[
  {
    "molid": "mol35677",
    "smiles": "CCNCCC(O)(P(=O)(O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH2+]CCC(O)(P(=O)([O-])O)P(=O)(O)O",
        "std_free_energy": -8.769583702087402,
        "relative_population": 0.9933323024615519
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[NH2+]CCC(O)(P(=O)([O-])[O-])P(=O)(O)O",
        "std_free_energy": -11.84914493560791,
        "relative_population": 0.2891903384938063
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC[NH2+]CCC(O)(P(=O)([O-])O)P(=O)([O-])O",
        "std_free_energy": -12.74520206451416,
        "relative_population": 0.7084944395751731
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.49000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]