[
  {
    "molid": "mol1251",
    "smiles": "CC1CCN([C@@H](C)C=C(c2cccs2)c2cccs2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1CCN([C@@H](C)C=C(c2cccs2)c2cccs2)CC1",
        "std_free_energy": -3.8518428802490234,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1CC[NH+]([C@@H](C)C=C(c2cccs2)c2cccs2)CC1",
        "std_free_energy": -7.817217826843262,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]