pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	Baltruschat ChEMBL	1	0	O=C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	O=C1CCN(Cc2ccc3c(c2)OCO3)CC1	mol20814	O=C1CCN(Cc2ccc3c(c2)OCO3)CC1