pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Datawarrior	0	-1	O=C1NC(=O)c2c1cccc2[N+](=O)[O-]	O=C1[N-]C(=O)c2c1cccc2[N+](=O)[O-]	mol13383	O=C1NC(=O)c2c1cccc2[N+](=O)[O-]
8.8000002	OCHEM	0	-1	O=C1NC(=O)c2c1cccc2[N+](=O)[O-]	O=C1[N-]C(=O)c2c1cccc2[N+](=O)[O-]	mol13383	O=C1NC(=O)c2c1cccc2[N+](=O)[O-]
8.535	AttenGpKa training set	0	-1	O=C1NC(=O)c2c1cccc2[N+](=O)[O-]	O=C1[N-]C(=O)c2c1cccc2[N+](=O)[O-]	mol13383	O=C1NC(=O)c2c1cccc2[N+](=O)[O-]