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          "molfile": "\n  Marvin  01132101282D          \n\n 26 27  0  0  0  0            999 V2000\n    7.3729   -2.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2014   -2.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7534   -3.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5739   -3.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0588   -4.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8793   -4.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3642   -4.7598    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7259   -5.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6571   -5.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1344   -4.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7140   -3.7582    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8882   -2.9518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5325   -3.8268    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.9259   -3.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3409   -4.3120    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5339   -4.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4477   -3.3199    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    5.7333   -2.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0188   -3.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0188   -4.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3043   -4.5574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5898   -4.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8754   -4.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5898   -3.3199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3043   -2.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3043   -2.0825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  2  0  0  0  0\n  2 17  1  0  0  0  0\n  4  3  1  0  0  0  0\n  3 15  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  7  2  0  0  0  0\n 10  7  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 11  1  0  0  0  0\n 14 11  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 25 19  2  0  0  0  0\n 21 20  2  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  1  0  0  0  0\n 22 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 26 25  1  0  0  0  0\nM  CHG  2  13  -1  17   1\nM  END",
          "smiles": "Cc1c(CCOP(=O)(O)OP(=O)(O)[O-])sc[n+]1Cc2cnc(C)nc2N",
          "formula": "C12H18N4O7P2S",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "ced63249-ef42-471f-9a1f-31ab03766067"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "424.308",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "bbdc8fce-5902-43da-bfec-e028c2645c52",
      "version": "14",
      "structure": {
        "id": "aeaa3cc4-2f70-4738-b710-c54c2a17c86b",
        "molfile": "\n  Marvin  01132109042D          \n\n 27 27  0  0  0  0            999 V2000\n    5.9804   -1.9067    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    6.4477   -3.3199    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    7.2014   -2.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7534   -3.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5739   -3.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0588   -4.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8793   -4.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3642   -4.7598    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1344   -4.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7140   -3.7582    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9259   -3.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5325   -3.8268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8882   -2.9518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6571   -5.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7259   -5.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3409   -4.3120    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5339   -4.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3729   -2.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7333   -2.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0188   -3.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3043   -2.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5898   -3.3199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5898   -4.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3043   -4.5574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0188   -4.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8754   -4.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3043   -2.0825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  2  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  2  0  0  0  0\n 12 10  1  0  0  0  0\n 13 10  1  0  0  0  0\n 14  8  2  0  0  0  0\n 15  8  1  0  0  0  0\n  4 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17  2  2  0  0  0  0\n 18  3  1  0  0  0  0\n 19  2  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  2  0  0  0  0\n 23 22  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25 20  2  0  0  0  0\n 26 23  1  0  0  0  0\n 27 21  1  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END",
        "smiles": "Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc[n+]1Cc2cnc(C)nc2N.[Cl-]",
        "formula": "C12H19N4O7P2S.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "460.7689",
        "optical_activity": "NONE",
        "references": [
          "97590629-ef91-4dee-846b-a462d6d57109",
          "ed087941-5454-4828-90ad-7e444c39f79c"
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        "stereo_centers": 0
      },
      "unii": "XMK8K8EVIU"
    }
  ]
}