pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.86	AttenGpKa training set	1	0	COCC[NH+](CCOC)CCOC	COCCN(CCOC)CCOC	mol24440	COCCN(CCOC)CCOC