pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	IUPAC digitized pKa	1	0	CN(C)c1cnc2c[nH+]cnc2n1,CN(C)c1c[nH+]c2cncnc2n1,C[NH+](C)c1cnc2cncnc2n1,CN(C)c1cnc2cncnc2[nH+]1,CN(C)c1cnc2cnc[nH+]c2n1	CN(C)c1cnc2cncnc2n1	mol4800	CN(C)c1cnc2cncnc2n1
2.52999997138977	QSARToolbox	1	0	CN(C)c1cnc2c[nH+]cnc2n1,CN(C)c1c[nH+]c2cncnc2n1,C[NH+](C)c1cnc2cncnc2n1,CN(C)c1cnc2cncnc2[nH+]1,CN(C)c1cnc2cnc[nH+]c2n1	CN(C)c1cnc2cncnc2n1	mol4800	CN(C)c1cnc2cncnc2n1