pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	QSARToolbox	0	-1	CC(=O)N(C[C@H](C)C(=O)O)c1c(I)cc(I)c(N)c1I	CC(=O)N(C[C@H](C)C(=O)[O-])c1c(I)cc(I)c(N)c1I	mol38555	CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I