1 1QQ (3s)-3-methyl-2-oxopentanoic acid 1.000 2 A1L3J (2~{R},3~{R})-3-methyl-2-oxidanyl-pentanoic acid 1.000 3 OIL (2s,3s)-2-hydroxy-3-methylpentanoic acid 1.000 4 UEI (2r,3s)-3-methyl-2-oxidanyl-pentanoic acid 1.000 5 DMV 2,3-dihydroxy-valerianic acid 0.900 6 69O 2-oxopentanoic acid 0.889 7 KIV 3-methyl-2-oxobutanoic acid 0.889 8 LHV (2s)-2-hydroxy-3-methylbutanoic acid 0.889 9 OXP 2-oxo-3-pentenoic acid 0.889 10 UE3 (2r)-2-oxidanylpentanoic acid 0.889 11 VAD Deaminohydroxyvaline 0.889 12 Q1Z (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid 0.818 13 ROQ (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid 0.818 14 V08 (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid 0.818 15 1LU (2s)-2-hydroxy-4-methyl-pentanoic acid 0.800 16 28J D-alloisoleucine 0.800 17 2RH (2r)-2-hydroxy-4-methylpentanoic acid 0.800 18 6Y5 5-fluoranyl-2-oxidanylidene-pentanoic acid 0.800 19 7DH (3e)-5-hydroxy-2-oxopent-3-enoic acid 0.800 20 7N5 2-ketohexanoic acid 0.800 21 7N6 (2r)-2-hydroxyhexanoic acid 0.800 22 89V (2s)-2,3-dihydroxy-3-methylbutanoic acid 0.800 23 A1EAJ (~{z},2~{S})-2-azanyl-3-methyl-pent-3-enoic acid 0.800 24 COI 2-oxo-4-methylpentanoic acid 0.800 25 DIL D-isoleucine 0.800 26 DO4 2,5-dioxopentanoic acid 0.800 27 G8I (2s)-2-hydroxy-3,3-dimethylbutanoic acid 0.800 28 IIL Iso-isoleucine 0.800 29 IL0 (2s,3s)-2-amino-3-methylpentane-1,1-diol 0.800 30 ILE Isoleucine 0.800 31 RX9 Dehydroisoleucine 0.800 32 SZR (2r)-4-cyano-2-hydroxybutanoic acid 0.800 33 WXU 3-hydroxy-3-methyl-2-oxobutanoic acid 0.800 34 XAI (2r)-2,3-dihydroxy-3-methylbutanoic acid 0.800 35 1SP (2s)-pentane-1,2-diol 0.778 36 2KT 2-ketobutyric acid 0.778 37 54L Pent-4-ynoic acid 0.778 38 9TS (2e)-pent-2-enoic acid 0.778 39 DK9 Pentane-1,1-diol 0.778 40 IVA Isovaleric acid 0.778 41 LEA Pentanoic acid 0.778 42 UCU (2r)-2-oxidanylbutanoic acid 0.778 43 IPM 3-isopropylmalic acid 0.750 44 QA8 (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid 0.750 45 0E5 (2s,3r)-2-azanyl-3-methyl-3-oxidanyl-pentanoic acid 0.727 46 1CO (3s)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid 0.727 47 2HG (2r)-2-hydroxypentanedioic acid 0.727 48 2VS (2z,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid 0.727 49 6OA (2z,4e)-2,6-dihydroxyhexa-2,4-dienoic acid 0.727 50 6OH (2e,4e)-2-hydroxy-6-oxohexa-2,4-dienoic acid 0.727 51 6UN (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid 0.727 52 7C3 6-azanyl-2-oxidanylidene-hexanoic acid 0.727 53 8EW 3-methylpent-2-enedioic acid 0.727 54 A1AFY (R)-mevaldehyde 0.727 55 AKG 2-oxoglutaric acid 0.727 56 GXP (4s)-4-hydroxy-2,5-dioxopentanoic acid 0.727 57 GXS (4r)-4-hydroxy-2,5-dioxopentanoic acid 0.727 58 I2M 3-methyl-L-alloisoleucine 0.727 59 IML N-methyl-isoleucine 0.727 60 KPL Ketopantoate 0.727 61 MD0 5-amino-D-isoleucine 0.727 62 MEV (R)-mevalonate 0.727 63 PAF Pantoate 0.727 64 S2G (2s)-2-hydroxypentanedioic acid 0.727 65 SKG 4-methylisoleucine 0.727 66 SKJ Beta-methylnorleucine 0.727 67 T2X (2r)-2-hydroxy-5-methylhexanoic acid 0.727 68 V1V (2s,3s)-3-amino-2-hydroxyhexanoic acid 0.727 69 WZJ N-methyl-L-alloisoleucine 0.727 70 0RE (2s)-hexane-1,2-diol 0.700 71 0W6 (4s)-4-aminopentanoic acid 0.700 72 217 (2s)-hex-5-ene-1,2-diol 0.700 73 2AG (2s)-2-aminopent-4-enoic acid 0.700 74 40S 3-methylpentane-1,5-diol 0.700 75 42B 4-amino-2-hydroxybutanoic acid 0.700 76 4MV 4-methyl valeric acid 0.700 77 6NA Hexanoic acid 0.700 78 7FB (2r)-hexane-1,2-diol 0.700 79 A1CIL (2r)-2-amino-3-methylbut-3-enoic acid 0.700 80 DAV Delta-amino valeric acid 0.700 81 DKF Hexane-1,1-diol 0.700 82 DVA D-valine 0.700 83 DYL (2r)-2-aminopent-4-enoic acid 0.700 84 EE0 (2~{R})-2-azanylpentanoic acid 0.700 85 F9D (2r)-2-aminopent-4-ynoic acid 0.700 86 FBE (3e)-5-aminopent-3-enoic acid 0.700 87 KFB 5-aminovaleric acid 0.700 88 LPH L-propargylglycine 0.700 89 NVA Norvaline 0.700 90 O4Q (~{E})-4-chloranyl-3-methyl-but-3-enal 0.700 91 OGU 2,3-dioh-butyric acid 0.700 92 QT8 3-oxidanylidenepentanoic acid 0.700 93 RXL Dehydrovaline 0.700 94 SHF Laevulinic acid 0.700 95 SHO 5-hydroxylaevulinic acid 0.700 96 SJ3 (4r)-4-hydroxypentanoic acid 0.700 97 U9O 5-azanyl-1-oxidanyl-pentan-2-one 0.700 98 VAI (2s)-2-amino-3-methylbutane-1,1-diol 0.700 99 VAL Valine 0.700 100 VGX 4-hydroxy-2-oxobutanoic acid 0.700 101 XXD (2s)-pentane-1,2,5-triol 0.700