pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.7	IUPAC digitized pKa	1	0	[NH3+]c1ncnc2nc(Cl)cnc12,Nc1ncnc2nc(Cl)c[nH+]c12,Nc1[nH+]cnc2nc(Cl)cnc12,Nc1nc[nH+]c2nc(Cl)cnc12,Nc1ncnc2[nH+]c(Cl)cnc12	Nc1ncnc2nc(Cl)cnc12	mol8041	Nc1ncnc2nc(Cl)cnc12
2.75	AttenGpKa training set	1	0	[NH3+]c1ncnc2nc(Cl)cnc12,Nc1ncnc2nc(Cl)c[nH+]c12,Nc1[nH+]cnc2nc(Cl)cnc12,Nc1nc[nH+]c2nc(Cl)cnc12,Nc1ncnc2[nH+]c(Cl)cnc12	Nc1ncnc2nc(Cl)cnc12	mol8041	Nc1ncnc2nc(Cl)cnc12