pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.45	Datawarrior	0	-1	N#Cc1cccc(-c2nnn[nH]2)c1	N#Cc1cccc(-c2nnn[n-]2)c1	mol13817	N#Cc1cccc(-c2nnn[nH]2)c1
3.45000004768372	QSARToolbox	0	-1	N#Cc1cccc(-c2nnn[nH]2)c1	N#Cc1cccc(-c2nnn[n-]2)c1	mol13817	N#Cc1cccc(-c2nnn[nH]2)c1