[
  {
    "molid": "mol35762",
    "smiles": "O=C1NC(=O)NP(=O)(c2ccccc2)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=O)NP(=O)(c2ccccc2)N1",
        "std_free_energy": -4.669146537780762,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1[N-]P(=O)(c2ccccc2)NC(=O)N1",
        "std_free_energy": -6.036686897277832,
        "relative_population": 0.40254153234990553
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[N-]C(=O)NP(=O)(c2ccccc2)N1",
        "std_free_energy": -6.431573390960693,
        "relative_population": 0.5974584676500945
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8899998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]