pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.4	Baltruschat ChEMBL	1	0	O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCC[NH+]4CCOCC4)cc3)cc12	O=C([O-])c1c[nH]c2cc(Cl)c(-c3ccc(OCCC[NH+]4CCOCC4)cc3)cc12	mol16705	O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCCN4CCOCC4)cc3)cc12