[
  {
    "molid": "mol13407",
    "smiles": "CC(=O)N1CCc2noc(O)c2CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N1CCc2noc(O)c2CC1",
        "std_free_energy": -3.7409374713897705,
        "relative_population": 0.9941499410102888
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)N1CCc2noc([O-])c2CC1",
        "std_free_energy": -9.328271865844727,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.3000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]