[
  {
    "molid": "mol9546",
    "smiles": "O=C1C[C@@H](C(=O)O)[C@H](C(=O)O)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@@H](C(=O)O)[C@H](C(=O)O)O1",
        "std_free_energy": 2.700544834136963,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C[C@@H](C(=O)[O-])[C@H](C(=O)O)O1",
        "std_free_energy": -7.1700615882873535,
        "relative_population": 0.3083387938200331
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C[C@@H](C(=O)O)[C@H](C(=O)[O-])O1",
        "std_free_energy": -7.977958679199219,
        "relative_population": 0.691661206179967
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C[C@@H](C(=O)[O-])[C@H](C(=O)[O-])O1",
        "std_free_energy": -14.860340118408203,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.13000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.95,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]