"31.16" . "InChI=1S/C12H17N5O3/c1-12(2,3)20-11(19)15-5-6-4-14-8-7(6)9(18)17-10(13)16-8/h4H,5H2,1-3H3,(H,15,19)(H4,13,14,16,17,18)" . "InChIKey=YLXDSYKOBKBWJQ-LBPRGKRZSA-N" . "11.36" . "ChemAxon" . "5" . "(1aR,3aR,4S,7aS,7bS)-4-({[4-(4-carboxybutanamido)phenyl]carbamoyl}methyl)-1a,7a-dimethyl-decahydrooxireno[2,3-f]quinolin-4-ium-4-olate" . "7.35e-02 g/l" . "2" . "4-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide" . "212.944085234" . "253.2958" . "1" . "-1.1" . "4" . "ALOGPS" . "2.44" .