[
  {
    "molid": "mol9068",
    "smiles": "COCC(=O)NN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCC(=O)NN",
        "std_free_energy": -6.761919975280762,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COCC(=O)N[NH3+]",
        "std_free_energy": 1.0664727687835693,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[CH-]C(=O)NN",
        "std_free_energy": 8.124733924865723,
        "relative_population": 0.19821296578009265
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COCC(=O)[N-]N",
        "std_free_energy": 6.727232933044434,
        "relative_population": 0.8017870342199073
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.14,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.1400003433228,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.76,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]