[
  {
    "molid": "mol32732",
    "smiles": "NC(=O)C=C(O)c1ccncc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)C=C([O-])c1cc[nH+]cc1",
        "std_free_energy": -1.342963457107544,
        "relative_population": 0.729951215904794
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)C=C(O)c1ccncc1",
        "std_free_energy": -0.34858837723731995,
        "relative_population": 0.27004878409520605
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)C=C([O-])c1ccncc1",
        "std_free_energy": -0.37627774477005005,
        "relative_population": 0.99858596706059
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.3600001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.3600001335144,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]