pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Datawarrior	0	-1	Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2O	Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2[O-]	mol15702	Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2O
3.0999999	OCHEM	0	-1	Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2O	Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2[O-]	mol15702	Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2O
3.09999990463257	QSARToolbox	0	-1	Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2O	Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2[O-]	mol15702	Cc1c(Cl)c([N+](=O)[O-])cc2c1nnn2O