pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.7	Datawarrior	0	-1	CC1(C)O[C@@H]2CC(=O)OC[C@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3C[C@](C)(C[C@H]2CCOC2)C[C@]12O[C@H]2C(=O)O	CC1(C)O[C@@H]2CC(=O)OC[C@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3C[C@](C)(C[C@H]2CCOC2)C[C@]12O[C@H]2C(=O)[O-]	mol14375	CC1(C)O[C@@H]2CC(=O)OC[C@]23[C@@H]1CC(=O)[C@@]1(C)[C@H]3C[C@](C)(CC2CCOC2)C[C@]12O[C@H]2C(=O)O