[
  {
    "molid": "mol30628",
    "smiles": "CCN(CC)c1ccc(C=O)c(O)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCN(CC)c1ccc(C=O)c(O)c1",
        "std_free_energy": -6.452106475830078,
        "relative_population": 0.9955632228503382
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN(CC)c1ccc(C=O)c([O-])c1",
        "std_free_energy": -1.7449324131011963,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]