pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	Baltruschat ChEMBL	2	1	O=C(Nc1cc[nH][nH+]1)N1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1	O=C(Nc1cc[nH]n1)N1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1	mol19783	O=C(Nc1cc[nH]n1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1