pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.59	Organic Oxygen Acids and Nitrogen Bases	1	0	CSc1nccc[nH+]1	CSc1ncccn1	mol4219	CSc1ncccn1
0.29	OCHEM	1	0	CSc1nccc[nH+]1	CSc1ncccn1	mol4219	CSc1ncccn1
0.589999973773956	QSARToolbox	1	0	CSc1nccc[nH+]1	CSc1ncccn1	mol4219	CSc1ncccn1