104 KGH (1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol 0.714 105 LGU Alpha-L-gulopyranuronic acid 0.714 106 MAV Alpha-D-mannopyranuronic acid 0.714 107 N1L 2-amino-2-deoxy-beta-D-glucopyranuronic acid 0.714 108 OM0 (1r,2s,3r,4r)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol 0.714 109 OML (1r,2s,3r,4r)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol 0.714 110 OVU (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid 0.714 111 PBW (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol 0.714 112 PO8 (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol 0.714 113 UUU (1s,2s,3s,4s,5r,6r)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol 0.714 114 VKN (1r,2s,4s,5r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol 0.714 115 WPL (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid 0.714 116 X1X Alpha-D-talopyranuronic acid 0.714 117 YGX (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol 0.714 118 YLL (1r,2s,3s,4s,5r,6r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol 0.714