1 SOA Isatoic anhydride 1.000 2 2AE 2-amino-benzamide 0.900 3 BE2 2-aminobenzoic acid 0.900 4 E6F (1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid 0.900 5 VNJ 2-aminoacetophenone 0.900 6 010 Phenylmethanol 0.889 7 51V 2-methylaniline 0.889 8 HBX Benzaldehyde 0.889 9 3F0 2-azanyl-3-fluoranyl-benzoic acid 0.818 10 3HA 3-hydroxyanthranilic acid 0.818 11 3M0 2-azanyl-3-methyl-benzoic acid 0.818 12 4M0 2-azanyl-4-methyl-benzoic acid 0.818 13 5M0 2-azanyl-5-methyl-benzoic acid 0.818 14 5MK 2-azanyl-5-chloranyl-benzamide 0.818 15 5RG 2-amino-5-fluorobenzoic acid 0.818 16 6F0 2-azanyl-6-fluoranyl-benzoic acid 0.818 17 6M1 2-amino-6-methylbenzoic acid 0.818 18 FA0 2-amino-4-fluorobenzoic acid 0.818 19 HHA (2s,3s)-trans-2,3-dihydro-3-hydroxyanthranilic acid 0.818 20 SX1 2-amino-5-bromobenzoic acid 0.818 21 2C9 3-methylbenzene-1,2-diamine 0.800 22 2CM 2-chloro-6-methyl-aniline 0.800 23 3HY 3-(hydroxymethyl)phenol 0.800 24 4HR (2-bromophenyl)methanol 0.800 25 4JL (4-chlorophenyl)methanol 0.800 26 51S 2,4-dimethylaniline 0.800 27 71K 2-methylbenzene-1,3-diamine 0.800 28 AC0 1-phenylethanone 0.800 29 B74 (3-methylphenyl)methanol 0.800 30 BEZ Benzoic acid 0.800 31 BRB Para-bromobenzyl alcohol 0.800 32 E7I Benzoselenoate 0.800 33 FLM 3-fluoro-2-methyl-aniline 0.800 34 HB0 Trans-4-(hydroxymethyl)cyclohexanol 0.800 35 HBA P-hydroxybenzaldehyde 0.800 36 IOB 3-iodo-benzyl alcohol 0.800 37 NK Salicylaldehyde 0.800 38 R8A (2-aminopyridin-3-yl)methanol 0.800 39 RXK Cyclohexanecarboxylic acid 0.800 40 SA9 2-(hydroxymethyl)phenol 0.800 41 SS1 1-phenylethanol 0.800 42 SS2 (1r)-1-phenylethanol 0.800 43 UNU Benzamide 0.800 44 VTG (4-methylphenyl)methanol 0.800 45 WM2 Cyclohexanecarboxamide 0.800 46 XYD 2,5-dimethylaniline 0.800 47 ZK2 (2-methylphenyl)methanol 0.800 48 A1ADL 1-methylcyclohex-1-ene 0.778 49 ANL Aniline 0.778 50 HAI Cyclohexylammonium ion 0.778 51 MBN Toluene 0.778 52 QTE Methylcyclohexane 0.778 53 WOT Phenylazanium 0.778 54 14B 2-amino-3,5-dimethylbenzoic acid 0.750 55 4AA 4-chloro-3-hydroxyanthranilic acid 0.750 56 92K Isatinic acid 0.750 57 MS9 Methyl 2-amino-4-chlorobenzoate 0.750 58 VKH (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol 0.750 59 02K 1-aminocyclohexanecarboxylic acid 0.727 60 0IF 2-amino-6-fluorobenzonitrile 0.727 61 12M (2-ethylphenyl)methanol 0.727 62 174 4-chloro-benzoic acid 0.727 63 1DJ (1r)-1-phenylprop-2-yn-1-ol 0.727 64 1DW 2-bromo-5-hydroxybenzaldehyde 0.727 65 1Y6 4-fluorobenzoic acid 0.727 66 23A 2,3-dihydroxybenzaldehyde 0.727 67 24B (2,4-difluorophenyl)methanol 0.727 68 341 (3,5-difluorophenyl)methanol 0.727 69 3AB 3-aminobenzamide 0.727 70 3AO 1-(3-aminophenyl)ethanone 0.727 71 3BZ 3-chlorobenzoate 0.727 72 3HB 3-hydroxybenzoic acid 0.727 73 3OC (1r)-3-oxocyclohexanecarboxylic acid 0.727 74 3SK 2-methylbenzoic acid 0.727 75 3U4 2-fluorobenzoic acid 0.727 76 4AL [4-(aminomethyl)phenyl]methanol 0.727 77 4MA 4-methylbenzoic acid 0.727 78 4SV 3-aminopyridine-4-carboxylic acid 0.727 79 53C 1-(3-hydroxyphenyl)ethanone 0.727 80 6B0 (2,3-dichlorophenyl)methanol 