pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.42	Datawarrior	0	-1	O/N=C/c1ccnc2ccccc12	[O-]/N=C/c1ccnc2ccccc12	mol13778	O/N=C/c1ccnc2ccccc12
4.55	Datawarrior	1	0	O/N=C/c1cc[nH+]c2ccccc12,O/[NH+]=C/c1ccnc2ccccc12	O/N=C/c1ccnc2ccccc12	mol13778	O/N=C/c1ccnc2ccccc12
4.55000019073486	QSARToolbox	1	0	O/N=C/c1cc[nH+]c2ccccc12,O/[NH+]=C/c1ccnc2ccccc12	O/N=C/c1ccnc2ccccc12	mol13778	O/N=C/c1ccnc2ccccc12