pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	IUPAC digitized pKa	1	0	CCCCCCNc1ncnc2c1c[nH+]n2C,CCCCCCNc1nc[nH+]c2c1cnn2C,CCCCCC[NH2+]c1ncnc2c1cnn2C,CCCCCCNc1[nH+]cnc2c1cnn2C	CCCCCCNc1ncnc2c1cnn2C	mol4951	CCCCCCNc1ncnc2c1cnn2C