pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	Caine	0	-1	COCCOCc1nc(C(F)(F)F)ccc1C(=O)[C@H]1C(=O)[C@H](C)C[C@H](C)C1=O	COCCO[CH-]c1nc(C(F)(F)F)ccc1C(=O)[C@H]1C(=O)[C@H](C)C[C@H](C)C1=O,COCCOCc1nc(C(F)(F)F)ccc1C(=O)[C-]1C(=O)[C@H](C)C[C@H](C)C1=O	mol2701	COCCOCc1nc(C(F)(F)F)ccc1C(=O)C1C(=O)C(C)CC(C)C1=O