pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.24	Datawarrior	1	0	Cc1[nH+]ccc2c1[nH]c1ccc([N+](=O)[O-])cc12	Cc1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12	mol15295	Cc1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12
6.2399998	OCHEM	1	0	Cc1[nH+]ccc2c1[nH]c1ccc([N+](=O)[O-])cc12	Cc1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12	mol15295	Cc1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12
7.76000022888184	QSARToolbox	1	0	Cc1[nH+]ccc2c1[nH]c1ccc([N+](=O)[O-])cc12	Cc1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12	mol15295	Cc1nccc2c1[nH]c1ccc([N+](=O)[O-])cc12