pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	Baltruschat ChEMBL	0	-1	CCOC(=O)c1nsnc1O	CCOC(=O)c1nsnc1[O-]	mol19911	CCOC(=O)c1nsnc1O