pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.8	IUPAC digitized pKa	1	0	C[NH2+]c1nnc(-c2ccccc2)s1,CNc1[nH+]nc(-c2ccccc2)s1,CNc1n[nH+]c(-c2ccccc2)s1	CNc1nnc(-c2ccccc2)s1	mol4253	CNc1nnc(-c2ccccc2)s1