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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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287000 104231679 1 BrN2O2C12H13 AB2C2D12E13 -17.62 5.94 -9.4 -0.68 0
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287001 104231680 1 BrN2O2C12H13 AB2C2D12E13 -16.43 5.87 -9.12 -0.69 0
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287002 104231681 1 N2O2C15H20 A2B2C15D20 -48.71 3.34 -8.99 -0.38 0
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287003 104231682 1 N2O2C15H20 A2B2C15D20 -49.63 4.81 -8.92 -0.28 0
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287004 104231683 1 N2O2C15H20 A2B2C15D20 -49.47 3.06 -8.89 -0.22 0
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287005 104231684 2 NOC8H11 ABC8D11 -54.3 4.8 -8.95 -0.28 0
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287006 104231685 2 NOC8H11 ABC8D11 -50.64 3.98 -8.9 -0.3 0
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287007 104231686 2 NOC8H11 ABC8D11 -54.22 3.01 -8.92 -0.22 0
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287008 104231687 1 O2N3C13H17 A2B3C13D17 -33.04 4.8 -9.31 -0.44 0
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287009 104231688 2 NOC7H9 ABC7D9 -44.21 3.12 -9.35 -0.62 0
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287010 104231689 1 N2O2F3C13H13 A2B2C3D13E13 -182.21 7.93 -9.54 -0.85 0
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287011 104231690 1 N2O2F3C13H13 A2B2C3D13E13 -182.67 7.0 -9.52 -0.75 0
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287012 104231691 1 N2O2F3C13H13 A2B2C3D13E13 -181.19 5.11 -10.02 -0.96 0
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287013 104231692 2 NOC8H8 ABC8D8 -4.67 4.42 -8.85 -0.57 0
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287014 104231693 2 NOC8H8 ABC8D8 -4.34 3.33 -8.82 -0.47 0
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287015 104231694 2 NOC8H8 ABC8D8 -4.25 4.81 -8.78 -0.52 0
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287016 104231695 1 ClN2O2C14H17 AB2C2D14E17 -47.69 2.38 -9.16 -0.58 0
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287017 104231696 1 ClN2O2C14H17 AB2C2D14E17 -47.69 2.38 -9.16 -0.58 0
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287018 104231697 1 ClN2O2C14H17 AB2C2D14E17 -49.32 4.22 -9.05 -0.4 0
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287019 104231698 1 BrN2O2C14H17 AB2C2D14E17 -38.16 2.43 -9.29 -0.59 0
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287020 104231699 1 BrN2O2C14H17 AB2C2D14E17 -38.15 2.44 -9.29 -0.59 0
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287021 104231700 1 BrN2O2C14H17 AB2C2D14E17 -34.02 3.21 -9.2 -0.53 0
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287022 104231701 2 NOC7H9 ABC7D9 -48.02 3.53 -8.94 -0.58 0
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287023 104231702 2 NOC7H9 ABC7D9 -40.87 7.35 -8.64 -0.49 0
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287024 104231703 2 NOC7H9 ABC7D9 -51.27 5.49 -8.8 -0.43 0