pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	OCHEM	0	-1	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)[N-]1	mol29636	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1
7.05	OCHEM	0	-1	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)[N-]1	mol29636	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1
6.87	AttenGpKa training set	0	-1	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)[N-]1	mol29636	O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1