0.727 81 6RK 4-azanylcyclohexane-1-carboxylic acid 0.727 82 7LQ (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol 0.727 83 7WV 2-bromobenzoic acid 0.727 84 8EZ (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid 0.727 85 A1BDD (4-methoxyphenyl)methanol 0.727 86 A1BDW (1,4-phenylene)dimethanol 0.727 87 A1IBT 2-selanylbenzoic acid 0.727 88 A1IGK N-methylbenzamide 0.727 89 A1IH8 [4-(hydroxymethyl)cyclohexyl]methanol 0.727 90 AC6 P-hydroxyacetophenone 0.727 91 BHO Benzhydroxamic acid 0.727 92 DFB 2,3-difluorobenzyl alcohol 0.727 93 E6H 3-methylbenzoselenoate 0.727 94 F9P N-hydroxycyclohexanecarboxamide 0.727 95 FBM N-hydroxycyclohex-1-ene-1-carboxamide 0.727 96 FEH (1r)-1-phenylethane-1,2-diol 0.727 97 FL0 2-bromanyl-1-phenyl-ethanone 0.727 98 GAB 3-aminobenzoic acid 0.727 99 GBC Gabaculine 0.727 100 H6N Protocatechuic aldehyde 0.727 101 HBD 4-hydroxybenzamide 0.727 102 HXT 2-hydroxy-1-phenylethanone 0.727 103 I1E 1-phenylpropan-1-one 0.727 104 I7Z 2-azanyl-4-chloranyl-benzenecarbonitrile 0.727 105 IJL 4-iodanylbenzamide 0.727 106 JKE 2-sulfanylbenzoic acid 0.727 107 KZ6 4-iodobenzoic acid 0.727 108 MBO Mercuribenzoic acid 0.727 109 MNN (S)-mandelic acid nitrile 0.727 110 MXN (2r)-hydroxy(phenyl)ethanenitrile 0.727 111 O78 (3z)-3-iminocyclohex-1-ene-1-carboxylic acid 0.727 112 OHB Salicylamide 0.727 113 OVV 3-methylbenzoic acid 0.727 114 PAB 4-aminobenzoic acid 0.727 115 PHB P-hydroxybenzoic acid 0.727 116 PRY 2-propyl-aniline 0.727 117 PV6 2-sulfanylbenzamide 0.727 118 QRM 3-aminocyclohexa-1,3-diene-1-carboxylic acid 0.727 119 SAL 2-hydroxybenzoic acid 0.727 120 SW7 4-methylbenzamide 0.727 121 VDK [(1s,3s)-3-carboxycyclohexyl]azanium 0.727 122 WCE 3-chloro-benzamide 0.727 123 WM4 Benzohydrazide 0.727 124 YRW 3-aminopyridine-4-carboxamide 0.727 125 Z82 4-bromobenzoic acid 0.727 126 1AN 2-fluoroaniline 0.700 127 2AF 2-aminophenol 0.700 128 2MH Cis-4-methylcyclohexanamine 0.700 129 4DX (1s,2s)-2-methylcyclohexanol 0.700 130 4JU Trans-4-methylcyclohexanamine 0.700 131 4MN 4-methylaniline 0.700 132 4NL 4-aminophenol 0.700 133 8VH 1,3-dimethylbenzene 0.700 134 93Q 3-methylpyridin-2-amine 0.700 135 9CL (chloromethyl)benzene 0.700 136 ABN Benzylamine 0.700 137 AIW Phenylmethaneselenol 0.700 138 AMC Aminomethylcyclohexane 0.700 139 C3U 1-chloranyl-2-methyl-benzene 0.700 140 C4O 1-chloranyl-4-methyl-benzene 0.700 141 C4U 1-chloranyl-3-methyl-benzene 0.700 142 C5O 1-bromanyl-4-methyl-benzene 0.700 143 CRS M-cresol 0.700 144 DNH 1r,2r-diaminocyclohexane 0.700 145 JZ0 O-cresol 0.700 146 K5V 3-aminophenol 0.700 147 M3T 3-methylbenzenethiol 0.700 148 NWO (1s,3s)-3-methylcyclohexan-1-ol 0.700 149 OXE Ortho-xylene 0.700 150 PCR P-cresol 0.700 151 PXY Para-xylene 0.700 152 PY7 Pyridin-4-ylmethanol 0.700 153 PYF 3-pyridinylcarbinol 0.700 154 PYJ Phenylethane 0.700 155 SDQ Phenylmethanethiol 0.700 156 SYN Ethenylbenzene 0.700 157 SZ3 Trans-4-aminocyclohexanol 0.700 158 UFZ (phenylmethyl)azanium 0.700 159 XIE Nicotinaldehyde 0.700 160 XQJ 1-iodo-3-methylbenzene 0.700 161 XQM 1-iodo-4-methylbenzene 0.700