pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	IUPAC digitized pKa	1	0	C[NH+](C)CCC(=O)NO	C[NH+](C)CCC(=O)N[O-],CN(C)CCC(=O)NO	mol9462	CN(C)CCC(=O)NO
7.84999990463257	QSARToolbox	1	0	C[NH+](C)CCC(=O)NO	C[NH+](C)CCC(=O)N[O-],CN(C)CCC(=O)NO	mol9462	CN(C)CCC(=O)NO