pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.64	AttenGpKa training set	0	-1	O=C(NO)c1cccc(C(=O)NO)n1	O=C([N-]O)c1cccc(C(=O)NO)n1,O=C(N[O-])c1cccc(C(=O)NO)n1	mol31436	O=C(NO)c1cccc(C(=O)NO)n1
8.8	AttenGpKa training set	0	-1	O=C(NO)c1cccc(C(=O)NO)n1	O=C([N-]O)c1cccc(C(=O)NO)n1,O=C(N[O-])c1cccc(C(=O)NO)n1	mol31436	O=C(NO)c1cccc(C(=O)NO)n1
2.0	AttenGpKa training set	1	0	O=C(NO)c1cccc(C(=O)NO)[nH+]1	O=C(NO)c1cccc(C(=O)NO)n1	mol31436	O=C(NO)c1cccc(C(=O)NO)n1