pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.95	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCCCCCCC(=O)O	CCCCCCCCC(=O)[O-]	mol18553	CCCCCCCCC(=O)O
4.9	OCHEM	0	-1	CCCCCCCCC(=O)O	CCCCCCCCC(=O)[O-]	mol18553	CCCCCCCCC(=O)O
4.94999980926514	QSARToolbox	0	-1	CCCCCCCCC(=O)O	CCCCCCCCC(=O)[O-]	mol18553	CCCCCCCCC(=O)O
4.96000003814697	QSARToolbox	0	-1	CCCCCCCCC(=O)O	CCCCCCCCC(=O)[O-]	mol18553	CCCCCCCCC(=O)O
3.765	AttenGpKa training set	0	-1	CCCCCCCCC(=O)O	CCCCCCCCC(=O)[O-]	mol18553	CCCCCCCCC(=O)O