pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.93	AttenGpKa training set	1	0	C[NH+](C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1	CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1	mol24444	CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1