pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Baltruschat ChEMBL	1	0	c1cc2c(cc1C[NH+]1CCC1)OCO2	c1cc2c(cc1CN1CCC1)OCO2	mol20819	c1cc2c(cc1CN1CCC1)OCO2