pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.15	Datawarrior	1	0	C[C@@](Br)(C[NH3+])[N+](=O)[O-]	C[C@@](Br)(CN)[N+](=O)[O-]	mol12463	CC(Br)(CN)[N+](=O)[O-]
6.1500001	OCHEM	1	0	C[C@@](Br)(C[NH3+])[N+](=O)[O-]	C[C@@](Br)(CN)[N+](=O)[O-]	mol12463	CC(Br)(CN)[N+](=O)[O-]
6.15000009536743	QSARToolbox	1	0	C[C@@](Br)(C[NH3+])[N+](=O)[O-]	C[C@@](Br)(CN)[N+](=O)[O-]	mol12463	CC(Br)(CN)[N+](=O)[O-]