pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9699998	OCHEM	1	0	C[NH+]1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@H]3[C@@H]1C5	CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@H]3[C@@H]1C5,C[NH+]1CC[C@@]23c4c5ccc([O-])c4O[C@H]2C(=O)CC[C@@H]3[C@@H]1C5	mol32655	CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5