[
  {
    "molid": "mol35421",
    "smiles": "CCCCP(=O)(CCCC)C(O)c1ccc(N(C)C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCP(=O)(CCCC)[C@@H](O)c1ccc(N(C)C)cc1",
        "std_free_energy": -6.2155866622924805,
        "relative_population": 0.9999969095478358
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCP(=O)(CCCC)[C-](O)c1ccc(N(C)C)cc1",
        "std_free_energy": 5.871607780456543,
        "relative_population": 0.5232360533359994
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCP(=O)(CCCC)[C@@H]([O-])c1ccc(N(C)C)cc1",
        "std_free_energy": 6.54379940032959,
        "relative_population": 0.2671582253474295
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCC[CH-]P(=O)(CCCC)[C@@H](O)c1ccc(N(C)C)cc1",
        "std_free_energy": 6.786412239074707,
        "relative_population": 0.2096057213165709
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.3599996566772,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]