pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	IUPAC digitized pKa	0	-1	O=c1cc(O)[nH]c(=O)[nH]1	O=c1cc(O)[n-]c(=O)[nH]1,O=c1cc(O)[nH]c(=O)[n-]1,O=c1cc([O-])[nH]c(=O)[nH]1	mol9147	O=c1cc(O)[nH]c(=O)[nH]1
3.9	AttenGpKa training set	0	-1	O=c1cc(O)[nH]c(=O)[nH]1	O=c1cc(O)[n-]c(=O)[nH]1,O=c1cc(O)[nH]c(=O)[n-]1,O=c1cc([O-])[nH]c(=O)[nH]1	mol9147	O=c1cc(O)[nH]c(=O)[nH]1
4.98	AttenGpKa training set	0	-1	O=c1cc(O)[nH]c(=O)[nH]1	O=c1cc(O)[n-]c(=O)[nH]1,O=c1cc(O)[nH]c(=O)[n-]1,O=c1cc([O-])[nH]c(=O)[nH]1	mol9147	O=c1cc(O)[nH]c(=O)[nH]1
12.5	AttenGpKa training set	-1	-2	O=c1cc(O)[n-]c(=O)[nH]1,O=c1cc(O)[nH]c(=O)[n-]1,O=c1cc([O-])[nH]c(=O)[nH]1	O=c1cc([O-])[nH]c(=O)[n-]1,O=c1cc(O)[n-]c(=O)[n-]1,O=c1cc([O-])[n-]c(=O)[nH]1	mol9147	O=c1cc(O)[nH]c(=O)[nH]1