[
  {
    "molid": "mol35137",
    "smiles": "CCC(C)ONC(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H](C)O[NH2+][C@H](C)C(=O)[O-]",
        "std_free_energy": -3.714770793914795,
        "relative_population": 0.573566389419707
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[C@H](C)ON[C@H](C)C(=O)O",
        "std_free_energy": -3.418353796005249,
        "relative_population": 0.4264336105802931
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@H](C)O[NH2+][C@H](C)C(=O)O",
        "std_free_energy": 2.3774666786193848,
        "relative_population": 0.7167963146401173
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[C@H](C)ON[C@H](C)C(O)=[OH+]",
        "std_free_energy": 3.3060920238494873,
        "relative_population": 0.28320368535988266
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.05999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]