pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9399996	OCHEM	0	-1	C[NH+]1CC[C@]23c4c5ccc([O-])c4O[C@H]2[C@H](O)CC[C@@H]3[C@H]1C5,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)CC[C@@H]3[C@H]1C5	CN1CC[C@]23c4c5ccc([O-])c4O[C@H]2[C@H](O)CC[C@@H]3[C@H]1C5	mol32658	CN1CCC23c4c5ccc(O)c4OC2C(O)CCC3C1C5