[
  {
    "molid": "mol2018",
    "smiles": "C[N+](C)(C)c1cccc(CC(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+](C)(C)c1cccc(CC(=O)[O-])c1",
        "std_free_energy": -9.851242065429688,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)c1cccc(CC(=O)O)c1",
        "std_free_energy": -1.785700798034668,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]