pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	AttenGpKa training set	1	0	CN1/C(=C/C(=[OH+])c2ccccc2)C=Cc2ccccc21,C[NH+]1/C(=C/C(=O)c2ccccc2)C=Cc2ccccc21	CN1/C(=C/C(=O)c2ccccc2)C=Cc2ccccc21	mol27056	CN1/C(=C/C(=O)c2ccccc2)C=Cc2ccccc21