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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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292750 117358016 1 ON2C15H18 AB2C15D18 4.91 2.67 -9.22 -0.69 0
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292751 117358044 1 ON2C15H18 AB2C15D18 2.7 2.62 -8.96 -0.67 0
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292752 117358123 1 ON2C15H18 AB2C15D18 14.6 2.03 -8.94 -0.54 0
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292753 117358152 2 N2C7H9 A2B7C9 87.07 1.96 -9.07 -0.55 0
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292754 117358153 2 N2C7H9 A2B7C9 89.99 1.86 -9.42 -0.34 0
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292755 117358157 2 N2C7H9 A2B7C9 64.19 4.55 -9.37 -0.8 0
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292756 117358163 2 N2C7H9 A2B7C9 71.44 5.5 -9.39 -0.82 0
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292757 117358173 2 N2C7H9 A2B7C9 54.97 3.48 -8.1 0.17 0
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292758 117358234 2 N2C7H9 A2B7C9 62.44 4.5 -9.13 -0.73 0
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292759 117358245 2 N2C7H9 A2B7C9 69.79 3.05 -9.06 -0.53 0
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292760 117358254 2 N2C7H9 A2B7C9 77.38 4.35 -8.51 0.16 0
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292761 117358271 1 SO3C12H18 AB3C12D18 -135.37 6.5 -9.76 -0.46 0
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292762 117358324 1 SN2O2C11H18 AB2C2D11E18 -77.14 4.23 -8.85 0.11 0
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292763 117358366 2 NC8H11 AB8C11 5.49 4.03 -8.07 0.26 0
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292764 117358369 2 NC8H11 AB8C11 13.44 3.81 -7.99 0.2 0
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292765 117358372 2 NC8H11 AB8C11 7.49 2.88 -8.04 0.32 0
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292766 117358424 1 ClFN2O2H8C10 ABC2D2E8F10 -58.48 3.41 -9.29 -0.75 0
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292767 117358436 1 ClFN2O2H8C10 ABC2D2E8F10 -44.38 4.77 -8.98 -0.76 0
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292768 117358455 1 ClFN2O2H8C10 ABC2D2E8F10 -50.83 3.05 -8.72 -0.66 0
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292769 117358456 1 ClFN2O2H8C10 ABC2D2E8F10 -46.2 3.71 -8.79 -0.66 0
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292770 117358466 1 ClFN2O2H8C10 ABC2D2E8F10 -47.68 5.31 -9.11 -1.0 0
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292771 117358467 1 ClFN2O2H8C10 ABC2D2E8F10 -41.63 4.83 -9.22 -1.14 0
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292772 117358470 1 ClFN2O2H8C10 ABC2D2E8F10 -41.2 4.16 -9.21 -1.03 0
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292773 117358479 1 ClFN2O2H8C10 ABC2D2E8F10 -41.05 2.49 -9.17 -1.12 0
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292774 117358482 1 ClFN2O2H8C10 ABC2D2E8F10 -45.84 4.48 -9.41 -0.81 0
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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