pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	AttenGpKa training set	1	0	C1COCC[NH+]2CCOCCN(CCO1)CCOCC2	C1COCCN2CCOCCN(CCO1)CCOCC2	mol24676	C1COCCN2CCOCCN(CCO1)CCOCC2
10.64	AttenGpKa training set	1	0	C1COCC[NH+]2CCOCCN(CCO1)CCOCC2	C1COCCN2CCOCCN(CCO1)CCOCC2	mol24676	C1COCCN2CCOCCN(CCO1)CCOCC2