pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59999990463257	QSARToolbox	0	-1	O=[N+]([O-])c1ccc(O[P@](=O)([O-])OCC[NH2+]CC(F)(F)F)c(Cl)c1	O=[N+]([O-])c1ccc(O[P@](=O)([O-])OCCNCC(F)(F)F)c(Cl)c1	mol38112	O=[N+]([O-])c1ccc(OP(=O)(O)OCCNCC(F)(F)F)c(Cl)c1