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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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204720 80000028 1 BrSN2O3H9C14 ABC2D3E9F14 1.43 7.63 -9.68 -1.72 0
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204721 80000131 1 NO3C17H27 AB3C17D27 -178.66 6.56 -9.64 0.6 0
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204722 80000132 1 NO3C17H27 AB3C17D27 -178.98 3.21 -9.9 0.41 0
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204723 80000147 1 NO2C18H31 AB2C18D31 -149.53 3.03 -9.34 1.26 0
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204724 80000315 1 NO2C18H29 AB2C18D29 -129.34 3.91 -9.34 0.96 0
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204725 80000919 1 FN2C13H15 AB2C13D15 -6.45 3.4 -8.92 -0.15 0
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204726 80001166 1 ON2C13H18 AB2C13D18 -21.91 2.06 -8.99 -0.22 0
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204727 80001167 1 ON2C17H26 AB2C17D26 -39.4 3.2 -9.01 -0.24 0
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204728 80001168 1 ON2C17H26 AB2C17D26 -39.14 2.2 -8.97 -0.21 0
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204729 80001218 1 BrN3H10C14 AB3C10D14 108.36 3.47 -9.29 -0.92 0
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204730 80001726 1 ClFN4H8C13 ABC4D8E13 75.68 2.18 -9.29 -1.68 0
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204731 80001829 1 ON2C15H20 AB2C15D20 -18.8 1.74 -8.9 -0.28 0
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204732 80001830 2 NOC8H8 ABC8D8 -12.28 3.09 -8.19 -0.55 0
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204733 80001836 1 N2O2C13H16 A2B2C13D16 -48.86 4.1 -9.25 -0.57 0
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204734 80001976 1 BrClNSO5H9C12 ABCDE5F9G12 -137.46 3.52 -10.37 -1.5 0
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204735 80001977 1 SN2O5C13H14 AB2C5D13E14 -138.95 7.51 -10.2 -0.95 0
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204736 80001978 1 SN2O5C13H14 AB2C5D13E14 -137.91 3.13 -10.37 -1.11 0
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204737 80002055 1 N2O4C15H18 A2B4C15D18 -153.04 4.95 -8.64 0.15 0
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204738 80002056 1 N2O4C15H20 A2B4C15D20 -178.46 3.92 -8.95 0.1 0
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204739 80002057 1 FN2O4C14H17 AB2C4D14E17 -212.87 4.67 -9.17 -0.32 0
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204740 80002058 1 N3O5C13H23 A3B5C13D23 -227.14 4.31 -9.08 0.45 0
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204741 80002586 1 N3O5C13H17 A3B5C13D17 -187.88 2.69 -9.95 -1.13 0
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204742 80002650 1 N2O2F3C14H17 A2B2C3D14E17 -234.96 3.21 -9.6 -0.82 0
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204743 80002651 1 N2O2F3H13C14 A2B2C3D13E14 -187.01 2.95 -9.75 -0.6 0
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204744 80003180 1 N2O2F3C12H17 A2B2C3D12E17 -225.23 4.75 -9.63 -0.51 0