[
  {
    "molid": "mol8626",
    "smiles": "CO[C@H]1O[C@H](CN)[C@@H](O)[C@H](N)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@H]1O[C@H](CN)[C@@H](O)[C@H](N)[C@H]1O",
        "std_free_energy": -2.7735602855682373,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CO[C@H]1O[C@H](C[NH3+])[C@@H](O)[C@H](N)[C@H]1O",
        "std_free_energy": -8.203619956970215,
        "relative_population": 0.7040665571719362
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CO[C@H]1O[C@H](CN)[C@@H](O)[C@H]([NH3+])[C@H]1O",
        "std_free_energy": -7.336881637573242,
        "relative_population": 0.29593344282806366
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CO[C@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]([NH3+])[C@H]1O",
        "std_free_energy": -9.722745895385742,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.97,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.28,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]