pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.32	IUPAC digitized pKa	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-]	mol1788	Cc1cccc(O)c1C(=O)O
3.16	IUPAC digitized pKa	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-]	mol1788	Cc1cccc(O)c1C(=O)O
3.35	Datawarrior	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-]	mol1788	Cc1cccc(O)c1C(=O)O
3.3499999	OCHEM	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-]	mol1788	Cc1cccc(O)c1C(=O)O
3.3199999332428	QSARToolbox	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-]	mol1788	Cc1cccc(O)c1C(=O)O
3.52999997138977	QSARToolbox	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-]	mol1788	Cc1cccc(O)c1C(=O)O
3.21000003814697	QSARToolbox	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-]	mol1788	Cc1cccc(O)c1C(=O)O
3.16000008583069	QSARToolbox	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-]	mol1788	Cc1cccc(O)c1C(=O)O
3.14	AttenGpKa training set	0	-1	Cc1cccc(O)c1C(=O)O	Cc1cccc(O)c1C(=O)[O-]	mol1788	Cc1cccc(O)c1C(=O)O