pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	Baltruschat ChEMBL	1	0	N#C[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1	N#C[C@@H](c1ccc2c(c1)OCO2)N1CCCC1	mol16346	N#CC(c1ccc2c(c1)OCO2)N1CCCC1