pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.46	IUPAC digitized pKa	1	0	NC1=[NH+]c2nccnc2[C@H](O)N1,NC1=Nc2ncc[nH+]c2[C@H](O)N1,NC1=Nc2[nH+]ccnc2[C@H](O)N1	NC1=Nc2nccnc2[C@H](O)N1	mol8051	NC1=Nc2nccnc2C(O)N1