"3" . "457.043597425" . "ALOGPS" . "tridecanoic acid" . "roxi\u03B2" . "1" . "InChIKey=TZFWDZFKRBELIQ-UHFFFAOYSA-N" . "-6.5" . "12.89" . "9.96" . "-2.2" . "0" . "5" . "63.86" . "CH3Hg" . "(2R)-2-[6-(pentyloxy)naphthalene-2-sulfonamido]pentanedioic acid" . "-1.8" . "ChemAxon" . "128.37" . "C10H15N5" .