pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.3	AttenGpKa training set	1	0	CN1C(=O)[C@@H](O)[NH+]=C(c2ccccc2Cl)c2cc(Cl)ccc21,CN1C(=[OH+])[C@@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21	CN1C(=O)[C@@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21	mol29889	CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21