pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.22	IUPAC digitized pKa	0	-1	O=c1c(O)c(-c2ccccc2)c1=O	O=c1c([O-])c(-c2ccccc2)c1=O	mol11171	O=c1c(O)c(-c2ccccc2)c1=O
0.37	IUPAC digitized pKa	0	-1	O=c1c(O)c(-c2ccccc2)c1=O	O=c1c([O-])c(-c2ccccc2)c1=O	mol11171	O=c1c(O)c(-c2ccccc2)c1=O
0.075	AttenGpKa training set	0	-1	O=c1c(O)c(-c2ccccc2)c1=O	O=c1c([O-])c(-c2ccccc2)c1=O	mol11171	O=c1c(O)c(-c2ccccc2)c1=O