[
  {
    "molid": "mol24778",
    "smiles": "Cc1ccccc1CC(C)NN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1C[C@@H](C)NN",
        "std_free_energy": -3.6720080375671387,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1C[C@@H](C)[NH2+]N",
        "std_free_energy": -5.58260440826416,
        "relative_population": 0.6686921426419998
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccccc1C[C@@H](C)N[NH3+]",
        "std_free_energy": -4.88032865524292,
        "relative_population": 0.3313078573580002
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]