pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.48	IUPAC digitized pKa	0	-1	Cc1cccc(=O)c(O)c1C(=O)O	Cc1cccc(=O)c(O)c1C(=O)[O-]	mol10849	Cc1cccc(=O)c(O)c1C(=O)O
3.15	IUPAC digitized pKa	0	-1	Cc1cccc(=O)c(O)c1C(=O)O	Cc1cccc(=O)c(O)c1C(=O)[O-]	mol10849	Cc1cccc(=O)c(O)c1C(=O)O
3.2	AttenGpKa training set	0	-1	Cc1cccc(=O)c(O)c1C(=O)O	Cc1cccc(=O)c(O)c1C(=O)[O-]	mol10849	Cc1cccc(=O)c(O)c1C(=O)O
7.45	IUPAC digitized pKa	-1	-2	Cc1cccc(=O)c(O)c1C(=O)[O-]	Cc1cccc(=O)c([O-])c1C(=O)[O-]	mol10849	Cc1cccc(=O)c(O)c1C(=O)O
8.29	IUPAC digitized pKa	-1	-2	Cc1cccc(=O)c(O)c1C(=O)[O-]	Cc1cccc(=O)c([O-])c1C(=O)[O-]	mol10849	Cc1cccc(=O)c(O)c1C(=O)O
8.24	AttenGpKa training set	-1	-2	Cc1cccc(=O)c(O)c1C(=O)[O-]	Cc1cccc(=O)c([O-])c1C(=O)[O-]	mol10849	Cc1cccc(=O)c(O)c1C(=O)O