[
  {
    "molid": "mol33104",
    "smiles": "NC(=O)Cc1ccc(P(=O)(O)O)cc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "NC(=O)Cc1ccc(P(=O)([O-])O)cc1",
        "std_free_energy": -12.411225318908691,
        "relative_population": 0.9999991397870498
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "NC(=O)Cc1ccc(P(=O)([O-])[O-])cc1",
        "std_free_energy": -12.087593078613281,
        "relative_population": 0.999998820051757
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]