pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	IUPAC digitized pKa	1	0	C[C@@H](CC(=O)O)C1(C)N=[NH+]1	C[C@@H](CC(=O)[O-])C1(C)N=[NH+]1,C[C@@H](CC(=O)O)C1(C)N=N1	mol9782	CC(CC(=O)O)C1(C)N=N1