pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	AttenGpKa training set	0	-1	CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O	CCOC(=O)C(c1c([O-])c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O	mol30021	CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O