pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.46	IUPAC digitized pKa	1	0	CSc1cnc2cnc[nH+]c2n1,CSc1cnc2cncnc2[nH+]1,CSc1c[nH+]c2cncnc2n1,CSc1cnc2c[nH+]cnc2n1	CSc1cnc2cncnc2n1	mol4835	CSc1cnc2cncnc2n1
2.49000000953674	QSARToolbox	1	0	CSc1cnc2cnc[nH+]c2n1,CSc1cnc2cncnc2[nH+]1,CSc1c[nH+]c2cncnc2n1,CSc1cnc2c[nH+]cnc2n1	CSc1cnc2cncnc2n1	mol4835	CSc1cnc2cncnc2n1