[
  {
    "molid": "mol16189",
    "smiles": "CCOP(=O)(OCC)c1ccc(-c2cc(O)on2)o1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCOP(=O)(OCC)c1ccc(-c2cc(O)on2)o1",
        "std_free_energy": -2.914965867996216,
        "relative_population": 0.9980899663205064
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOP(=O)(OCC)c1ccc(-c2cc([O-])on2)o1",
        "std_free_energy": -9.634557723999023,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]