pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.57999992370605	QSARToolbox	0	-1	O=C(O)CC[N+](=O)[O-]	O=C([O-])CC[N+](=O)[O-]	mol22223	O=C(O)CC[N+](=O)[O-]
3.79	AttenGpKa training set	0	-1	O=C(O)CC[N+](=O)[O-]	O=C([O-])CC[N+](=O)[O-]	mol22223	O=C(O)CC[N+](=O)[O-]