[
  {
    "molid": "mol32974",
    "smiles": "CCC(C(=O)O)C(CC)(CC)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H](C(=O)O)C(CC)(CC)C(=O)O",
        "std_free_energy": -2.9623451232910156,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@H](C(=O)O)C(CC)(CC)C(=O)[O-]",
        "std_free_energy": -8.072585105895996,
        "relative_population": 0.25526732542234165
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@H](C(=O)[O-])C(CC)(CC)C(=O)O",
        "std_free_energy": -9.143299102783203,
        "relative_population": 0.7447326745776583
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.74000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]