pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.44999980926514	QSARToolbox	0	-1	O=[N+]([O-])c1cc([N+](=O)[O-])c(N/N=C/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C(F)(F)F)c1	O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]/N=C/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C(F)(F)F)c1	mol36272	O=[N+]([O-])c1cc([N+](=O)[O-])c(N/N=C/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C(F)(F)F)c1