pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.95	IUPAC digitized pKa	1	0	C[n+]1ccc(C(=O)NO)cc1	C[n+]1ccc(C(=O)N[O-])cc1	mol10370	C[n+]1ccc(C(=O)NO)cc1
6.3	IUPAC digitized pKa	1	0	C[n+]1ccc(C(=O)NO)cc1	C[n+]1ccc(C(=O)N[O-])cc1	mol10370	C[n+]1ccc(C(=O)NO)cc1
6.1399998664856	QSARToolbox	1	0	C[n+]1ccc(C(=O)NO)cc1	C[n+]1ccc(C(=O)N[O-])cc1	mol10370	C[n+]1ccc(C(=O)NO)cc1
6.14	AttenGpKa training set	1	0	C[n+]1ccc(C(=O)NO)cc1	C[n+]1ccc(C(=O)N[O-])cc1	mol10370	C[n+]1ccc(C(=O)NO)cc1