pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.05	IUPAC digitized pKa	1	0	CCNc1[nH+]nc(-c2ccccc2)s1,CCNc1n[nH+]c(-c2ccccc2)s1,CC[NH2+]c1nnc(-c2ccccc2)s1	CCNc1nnc(-c2ccccc2)s1	mol4250	CCNc1nnc(-c2ccccc2)s1
3.0	Datawarrior	1	0	CCNc1[nH+]nc(-c2ccccc2)s1,CCNc1n[nH+]c(-c2ccccc2)s1,CC[NH2+]c1nnc(-c2ccccc2)s1	CCNc1nnc(-c2ccccc2)s1	mol4250	CCNc1nnc(-c2ccccc2)s1