[
  {
    "molid": "mol37159",
    "smiles": "O=P(O)(O)CN1CCCNCCNCCCNCC1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])([O-])CN1CCCNCCNCCC[NH2+]CC1",
        "std_free_energy": -11.461151123046875,
        "relative_population": 0.09098806265003175
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=P([O-])([O-])CN1CCC[NH2+]CCNCCCNCC1",
        "std_free_energy": -12.886561393737793,
        "relative_population": 0.3784706734631811
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "O=P([O-])([O-])CN1CCCNCC[NH2+]CCCNCC1",
        "std_free_energy": -13.155797004699707,
        "relative_population": 0.4954043014974306
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])CN1CCCNCCNCCCNCC1",
        "std_free_energy": -0.8069915175437927,
        "relative_population": 0.9999984369228051
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.4899997711182,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]