pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.08	Datawarrior	1	0	Cc1cccc(-n2nnnc2[NH3+])c1,Cc1cccc(-n2nn[nH+]c2N)c1	Cc1cccc(-n2nnnc2N)c1	mol4308	Cc1cccc(-n2nnnc2N)c1
1.08000004291534	QSARToolbox	1	0	Cc1cccc(-n2nnnc2[NH3+])c1,Cc1cccc(-n2nn[nH+]c2N)c1	Cc1cccc(-n2nnnc2N)c1	mol4308	Cc1cccc(-n2nnnc2N)c1