pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.10000038146973	QSARToolbox	-1	-2	N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-],[NH3+][C@@H](Cc1ccc(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-]	N[C@@H](Cc1ccc(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-]	mol35224	NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O