[
  {
    "molid": "mol31556",
    "smiles": "CCCNC(C)(C)/C(C)=N/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCNC(C)(C)/C(C)=N/O",
        "std_free_energy": -4.0789337158203125,
        "relative_population": 0.6444676946841207
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCC[NH2+]C(C)(C)/C(C)=N/[O-]",
        "std_free_energy": -3.4841251373291016,
        "relative_population": 0.35553230531587926
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCC[NH2+]C(C)(C)/C(C)=N/O",
        "std_free_energy": -9.407796859741211,
        "relative_population": 0.9980602525307485
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]