pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.62	AttenGpKa training set	0	-1	NC(=O)N/N=C1\C=Cc2ccccc2C1=O	NC(=O)[N-]/N=C1\C=Cc2ccccc2C1=O	mol29595	NC(=O)N/N=C1\C=Cc2ccccc2C1=O