1 N4B N-butylbenzene 1.000 2 YGM (but-3-en-1-yl)benzene 1.000 3 3H2 Pentylbenzene 0.909 4 4DD (2r)-4-phenylbutan-2-amine 0.909 5 PBN 4-phenylbutylamine 0.909 6 3H0 Propylbenzene 0.900 7 3GZ Hexylbenzene 0.833 8 8MK (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one 0.833 9 BKZ 4-(4-hydroxyphenyl)butan-2-one 0.833 10 CLT 4-phenyl-butanoic acid 0.833 11 ZAZ 5-cyclohexylpentan-1-ol 0.833 12 1DJ (1r)-1-phenylprop-2-yn-1-ol 0.818 13 1WE (2s)-1-phenylpropan-2-amine 0.818 14 2LP 2-allylphenol 0.818 15 3GY (2r)-butan-2-ylbenzene 0.818 16 3PL 3-phenylpropanal 0.818 17 9Y3 (2z)-3-phenylprop-2-enal 0.818 18 9Y6 (2e)-3-phenylprop-2-enal 0.818 19 DIY 5-butylpiperidine 0.818 20 DK0 (2~{R})-1-phenylpropan-2-ol 0.818 21 FRD 1-phenyl-2-aminopropane 0.818 22 I1E 1-phenylpropan-1-one 0.818 23 I4B Isobutylbenzene 0.818 24 JZ4 2-propylphenol 0.818 25 LT1 (3-chloropropyl)benzene 0.818 26 PRA 3-phenylpropylamine 0.818 27 PRY 2-propyl-aniline 0.818 28 Y8J 3-butylpyridine 0.818 29 YGS (2-methylprop-2-en-1-yl)benzene 0.818 30 PYJ Phenylethane 0.800 31 SYN Ethenylbenzene 0.800 32 3FB (3s)-3-amino-4-phenylbutanoic acid 0.769 33 4R9 N-oxidanyl-4-phenyl-butanamide 0.769 34 5PV 5-phenylvaleric acid 0.769 35 87X 5-cyclohexylpentanoic acid 0.769 36 HMF 2-amino-4-phenyl-butyric acid 0.769 37 HPE Homophenylalanine 0.769 38 HX1 4-butylbenzoic acid 0.769 39 MFG (1z)-4-(4-fluorophenyl)-2-methylidenebutan-1-imine 0.769 40 PCS Phenylalanylmethylchloride 0.769 41 PHK (2r,3s)-3-amino-1-chloro-4-phenyl-butan-2-ol 0.769 42 V3R (2s)-4-(3,4-difluorophenyl)butan-2-amine 0.769 43 V87 N-(4-phenylbutyl)formamide 0.769 44 V8G Trans-4-butylcyclohexane-1-carboxylic acid 0.769 45 Y9E 2-oxo-4-phenylbutanoic acid 0.769 46 ZE7 6-cyclohexylhexan-1-ol 0.769 47 269 (1r)-3-chloro-1-phenylpropan-1-ol 0.750 48 3QM [(2r)-2-nitrosopropyl]benzene 0.750 49 A1H7R (2s)-1-(4-bromophenyl)propan-2-amine 0.750 50 A1ICA (2e)-3-(4-chlorophenyl)prop-2-enal 0.750 51 AEG 4-[(2r)-2-aminopropyl]phenol 0.750 52 B40 (2s)-N-methyl-1-phenylpropan-2-amine 0.750 53 BPW 3-(4-chlorophenyl)propan-1-amine 0.750 54 C1R 4-piperidinebutyrate 0.750 55 CXP Cyclohexane propionic acid 0.750 56 DH6 Cinnamide 0.750 57 DIJ 3-(4-bromophenyl)propanal 0.750 58 H4Q 4-[(2~{R})-butan-2-yl]phenol 0.750 59 HCI Hydrocinnamic acid 0.750 60 JQ8 Phenylpropiolic acid 0.750 61 K7M (2r)-N-hydroxy-1-phenylpropan-2-amine 0.750 62 LYL 2-allyl-6-methyl-phenol 0.750 63 NPU (1r,2r)-2-amino-1-phenylpropan-1-ol 0.750 64 P18 3-hydroxy-1-phenylpropan-1-one 0.750 65 PBO 1-pyridin-3-ylbutan-1-one 0.750 66 PHA Phenylalaninal 0.750 67 PHL L-phenylalaninol 0.750 68 SYG 2-[(1~{S})-1-azanylpropyl]phenol 0.750 69 T9G 2-[(1r)-1-aminopropyl]phenol 0.750 70 TCA Phenylethylenecarboxylic acid 0.750 71 VOE (2r)-2-phenylbutan-1-amine 0.750 72 W6L (3r)-3-amino-3-phenylpropanenitrile 0.750 73 4VP 4-ethenylphenol 0.727 74 98B (1s)-1-phenylethanamine 0.727 75 A1ATB (propan-2-yl)benzene 0.727 76 A1ATC [(1s)-1-chloroethyl]benzene 0.727 77 A1C1V [(1r)-1-chloroethyl]benzene 0.727 78 AC0 1-phenylethanone 0.727 79 CEE (2-chloroethyl)benzene 0.727 80 E8N 1-ethyl-1-methyl-cyclohexane 0.727 81 ETY 4-ethylphenol 0.727 82 HY1 Phenylacetaldehyde 0.727 83 JZ1 2-ethylphenol 0.727 84 PEA 2-phenylethylamine 0.727 85 PEL 2-phenyl-ethanol 0.727 86 QSC (1r)-1-phenylethanamine 0.727 87 SS1 1-phenylethanol 0.727 88 SS2 (1r)-1-phenylethanol 0.727 89 Y8G 2-butylthiophene 0.727 90 005 (2s,3s)-3-amino-2-hydroxy-4-phenylbutanoic acid 0.714 91 01B (2s,3r)-3-amino-2-hydroxy-4-phenylbutanoic acid 0.714 92 6PP 3-[(2z)-3-methylpent-2-en-1-yl]benzene-1,2-diol 0.714 93 6VF (2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol 0.714 94 6YP 4-butylbenzenesulfonamide 0.714 95 73O (2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid 0.714 96 A1IUA Alpha-damascone 0.714 97 A1IUB Alpha-ionone 0.714 98 ACZ Cis-amiclenomycin 0.714 99 B3Y (3s)-3-amino-4-(4-hydroxyphenyl)butanoic acid 0.714 100 BTW (2s,3r)-2-benzyl-3-sulfanylbutanoic acid 0.714 101 EPT Heptanyl-P-phenol 0.714 102 GJK (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one 0.714 103 ID3 (3e)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one 0.714 104 KPV 5-phenyl-2-keto-valeric acid 0.714 105 KRN (4r)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid 0.714 106 KY1 4-(2-aminophenyl)-4-oxobutanoic acid 0.714 107 P4E (2s,4e)-2-amino-5-phenylpent-4-enoic acid 0.714 108 PH8 5-phenyl-L-norvaline 0.714 109 TOH (3e)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid 0.714 110 TZA Trans-amiclenomycin 0.714 111 VP3 4-(4-fluorophenyl)-4-oxobutanoic acid 0.714 112 W1N (3s)-3-amino-4-(2-fluorophenyl)butanoic acid 0.714 113 XI7 2-4-dioxo-4-phenylbutanoic acid 0.714 114 A1ADL 1-methylcyclohex-1-ene 0.700 115 MBN Toluene 0.700 116 QTE Methylcyclohexane 0.700