[
  {
    "molid": "mol14611",
    "smiles": "CCCCCCCCCCNCCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCCCC[NH2+]CCC(=O)[O-]",
        "std_free_energy": -11.964813232421875,
        "relative_population": 0.999991936399225
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCCCCCC[NH2+]CCC(=O)O",
        "std_free_energy": -5.1463751792907715,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCCCCNCCC(=O)[O-]",
        "std_free_energy": -3.0481481552124023,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.6000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.5699999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]