[
  {
    "molid": "mol24612",
    "smiles": "Cc1cc(C2=CC3CCC2N3C)on1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C2=C[C@@H]3CC[C@H]2N3C)on1",
        "std_free_energy": -4.442858695983887,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(C2=C[C@@H]3CC[C@H]2[NH+]3C)on1",
        "std_free_energy": -7.0934624671936035,
        "relative_population": 0.9860891988825855
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]