[
  {
    "molid": "mol36182",
    "smiles": "O=C(O)CNC(=O)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CNC(=O)c1ccccn1",
        "std_free_energy": -4.75747537612915,
        "relative_population": 0.7978101793532002
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])CNC(=O)c1cccc[nH+]1",
        "std_free_energy": -3.3848116397857666,
        "relative_population": 0.20218982064679972
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CNC(=O)c1ccccn1",
        "std_free_energy": -11.82278823852539,
        "relative_population": 0.9999646815344153
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.84999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]