pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	IUPAC digitized pKa	1	0	CCCNc1ncnc2c1c[nH+]n2C,CCC[NH2+]c1ncnc2c1cnn2C,CCCNc1[nH+]cnc2c1cnn2C,CCCNc1nc[nH+]c2c1cnn2C	CCCNc1ncnc2c1cnn2C	mol4960	CCCNc1ncnc2c1cnn2C
4.25	Datawarrior	1	0	CCCNc1ncnc2c1c[nH+]n2C,CCC[NH2+]c1ncnc2c1cnn2C,CCCNc1[nH+]cnc2c1cnn2C,CCCNc1nc[nH+]c2c1cnn2C	CCCNc1ncnc2c1cnn2C	mol4960	CCCNc1ncnc2c1cnn2C