[
  {
    "molid": "mol2604",
    "smiles": "N[C@H](Cc1c[nH]c2ccccc12)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]",
        "std_free_energy": -13.126813888549805,
        "relative_population": 0.999980605719906
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]",
        "std_free_energy": -6.470058917999268,
        "relative_population": 0.9999999571055281
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Jensen"
      }
    ]
  }
]