pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	IUPAC digitized pKa	1	0	CC1(CCC(=O)O)N=[NH+]1,CC1(CCC(=O)[O-])[NH+]=[NH+]1	CC1(CCC(=O)[O-])N=[NH+]1,CC1(CCC(=O)O)N=N1	mol9407	CC1(CCC(=O)O)N=N1