pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.98	AttenGpKa training set	1	0	CCCCOC(=O)/C(C[n+]1cccc2ccccc21)=N\O	CCCCOC(=O)/C(C[n+]1cccc2ccccc21)=N\[O-]	mol31645	CCCCOC(=O)/C(C[n+]1cccc2ccccc21)=N\O