[
  {
    "molid": "mol35663",
    "smiles": "CCN(N)P(=O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(N)P(=O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -5.494061470031738,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(N)P(=[OH+])(c1ccccc1)c1ccccc1",
        "std_free_energy": 0.33486902713775635,
        "relative_population": 0.484817837173387
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN([NH3+])P(=O)(c1ccccc1)c1ccccc1",
        "std_free_energy": 0.2741217017173767,
        "relative_population": 0.515182162826613
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.96000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]