pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.07	IUPAC digitized pKa	1	0	CNc1ncnc2c1[nH+]cn2C,C[NH2+]c1ncnc2c1ncn2C,CNc1nc[nH+]c2c1ncn2C,CNc1[nH+]cnc2c1ncn2C	CNc1ncnc2c1ncn2C	mol8321	CNc1ncnc2c1ncn2C
4.12	AttenGpKa training set	1	0	CNc1ncnc2c1[nH+]cn2C,C[NH2+]c1ncnc2c1ncn2C,CNc1nc[nH+]c2c1ncn2C,CNc1[nH+]cnc2c1ncn2C	CNc1ncnc2c1ncn2C	mol8321	CNc1ncnc2c1ncn2C