pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	SAMPL6	1	0	O=C(Nc1ccccc1[NH+]1CCCCC1)c1ccc(Cl)o1	O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)o1	SM05	O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)o1