[
  {
    "molid": "mol1670",
    "smiles": "CCOc1ccc(OCC)c(N)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc(OCC)c(N)c1",
        "std_free_energy": -6.016624927520752,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1ccc(OCC)c([NH3+])c1",
        "std_free_energy": -0.21166378259658813,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.94,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]