[
  {
    "molid": "mol15282",
    "smiles": "CN1CCCN(C)c2cccc3cccc1c23",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCCN(C)c2cccc3cccc1c23",
        "std_free_energy": -1.487555742263794,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1CCC[NH+](C)c2cccc3cccc1c23",
        "std_free_energy": -10.596649169921875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.2700004577637,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]