pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	IUPAC digitized pKa	1	0	CCCC[NH2+]c1nc(C)nc2c1ncn2C,CCCCNc1[nH+]c(C)nc2c1ncn2C,CCCCNc1nc(C)nc2c1[nH+]cn2C,CCCCNc1nc(C)[nH+]c2c1ncn2C	CCCCNc1nc(C)nc2c1ncn2C	mol8273	CCCCNc1nc(C)nc2c1ncn2C
5.01	AttenGpKa training set	1	0	CCCC[NH2+]c1nc(C)nc2c1ncn2C,CCCCNc1[nH+]c(C)nc2c1ncn2C,CCCCNc1nc(C)nc2c1[nH+]cn2C,CCCCNc1nc(C)[nH+]c2c1ncn2C	CCCCNc1nc(C)nc2c1ncn2C	mol8273	CCCCNc1nc(C)nc2c1ncn2C