pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.53	Datawarrior	0	-1	N#Cc1ccc(-c2nnn[nH]2)cc1	N#Cc1ccc(-c2nnn[n-]2)cc1	mol13818	N#Cc1ccc(-c2nnn[nH]2)cc1
3.52999997138977	QSARToolbox	0	-1	N#Cc1ccc(-c2nnn[nH]2)cc1	N#Cc1ccc(-c2nnn[n-]2)cc1	mol13818	N#Cc1ccc(-c2nnn[nH]2)cc1