[
  {
    "molid": "mol37618",
    "smiles": "CN1C[C@@H](C(=O)O)C[C@]2(O)c3cccc4[nH]cc(c34)C[C@@H]12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+]1C[C@@H](C(=O)[O-])C[C@]2(O)c3cccc4[nH]cc(c34)C[C@@H]12",
        "std_free_energy": -12.016606330871582,
        "relative_population": 0.9999156078852603
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1C[C@@H](C(=O)O)C[C@]2(O)c3cccc4[nH]cc(c34)C[C@@H]12",
        "std_free_energy": -4.2049665451049805,
        "relative_population": 0.9321759594595427
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.94000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]