pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.16	IUPAC digitized pKa	1	0	Cc1nc[nH+]c2c1ncn2C,Cc1[nH+]cnc2c1ncn2C,Cc1ncnc2c1[nH+]cn2C	Cc1ncnc2c1ncn2C	mol8286	Cc1ncnc2c1ncn2C
3.2	AttenGpKa training set	1	0	Cc1nc[nH+]c2c1ncn2C,Cc1[nH+]cnc2c1ncn2C,Cc1ncnc2c1[nH+]cn2C	Cc1ncnc2c1ncn2C	mol8286	Cc1ncnc2c1ncn2C