pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	AttenGpKa training set	0	-1	O=C(O)/C=C/C(=O)NOCc1ccccc1	O=C([O-])/C=C/C(=O)NOCc1ccccc1	mol31450	O=C(O)/C=C/C(=O)NOCc1ccccc1
10.0	AttenGpKa training set	-1	-2	O=C([O-])/C=C/C(=O)NOCc1ccccc1	O=C([O-])/C=C/C(=O)[N-]OCc1ccccc1	mol31450	O=C(O)/C=C/C(=O)NOCc1ccccc1