pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	Datawarrior	1	0	C[C@H]1CC(C(=O)O)=[N+](O)C1(C)C	C[C@H]1CC(C(=O)O)=[N+]([O-])C1(C)C	mol12697	CC1CC(C(=O)O)=[N+]([O-])C1(C)C
2.8499999	OCHEM	1	0	C[C@H]1CC(C(=O)O)=[N+](O)C1(C)C	C[C@H]1CC(C(=O)O)=[N+]([O-])C1(C)C	mol12697	CC1CC(C(=O)O)=[N+]([O-])C1(C)C