[
  {
    "molid": "mol32190",
    "smiles": "NC(Cc1cc(O)no1)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@@H](Cc1cc(O)no1)C(=O)[O-]",
        "std_free_energy": -10.22309684753418,
        "relative_population": 0.9985194361167553
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@@H](Cc1cc(O)no1)C(=O)O",
        "std_free_energy": -0.2460833191871643,
        "relative_population": 0.9188119845529537
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[C@@H](Cc1cc(O)no1)C(=O)[O-]",
        "std_free_energy": -7.32900333404541,
        "relative_population": 0.41678524213497875
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@@H](Cc1cc([O-])no1)C(=O)[O-]",
        "std_free_energy": -7.652326583862305,
        "relative_population": 0.5758771358249812
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N[C@@H](Cc1cc([O-])no1)C(=O)[O-]",
        "std_free_energy": -0.7537792325019836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.81,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]