pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.44	Baltruschat ChEMBL	1	0	CCOC(=O)c1s/c(=[NH+]/c2ccc3oc(=O)ccc3c2)n(CC)c1C	CCOC(=O)c1s/c(=N/c2ccc3oc(=O)ccc3c2)n(CC)c1C	mol19233	CCOC(=O)c1s/c(=N/c2ccc3oc(=O)ccc3c2)n(CC)c1C