pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.07	Organic Oxygen Acids and Nitrogen Bases	1	0	C[NH+]1CCO[C@](O)(c2ccc(Br)cc2)C1	CN1CCO[C@](O)(c2ccc(Br)cc2)C1	mol21829	CN1CCOC(O)(c2ccc(Br)cc2)C1