[
  {
    "molid": "mol35877",
    "smiles": "CCOC(=O)c1cc(C)nc(C)c1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1cc(C)[nH+]c(C)c1C(=O)[O-]",
        "std_free_energy": -6.033958435058594,
        "relative_population": 0.6709014519407642
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCOC(=O)c1cc(C)nc(C)c1C(=O)O",
        "std_free_energy": -5.321693420410156,
        "relative_population": 0.3290985480592357
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1cc(C)nc(C)c1C(=O)[O-]",
        "std_free_energy": -10.329654693603516,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.67999982833862,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]