pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.76	Datawarrior	0	-1	[O-][n+]1ccc(O)cc1	[O-]c1cc[n+]([O-])cc1	mol1297	[O-][n+]1ccc(O)cc1
5.7600002	OCHEM	0	-1	[O-][n+]1ccc(O)cc1	[O-]c1cc[n+]([O-])cc1	mol1297	[O-][n+]1ccc(O)cc1
5.76000022888184	QSARToolbox	0	-1	[O-][n+]1ccc(O)cc1	[O-]c1cc[n+]([O-])cc1	mol1297	[O-][n+]1ccc(O)cc1
5.83	AttenGpKa training set	0	-1	[O-][n+]1ccc(O)cc1	[O-]c1cc[n+]([O-])cc1	mol1297	[O-][n+]1ccc(O)cc1
2.3	IUPAC digitized pKa	1	0	Oc1cc[n+](O)cc1	[O-][n+]1ccc(O)cc1	mol1297	[O-][n+]1ccc(O)cc1
2.45	IUPAC digitized pKa	1	0	Oc1cc[n+](O)cc1	[O-][n+]1ccc(O)cc1	mol1297	[O-][n+]1ccc(O)cc1
2.29999995231628	QSARToolbox	1	0	Oc1cc[n+](O)cc1	[O-][n+]1ccc(O)cc1	mol1297	[O-][n+]1ccc(O)cc1