pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.41	IUPAC digitized pKa	1	0	C[n+]1cccc(C(=O)NO)c1	C[n+]1cccc(C(=O)N[O-])c1	mol10369	C[n+]1cccc(C(=O)NO)c1
6.5	IUPAC digitized pKa	1	0	C[n+]1cccc(C(=O)NO)c1	C[n+]1cccc(C(=O)N[O-])c1	mol10369	C[n+]1cccc(C(=O)NO)c1
6.61999988555908	QSARToolbox	1	0	C[n+]1cccc(C(=O)NO)c1	C[n+]1cccc(C(=O)N[O-])c1	mol10369	C[n+]1cccc(C(=O)NO)c1
6.59999990463257	QSARToolbox	1	0	C[n+]1cccc(C(=O)NO)c1	C[n+]1cccc(C(=O)N[O-])c1	mol10369	C[n+]1cccc(C(=O)NO)c1
6.46000003814697	QSARToolbox	1	0	C[n+]1cccc(C(=O)NO)c1	C[n+]1cccc(C(=O)N[O-])c1	mol10369	C[n+]1cccc(C(=O)NO)c1
6.62	AttenGpKa training set	1	0	C[n+]1cccc(C(=O)NO)c1	C[n+]1cccc(C(=O)N[O-])c1	mol10369	C[n+]1cccc(C(=O)NO)c1