pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.86	Baltruschat ChEMBL	1	0	COc1ccc(C(CCC[NH3+])(c2ccccc2)c2ccccc2)cc1	COc1ccc(C(CCCN)(c2ccccc2)c2ccccc2)cc1	mol19728	COc1ccc(C(CCCN)(c2ccccc2)c2ccccc2)cc1