pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.13	IUPAC digitized pKa	0	-1	CC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O	CC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)[O-]	mol11644	CC(=O)NC(Cc1cc(I)c(O)c(I)c1)C(=O)O
7.12	IUPAC digitized pKa	-1	-2	CC(=O)N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)[O-]	CC(=O)N[C@H](Cc1cc(I)c([O-])c(I)c1)C(=O)[O-]	mol11644	CC(=O)NC(Cc1cc(I)c(O)c(I)c1)C(=O)O