pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.94000005722046	QSARToolbox	1	0	C[NH+]1C[C@@H](C(=O)O)C[C@]2(O)c3cccc4[nH]cc(c34)C[C@@H]12	C[NH+]1C[C@@H](C(=O)[O-])C[C@]2(O)c3cccc4[nH]cc(c34)C[C@@H]12	mol37618	CN1C[C@@H](C(=O)O)C[C@]2(O)c3cccc4[nH]cc(c34)C[C@@H]12