pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3	Datawarrior	0	-1	CC(C)CC[C@H]1C(=O)[C@H](O)C(CCC(C)C)(CCC(C)C)C1=O	CC(C)CC[C@H]1C(=O)[C@H]([O-])C(CCC(C)C)(CCC(C)C)C1=O,CC(C)CC[C-]1C(=O)[C@H](O)C(CCC(C)C)(CCC(C)C)C1=O,CC(C)CC[C@H]1C(=O)[C-](O)C(CCC(C)C)(CCC(C)C)C1=O	mol15675	CC(C)CCC1C(=O)C(O)C(CCC(C)C)(CCC(C)C)C1=O
6.3000002	OCHEM	0	-1	CC(C)CC[C@H]1C(=O)[C@H](O)C(CCC(C)C)(CCC(C)C)C1=O	CC(C)CC[C@H]1C(=O)[C@H]([O-])C(CCC(C)C)(CCC(C)C)C1=O,CC(C)CC[C-]1C(=O)[C@H](O)C(CCC(C)C)(CCC(C)C)C1=O,CC(C)CC[C@H]1C(=O)[C-](O)C(CCC(C)C)(CCC(C)C)C1=O	mol15675	CC(C)CCC1C(=O)C(O)C(CCC(C)C)(CCC(C)C)C1=O