pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.53	IUPAC digitized pKa	1	0	CSc1ncnc2ncc[nH+]c12,CSc1nc[nH+]c2nccnc12,CSc1[nH+]cnc2nccnc12,CSc1ncnc2[nH+]ccnc12	CSc1ncnc2nccnc12	mol4834	CSc1ncnc2nccnc12
2.58999991416931	QSARToolbox	1	0	CSc1ncnc2ncc[nH+]c12,CSc1nc[nH+]c2nccnc12,CSc1[nH+]cnc2nccnc12,CSc1ncnc2[nH+]ccnc12	CSc1ncnc2nccnc12	mol4834	CSc1ncnc2nccnc12