pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.48	AttenGpKa training set	0	-1	Cc1ccc(C(=O)[C@H]2C(=O)ON=C2c2ccccc2)cc1	Cc1ccc(C(=O)[c-]2c(-c3ccccc3)noc2=O)cc1	mol30312	Cc1ccc(C(=O)C2C(=O)ON=C2c2ccccc2)cc1