pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	IUPAC digitized pKa	1	0	CCOC(=O)c1cccc([NH+](C)N)c1,CCOC(=O)c1cccc(N(C)[NH3+])c1	CCOC(=O)c1cccc(N(C)N)c1	mol8847	CCOC(=O)c1cccc(N(C)N)c1
4.44999980926514	QSARToolbox	1	0	CCOC(=O)c1cccc([NH+](C)N)c1,CCOC(=O)c1cccc(N(C)[NH3+])c1	CCOC(=O)c1cccc(N(C)N)c1	mol8847	CCOC(=O)c1cccc(N(C)N)c1