[
  {
    "molid": "mol35610",
    "smiles": "Cc1ccc(P2(=O)NC(=O)NC(=O)N2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(P2(=O)NC(=O)NC(=O)N2)cc1",
        "std_free_energy": -5.015654563903809,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(P2(=O)NC(=O)[N-]C(=O)N2)cc1",
        "std_free_energy": -6.091913223266602,
        "relative_population": 0.5858797469056616
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(P2(=O)[N-]C(=O)NC(=O)N2)cc1",
        "std_free_energy": -5.744955062866211,
        "relative_population": 0.4141202530943385
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.34999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]