pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.87	Datawarrior	1	0	C=Cc1ccc[nH+]c1	C=Cc1cccnc1	mol12398	C=Cc1cccnc1
4.8699999	OCHEM	1	0	C=Cc1ccc[nH+]c1	C=Cc1cccnc1	mol12398	C=Cc1cccnc1
4.86999988555908	QSARToolbox	1	0	C=Cc1ccc[nH+]c1	C=Cc1cccnc1	mol12398	C=Cc1cccnc1