[
  {
    "molid": "mol15287",
    "smiles": "O=C1NC(=O)C2(CCOc3ccc(F)cc32)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1",
        "std_free_energy": -5.93005895614624,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-][C@]2(CCOc3ccc(F)cc32)C(=O)N1",
        "std_free_energy": -1.1715340614318848,
        "relative_population": 0.3996829790612979
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[N-]C(=O)[C@@]2(CCOc3ccc(F)cc32)N1",
        "std_free_energy": -1.5783202648162842,
        "relative_population": 0.600317020938702
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.3000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]