pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.91	IUPAC digitized pKa	1	0	Cc1nc([NH3+])nc(C)c1-c1ccccc1,Cc1nc(N)[nH+]c(C)c1-c1ccccc1	Cc1nc(N)nc(C)c1-c1ccccc1	mol7052	Cc1nc(N)nc(C)c1-c1ccccc1
4.61	OCHEM	1	0	Cc1nc([NH3+])nc(C)c1-c1ccccc1,Cc1nc(N)[nH+]c(C)c1-c1ccccc1	Cc1nc(N)nc(C)c1-c1ccccc1	mol7052	Cc1nc(N)nc(C)c1-c1ccccc1
4.90999984741211	QSARToolbox	1	0	Cc1nc([NH3+])nc(C)c1-c1ccccc1,Cc1nc(N)[nH+]c(C)c1-c1ccccc1	Cc1nc(N)nc(C)c1-c1ccccc1	mol7052	Cc1nc(N)nc(C)c1-c1ccccc1