[
  {
    "molid": "mol32733",
    "smiles": "NC(=O)C=C(O)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)C=C([O-])c1cccc[nH+]1",
        "std_free_energy": 0.7947266697883606,
        "relative_population": 0.25410906150882434
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)C=C(O)c1ccccn1",
        "std_free_energy": -0.2820891737937927,
        "relative_population": 0.7458909384911756
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)C=C([O-])c1ccccn1",
        "std_free_energy": 0.30278295278549194,
        "relative_population": 0.9996245038061368
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.2299995,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.22999954223633,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]