[
  {
    "molid": "mol767",
    "smiles": "C[N+](C)(C)c1ccc(CC(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[N+](C)(C)c1ccc(CC(=O)[O-])cc1",
        "std_free_energy": -9.499761581420898,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)(C)c1ccc(CC(=O)O)cc1",
        "std_free_energy": -2.0143985748291016,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]