pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	Datawarrior	1	0	C[N+]1(CCCCCC(=O)O)CCCCC1	C[N+]1(CCCCCC(=O)[O-])CCCCC1	mol14329	C[N+]1(CCCCCC(=O)O)CCCCC1
4.4400001	OCHEM	1	0	C[N+]1(CCCCCC(=O)O)CCCCC1	C[N+]1(CCCCCC(=O)[O-])CCCCC1	mol14329	C[N+]1(CCCCCC(=O)O)CCCCC1