pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.13	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1ccnc2ccccc12,Nc1cc[nH+]c2ccccc12	Nc1ccnc2ccccc12	mol4348	Nc1ccnc2ccccc12
9.13000011444092	QSARToolbox	1	0	[NH3+]c1ccnc2ccccc12,Nc1cc[nH+]c2ccccc12	Nc1ccnc2ccccc12	mol4348	Nc1ccnc2ccccc12
8.68000030517578	QSARToolbox	1	0	[NH3+]c1ccnc2ccccc12,Nc1cc[nH+]c2ccccc12	Nc1ccnc2ccccc12	mol4348	Nc1ccnc2ccccc12