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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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212845 81062008 1 ON3C11H21 AB3C11D21 -0.56 3.81 -8.91 1.15 0
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212846 81062009 1 ON3C11H23 AB3C11D23 -36.56 3.2 -9.04 0.93 0
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212847 81062010 1 ON3C12H25 AB3C12D25 -45.35 3.3 -8.99 0.96 0
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212848 81062014 1 N2O3C11H24 A2B3C11D24 -156.1 5.51 -8.91 0.93 0
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212849 81062015 1 O2N3C12H19 A2B3C12D19 -69.87 4.42 -7.81 -0.22 0
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212850 81062020 1 N3O3C13H21 A3B3C13D21 -112.15 0.92 -8.62 -0.68 0
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212851 81062021 1 N2O3C14H30 A2B3C14D30 -158.64 1.45 -8.74 0.77 0
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212852 81062023 1 N2O3C14H28 A2B3C14D28 -120.57 1.91 -8.72 0.67 0
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212853 81062024 1 N2O3C14H30 A2B3C14D30 -155.24 2.36 -8.5 1.12 0
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212854 81062025 1 O2N3C11H25 A2B3C11D25 -110.75 4.16 -8.83 1.35 0
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212855 81062028 2 NO2C7H9 AB2C7D9 -123.75 8.41 -9.84 -1.17 0
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212856 81062029 1 N2O3C14H30 A2B3C14D30 -157.01 3.15 -8.65 0.76 0
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212857 81062031 1 N2O3C15H28 A2B3C15D28 -94.97 2.35 -8.89 1.05 0
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212858 81062032 1 N2O3C15H32 A2B3C15D32 -175.48 4.32 -8.97 0.75 0
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212859 81062033 1 O2N3C14H31 A2B3C14D31 -124.74 4.3 -8.72 1.12 0
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212860 81062034 1 N2O3C13H28 A2B3C13D28 -164.54 2.21 -8.91 0.79 0
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212861 81062036 1 SN2O3C13H22 AB2C3D13E22 -117.75 6.65 -9.0 -0.26 0
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212862 81062037 1 N2O3C14H28 A2B3C14D28 -129.81 1.8 -8.94 0.6 0
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212863 81062038 1 SN2O3C12H20 AB2C3D12E20 -111.52 4.83 -8.58 -0.13 0
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212864 81062044 2 NO2C7H13 AB2C7D13 -206.11 6.23 -9.67 0.64 0
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212865 81062045 1 ClOSN2C11H19 ABCD2E11F19 -37.17 2.03 -9.07 -0.64 0
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212866 81062055 1 ClON3C10H16 ABC3D10E16 -17.89 5.66 -9.25 -0.62 0
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212867 81062060 1 BrON2C11H17 ABC2D11E17 -32.94 3.17 -8.68 -0.19 0
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212868 81062069 1 SN2O4C12H18 AB2C4D12E18 -142.41 2.53 -9.48 -0.9 0
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212869 81062073 1 N2O2C15H24 A2B2C15D24 -88.27 3.63 -8.4 0.42 0