pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.54	Datawarrior	0	-1	CN(C)/C=[NH+]/c1ccc([O-])cc1,CN(C)/C=N/c1ccc(O)cc1	CN(C)/C=N/c1ccc([O-])cc1	mol12620	CN(C)/C=N/c1ccc(O)cc1
8.28	Datawarrior	0	-1	CN(C)/C=[NH+]/c1ccc([O-])cc1,CN(C)/C=N/c1ccc(O)cc1	CN(C)/C=N/c1ccc([O-])cc1	mol12620	CN(C)/C=N/c1ccc(O)cc1
8.27999973297119	QSARToolbox	0	-1	CN(C)/C=[NH+]/c1ccc([O-])cc1,CN(C)/C=N/c1ccc(O)cc1	CN(C)/C=N/c1ccc([O-])cc1	mol12620	CN(C)/C=N/c1ccc(O)cc1