pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89	Datawarrior	1	0	C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1	C[n+]1ccc(-c2nc3ccccc3[n-]2)cc1	mol14523	C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1
8.8900003	OCHEM	1	0	C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1	C[n+]1ccc(-c2nc3ccccc3[n-]2)cc1	mol14523	C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1
2.26	Datawarrior	2	1	C[n+]1ccc(-c2[nH]c3ccccc3[nH+]2)cc1	C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1	mol14523	C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1
2.25999999046326	QSARToolbox	2	1	C[n+]1ccc(-c2[nH]c3ccccc3[nH+]2)cc1	C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1	mol14523	C[n+]1ccc(-c2nc3ccccc3[nH]2)cc1