[
  {
    "molid": "mol13135",
    "smiles": "N[C@H](C(=O)O)[C@H](O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](C(=O)O)[C@H](O)C(=O)[O-]",
        "std_free_energy": -6.307178497314453,
        "relative_population": 0.23212855901236149
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[NH3+][C@H](C(=O)[O-])[C@H](O)C(=O)O",
        "std_free_energy": -7.502652168273926,
        "relative_population": 0.767213425546024
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@H](C(=O)[O-])[C@H](O)C(=O)[O-]",
        "std_free_energy": -14.344521522521973,
        "relative_population": 0.9967650677235609
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N[C@H](C(=O)[O-])[C@H](O)C(=O)[O-]",
        "std_free_energy": -9.130632400512695,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.03999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.75,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]