[
  {
    "molid": "mol28961",
    "smiles": "CN(Cc1ccccc1)P(C)(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(Cc1ccccc1)[P@@](C)(=O)O",
        "std_free_energy": -3.447770357131958,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(Cc1ccccc1)[P@](C)(O)=[OH+]",
        "std_free_energy": 9.63828182220459,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]