pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Baltruschat ChEMBL	1	0	COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1C[NH2+]CCO1	COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CNCCO1	mol16096	COc1cc(Cl)ccc1OC(c1ccccc1)C1CNCCO1