"C15H21NO8S2" . "-2.5" . "34.76" . "30.35" . "ChemAxon" . "5" . "1" . "0.88" . "ALOGPS" . "InChIKey=KKVZONPEMODBBG-UHFFFAOYSA-N" . "4.52" . "CC(C)(O)C#N" . "C19H18O4" . "0" . "2.83" . "4" .