pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.25	IUPAC digitized pKa	1	0	Nc1ccc2nccnc2[nH+]1,[NH3+]c1ccc2nccnc2n1,Nc1ccc2ncc[nH+]c2n1,Nc1ccc2[nH+]ccnc2n1	Nc1ccc2nccnc2n1	mol2481	Nc1ccc2nccnc2n1
-2.0	Hunt	2	1	[NH3+]c1ccc2ncc[nH+]c2n1,Nc1ccc2[nH+]cc[nH+]c2n1,Nc1ccc2[nH+]ccnc2[nH+]1,[NH3+]c1ccc2[nH+]ccnc2n1,[NH3+]c1ccc2nccnc2[nH+]1,Nc1ccc2ncc[nH+]c2[nH+]1	Nc1ccc2nccnc2[nH+]1,[NH3+]c1ccc2nccnc2n1,Nc1ccc2ncc[nH+]c2n1,Nc1ccc2[nH+]ccnc2n1	mol2481	Nc1ccc2nccnc2n1