[
  {
    "molid": "mol34239",
    "smiles": "O=P(O)(O)CN(Cc1ccccc1)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)C[NH+](Cc1ccccc1)CP(=O)([O-])O",
        "std_free_energy": -11.331306457519531,
        "relative_population": 0.4336540800207158
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      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=P([O-])(O)CN(Cc1ccccc1)CP(=O)(O)O",
        "std_free_energy": -11.506922721862793,
        "relative_population": 0.5169072355054019
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      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=P([O-])([O-])C[NH+](Cc1ccccc1)CP(=O)([O-])O",
        "std_free_energy": -13.432601928710938,
        "relative_population": 0.745084591859947
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      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=P([O-])(O)CN(Cc1ccccc1)CP(=O)([O-])O",
        "std_free_energy": -11.856825828552246,
        "relative_population": 0.15411848009728807
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=P([O-])([O-])CN(Cc1ccccc1)CP(=O)(O)O",
        "std_free_energy": -11.432211875915527,
        "relative_population": 0.10079691048921922
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.59000015258789,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]