1 M1D 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)butanoic acid 1.000 2 E7R 1,3-dimethyl-7-propyl-purine-2,6-dione 0.842 3 7UM 3-methyl-7-propyl-purine-2,6-dione 0.789 4 X0T 7-[(2s)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione 0.762 5 CFF Caffeine 0.737 6 J6F 7-hexyl-3-methyl-8-sulfanylidene-9h-purine-2,6-dione 0.727 7 EXU 1,3,7-trimethyl-9h-purine-2,6,8-trione 0.700