pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.13	Datawarrior	0	-1	CC1(C(=O)O)CCCCC1	CC1(C(=O)[O-])CCCCC1	mol12916	CC1(C(=O)O)CCCCC1
5.1300001	OCHEM	0	-1	CC1(C(=O)O)CCCCC1	CC1(C(=O)[O-])CCCCC1	mol12916	CC1(C(=O)O)CCCCC1
5.13000011444092	QSARToolbox	0	-1	CC1(C(=O)O)CCCCC1	CC1(C(=O)[O-])CCCCC1	mol12916	CC1(C(=O)O)CCCCC1
5.16	AttenGpKa training set	0	-1	CC1(C(=O)O)CCCCC1	CC1(C(=O)[O-])CCCCC1	mol12916	CC1(C(=O)O)CCCCC1