pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.712	IUPAC digitized pKa	0	-1	CCSCC(=O)O	CCSCC(=O)[O-]	mol9225	CCSCC(=O)O
3.61	IUPAC digitized pKa	0	-1	CCSCC(=O)O	CCSCC(=O)[O-]	mol9225	CCSCC(=O)O
4.11	IUPAC digitized pKa	0	-1	CCSCC(=O)O	CCSCC(=O)[O-]	mol9225	CCSCC(=O)O
3.74	AttenGpKa training set	0	-1	CCSCC(=O)O	CCSCC(=O)[O-]	mol9225	CCSCC(=O)O