pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.18	AttenGpKa training set	0	-1	CCOC(=O)c1cc(=O)[nH]c(=O)n1C	CCOC(=O)c1cc(=O)[n-]c(=O)n1C	mol29570	CCOC(=O)c1cc(=O)[nH]c(=O)n1C