[
  {
    "molid": "mol8602",
    "smiles": "CC1C(O)=C(C=O)C(CO)=CN1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1C(O)=C(C=O)C(CO)=CN1C",
        "std_free_energy": -5.139401435852051,
        "relative_population": 0.13924640180415124
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H]1C([O-])=C(C=O)C(CO)=C[NH+]1C",
        "std_free_energy": -6.960964679718018,
        "relative_population": 0.8607535981958488
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H]1C([O-])=C(C=O)C(CO)=CN1C",
        "std_free_energy": -2.1314618587493896,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]