pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.79	AttenGpKa training set	1	0	CCC#CC(C)(C)[NH+](C)C	CCC#CC(C)(C)N(C)C	mol5931	CCC#CC(C)(C)N(C)C