"ChemAxon" . "-4.5" . "1297.28" . "4" . "-5" . "0" . "1" . "[H][C@]1(CN)CN(CCO1)C1=C(Br)C=NC2=C1C=NN2" . "ALOGPS" . "InChIKey=OMFNSKIUKYOYRG-MOSHPQCFSA-N" . "13.68" . "-0.33" . "135.9" . "C6H15O15P3" . "2.72" . "98.65" . "0.85" .