[
  {
    "molid": "mol25754",
    "smiles": "CN(C)c1cc[n+](C)c(O)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)c1cc[n+](C)c([O-])n1",
        "std_free_energy": -6.415741920471191,
        "relative_population": 0.999989264677339
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1cc[n+](C)c(O)n1",
        "std_free_energy": -1.518438696861267,
        "relative_population": 0.9995869619312214
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]