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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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292775 117358485 1 ClO4C11H11 AB4C11D11 -146.15 3.85 -9.7 -1.37 0
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292776 117358497 1 ClO4C11H11 AB4C11D11 -147.0 2.75 -9.64 -1.35 0
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292777 117358498 1 ClO4C11H11 AB4C11D11 -144.4 4.54 -9.49 -1.23 0
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292778 117358562 1 ClO4C11H11 AB4C11D11 -151.13 5.47 -9.2 -0.62 0
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292779 117358590 1 ClFO2C12H12 ABC2D12E12 -120.07 4.48 -9.54 -0.66 0
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292780 117358607 1 ClFO2C12H12 ABC2D12E12 -130.95 2.93 -9.92 -0.78 0
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292781 117358637 1 ClO3C12H15 AB3C12D15 -124.21 2.28 -8.84 -0.1 0
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292782 117358648 1 ClO3C12H15 AB3C12D15 -129.17 4.57 -8.79 -0.12 0
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292783 117358722 1 ClO3C12H15 AB3C12D15 -96.73 5.49 -8.98 -0.4 0
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292784 117358750 1 ClO3C12H15 AB3C12D15 -102.48 2.12 -8.84 -0.25 0
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292785 117358754 1 ClO3C12H15 AB3C12D15 -106.48 6.0 -8.9 -0.26 0
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292786 117358761 1 ClO3C12H15 AB3C12D15 -122.7 2.63 -8.29 -0.05 0
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292787 117358829 1 ClO3C12H15 AB3C12D15 -146.47 5.53 -9.38 -0.35 0
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292788 117358833 1 ClO3C12H15 AB3C12D15 -128.52 2.6 -9.55 -0.4 0
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292789 117358844 1 ClO3C12H15 AB3C12D15 -128.04 1.93 -8.92 -0.21 0
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292790 117358850 1 ClO3C12H15 AB3C12D15 -127.2 3.64 -8.78 -0.27 0
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292791 117358857 1 ClO3C12H15 AB3C12D15 -118.54 3.35 -8.9 -0.14 0
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292792 117358869 1 ClN2O2C11H15 AB2C2D11E15 -73.96 6.75 -9.16 -0.58 0
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292793 117358870 1 ClO3C12H15 AB3C12D15 -106.95 2.53 -8.62 0.04 0
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292794 117358878 1 ClN2O2C11H15 AB2C2D11E15 -35.61 2.11 -8.74 -0.19 0
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292795 117358939 1 ClO2C13H19 AB2C13D19 -101.04 2.21 -8.78 -0.14 0
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292796 117358947 1 ClO2C13H19 AB2C13D19 -108.49 3.06 -8.81 -0.09 0
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292797 117358981 1 BrO3H7C9 AB3C7D9 -89.99 4.95 -10.02 -1.71 0
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292798 117358987 1 BrO2C10H11 AB2C10D11 -40.83 3.64 -9.14 -0.37 0
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292799 117359015 1 BrO2C10H11 AB2C10D11 -55.34 2.04 -9.25 -0.42 0