pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.45	AttenGpKa training set	1	0	NCCn1cc[nH+]c1,[NH3+]CCn1ccnc1	NCCn1ccnc1	mol25859	NCCn1ccnc1
5.9	AttenGpKa training set	2	1	[NH3+]CCn1cc[nH+]c1	NCCn1cc[nH+]c1,[NH3+]CCn1ccnc1	mol25859	NCCn1ccnc1