pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.81	IUPAC digitized pKa	1	0	[NH3+]c1cnc2c(Cl)ncnc2n1,Nc1cnc2c(Cl)[nH+]cnc2n1,Nc1cnc2c(Cl)nc[nH+]c2n1,Nc1c[nH+]c2c(Cl)ncnc2n1,Nc1cnc2c(Cl)ncnc2[nH+]1	Nc1cnc2c(Cl)ncnc2n1	mol8042	Nc1cnc2c(Cl)ncnc2n1