pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	IUPAC digitized pKa	1	0	CNc1nc(C)[nH+]cc1N,CNc1[nH+]c(C)ncc1N,C[NH2+]c1nc(C)ncc1N,CNc1nc(C)ncc1[NH3+]	CNc1nc(C)ncc1N	mol7097	CNc1nc(C)ncc1N
7.45	AttenGpKa training set	1	0	CNc1nc(C)[nH+]cc1N,CNc1[nH+]c(C)ncc1N,C[NH2+]c1nc(C)ncc1N,CNc1nc(C)ncc1[NH3+]	CNc1nc(C)ncc1N	mol7097	CNc1nc(C)ncc1N