pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	IUPAC digitized pKa	1	0	CCOc1ccc([C@H](C)[NH+](CCCl)CCCl)cc1	CCOc1ccc([C@H](C)N(CCCl)CCCl)cc1	mol6125	CCOc1ccc(C(C)N(CCCl)CCCl)cc1