pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.59	AttenGpKa training set	0	-1	NCCC(=O)NO,[NH3+]CCC(=O)N[O-]	NCCC(=O)N[O-]	mol9070	NCCC(=O)NO
7.9	IUPAC digitized pKa	1	0	[NH3+]CCC(=O)NO	NCCC(=O)NO,[NH3+]CCC(=O)N[O-]	mol9070	NCCC(=O)NO
7.90000009536743	QSARToolbox	1	0	[NH3+]CCC(=O)NO	NCCC(=O)NO,[NH3+]CCC(=O)N[O-]	mol9070	NCCC(=O)NO
8.38	AttenGpKa training set	1	0	[NH3+]CCC(=O)NO	NCCC(=O)NO,[NH3+]CCC(=O)N[O-]	mol9070	NCCC(=O)NO