[
  {
    "molid": "mol14337",
    "smiles": "O=C(O)CNC(=O)c1cccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CNC(=O)c1cccc(O)c1O",
        "std_free_energy": -3.0048885345458984,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CNC(=O)c1cccc(O)c1O",
        "std_free_energy": -10.035715103149414,
        "relative_population": 0.9958012899160582
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])CNC(=O)c1cccc([O-])c1O",
        "std_free_energy": -6.118274688720703,
        "relative_population": 0.3506288146862909
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])CNC(=O)c1cccc(O)c1[O-]",
        "std_free_energy": -6.734548091888428,
        "relative_population": 0.6493692837119139
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]