[
  {
    "molid": "mol24751",
    "smiles": "C[N+](C)([O-])CC[N+](C)(C)O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+](C)([O-])CC[N+](C)(C)O",
        "std_free_energy": -4.748515605926514,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[N+](C)(O)CC[N+](C)(C)O",
        "std_free_energy": -1.1326704025268555,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.7,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]