pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.15	Datawarrior	0	-1	CC1(C)OC(=O)CC(=O)O1	CC1(C)OC(=O)[CH-]C(=O)O1	mol12903	CC1(C)OC(=O)CC(=O)O1
5.1	OCHEM	0	-1	CC1(C)OC(=O)CC(=O)O1	CC1(C)OC(=O)[CH-]C(=O)O1	mol12903	CC1(C)OC(=O)CC(=O)O1
5.1500001	OCHEM	0	-1	CC1(C)OC(=O)CC(=O)O1	CC1(C)OC(=O)[CH-]C(=O)O1	mol12903	CC1(C)OC(=O)CC(=O)O1
4.8	AttenGpKa training set	0	-1	CC1(C)OC(=O)CC(=O)O1	CC1(C)OC(=O)[CH-]C(=O)O1	mol12903	CC1(C)OC(=O)CC(=O)O1