pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.69	OCHEM	0	-1	COC(=O)[C@@H]1[C@H]2Cc3c4[n-]c5ccccc5c4cc[n+]3C[C@H]2CC[C@H]1O,COC(=O)[C@@H]1[C@H]2Cc3c4[nH]c5ccccc5c4cc[n+]3[CH-][C@H]2CC[C@H]1O	COC(=O)[C@@H]1[C@H]2Cc3c4[n-]c5ccccc5c4cc[n+]3[CH-][C@H]2CC[C@H]1O,COC(=O)[C@@H]1[C@H]2Cc3c4[nH]c5ccccc5c4cc[n+]3[CH-][C@H]2CC[C@H]1[O-],COC(=O)[C@@H]1[C@H]2Cc3c4[n-]c5ccccc5c4cc[n+]3C[C@H]2CC[C@H]1[O-]	mol32379	COC(=O)C1C(O)CCC2C[n+]3ccc4c([nH]c5ccccc54)c3CC21