[
  {
    "molid": "mol34307",
    "smiles": "NC(c1ccccc1)P(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+][C@H](c1ccccc1)P(=O)([O-])O",
        "std_free_energy": -10.972373962402344,
        "relative_population": 0.999986080454948
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[NH3+][C@H](c1ccccc1)P(=O)([O-])[O-]",
        "std_free_energy": -14.277881622314453,
        "relative_population": 0.9981439357091509
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "N[C@H](c1ccccc1)P(=O)([O-])[O-]",
        "std_free_energy": -6.46501350402832,
        "relative_population": 0.9999997874343252
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.61999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]