pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.61	AttenGpKa training set	1	0	CCC(=O)c1ccc(NC(=[OH+])CC)cc1,CCC(=O)Nc1ccc(C(=[OH+])CC)cc1	CCC(=O)Nc1ccc(C(=O)CC)cc1	mol23890	CCC(=O)Nc1ccc(C(=O)CC)cc1