pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	Baltruschat ChEMBL	1	0	COc1ccc(-c2ccc(CCCNc3ccc(C[NH+]4CCOCC4)cc3)nn2)cc1	COc1ccc(-c2ccc(CCCNc3ccc(CN4CCOCC4)cc3)nn2)cc1	mol16683	COc1ccc(-c2ccc(CCCNc3ccc(CN4CCOCC4)cc3)nn2)cc1