[
  {
    "molid": "mol36580",
    "smiles": "COC(=O)C=C(O)c1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)C=C([O-])c1ccc[nH+]c1",
        "std_free_energy": -1.1190959215164185,
        "relative_population": 0.16823814936108955
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COC(=O)C=C(O)c1cccnc1",
        "std_free_energy": -2.717261552810669,
        "relative_population": 0.8317618506389105
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)C=C([O-])c1cccnc1",
        "std_free_energy": -0.8072280883789062,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.15999984741211,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]