[
  {
    "molid": "mol2989",
    "smiles": "O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Nc1nccs1)[C@H](CC1CCCC1)c1ccc(Cl)cc1",
        "std_free_energy": -6.313554763793945,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([N-]c1nccs1)[C@H](CC1CCCC1)c1ccc(Cl)cc1",
        "std_free_energy": -1.4761922359466553,
        "relative_population": 0.9960978974753015
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]