pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	1	0	O[C@@](CC[NH+]1CCCC1)(c1ccccc1)C1CCCCC1	O[C@@](CCN1CCCC1)(c1ccccc1)C1CCCCC1	mol17492	OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1