[
  {
    "molid": "mol35654",
    "smiles": "CCN(CC)c1ccc(P(=O)(O)OC)c(N(CC)CC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)c1cc([NH+](CC)CC)ccc1[P@](=O)([O-])OC",
        "std_free_energy": -10.730143547058105,
        "relative_population": 0.20567579739017863
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CCN(CC)c1ccc([P@](=O)([O-])OC)c([NH+](CC)CC)c1",
        "std_free_energy": -12.081331253051758,
        "relative_population": 0.794321932788194
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCN(CC)c1ccc([P@](=O)([O-])OC)c(N(CC)CC)c1",
        "std_free_energy": -5.240556240081787,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]