[
  {
    "molid": "mol32731",
    "smiles": "NC(=O)C=C(O)c1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)C=C(O)c1cccnc1",
        "std_free_energy": 0.24647662043571472,
        "relative_population": 0.41090987848987487
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)C=C([O-])c1ccc[nH+]c1",
        "std_free_energy": -0.11372864246368408,
        "relative_population": 0.5890901215101251
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)C=C([O-])c1cccnc1",
        "std_free_energy": 0.2791914939880371,
        "relative_population": 0.9998402621858076
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0100002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.01000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]