"[NH3+]CC1=CC=C(F)C=C1" . "-4.3" . "-1" . "4.28" . "2-{2,4-dioxo-3-azatricyclo[7.3.1.0\u2075,\u00B9\u00B3]trideca-1(13),5,7,9,11-pentaen-3-yl}acetic acid" . "485.938" . "122.83" . "ALOGPS" . "0" . "InChIKey=QBDSZLJBMIMQRS-UHFFFAOYSA-N" . "ChemAxon" . "-3.2" . "46.17" . "1" . "4" . "35.94" . "59.14" . "173.047678473" . "InChIKey=XRQDFNLINLXZLB-VEGXAWMVSA-N" .