pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.45	IUPAC digitized pKa	1	0	CC1=Nc2[nH+]ccnc2[C@@H](O)N1,CC1=[NH+]c2nccnc2[C@@H](O)N1,CC1=Nc2ncc[nH+]c2[C@@H](O)N1	CC1=Nc2nccnc2[C@@H](O)N1	mol4770	CC1=Nc2nccnc2C(O)N1