pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79	IUPAC digitized pKa	0	-1	Cc1cc(C(=O)O)[nH]n1	Cc1cc(C(=O)[O-])[nH]n1	mol9372	Cc1cc(C(=O)O)[nH]n1
3.99	Datawarrior	0	-1	Cc1cc(C(=O)O)[nH]n1	Cc1cc(C(=O)[O-])[nH]n1	mol9372	Cc1cc(C(=O)O)[nH]n1
4.0	Baltruschat ChEMBL	0	-1	Cc1cc(C(=O)O)[nH]n1	Cc1cc(C(=O)[O-])[nH]n1	mol9372	Cc1cc(C(=O)O)[nH]n1
3.59	Baltruschat ChEMBL	0	-1	Cc1cc(C(=O)O)[nH]n1	Cc1cc(C(=O)[O-])[nH]n1	mol9372	Cc1cc(C(=O)O)[nH]n1
3.99000000953674	QSARToolbox	0	-1	Cc1cc(C(=O)O)[nH]n1	Cc1cc(C(=O)[O-])[nH]n1	mol9372	Cc1cc(C(=O)O)[nH]n1
3.89	AttenGpKa training set	0	-1	Cc1cc(C(=O)O)[nH]n1	Cc1cc(C(=O)[O-])[nH]n1	mol9372	Cc1cc(C(=O)O)[nH]n1