"42.2" . "-3.1" . "-2" . "6" . "254.3254" . "20.1" . "ALOGPS" . "5" . "InChIKey=PWKSKIMOESPYIA-BYPYZUCNSA-N" . "10" . "InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3" . "1" . "0" . "ChemAxon" . "107.69" . "InChIKey=NGTCPFGWXMBZEP-IRCXUGDUSA-N" . "C9H13N2O8P" . "-4.3" .