pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.51	IUPAC digitized pKa	1	0	C[NH2+]c1cnc2cncnc2n1,CNc1cnc2c[nH+]cnc2n1,CNc1cnc2cnc[nH+]c2n1,CNc1c[nH+]c2cncnc2n1,CNc1cnc2cncnc2[nH+]1	CNc1cnc2cncnc2n1	mol8210	CNc1cnc2cncnc2n1
2.56	AttenGpKa training set	1	0	C[NH2+]c1cnc2cncnc2n1,CNc1cnc2c[nH+]cnc2n1,CNc1cnc2cnc[nH+]c2n1,CNc1c[nH+]c2cncnc2n1,CNc1cnc2cncnc2[nH+]1	CNc1cnc2cncnc2n1	mol8210	CNc1cnc2cncnc2n1