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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293900 117414002 1 ClNSO4C9H10 ABCD4E9F10 -154.89 5.96 -9.37 -1.14 0
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293901 117414029 1 ClNF3C12H13 ABC3D12E13 -142.59 0.84 -9.09 -0.9 0
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293902 117414122 1 ClON3C13H14 ABC3D13E14 19.08 4.16 -8.5 -0.72 0
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293903 117414200 1 ClN3C14H18 AB3C14D18 34.12 2.58 -8.47 -0.19 0
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293904 117414363 1 BrFNO2C9H11 ABCD2E9F11 -78.32 2.58 -9.12 -0.36 0
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293905 117414483 1 F3O4C11H11 A3B4C11D11 -292.19 2.59 -9.6 -0.82 0
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293906 117414504 1 F3O4C11H11 A3B4C11D11 -304.59 4.04 -9.76 -1.02 0
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293907 117414505 1 F3O4C11H11 A3B4C11D11 -323.59 6.2 -9.56 -0.93 0
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293908 117415133 1 O4C15H20 A4B15C20 -164.93 4.13 -8.77 -0.09 0
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293909 117415701 1 N2O2C15H24 A2B2C15D24 -68.29 4.12 -8.51 0.46 0
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293910 117415728 1 N2O2C15H24 A2B2C15D24 -63.41 2.57 -8.39 0.27 0
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293911 117415738 1 N2O2C15H24 A2B2C15D24 -65.2 3.75 -8.39 0.34 0
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293912 117415793 1 N2O2C15H24 A2B2C15D24 -75.63 2.73 -8.25 0.38 0
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293913 117415853 1 N2O2C15H24 A2B2C15D24 -75.17 4.1 -7.86 0.53 0
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293914 117415964 1 O2C17H28 A2B17C28 -121.16 3.2 -8.79 0.13 0
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293915 117415965 1 O2C17H28 A2B17C28 -119.79 2.93 -8.74 0.22 0
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293916 117415981 1 BrClFNOH4C8 ABCDEF4G8 -46.94 2.76 -10.14 -1.19 0
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293917 117416009 1 ClF2O4H7C10 AB2C4D7E10 -234.58 3.41 -9.98 -1.52 0
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293918 117416169 1 ClN2O2C13H13 AB2C2D13E13 6.58 1.75 -8.98 -0.85 0
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293919 117416191 1 ClO3H13C14 AB3C13D14 -113.27 5.54 -8.88 -0.96 0
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293920 117416195 1 ClN2O2C13H13 AB2C2D13E13 -13.2 5.17 -8.77 -0.7 0
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293921 117416301 1 ClN2C15H21 AB2C15D21 23.04 2.87 -8.73 -0.08 0
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293922 117416303 1 ClN2C15H21 AB2C15D21 18.75 4.48 -8.49 0.05 0
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293923 117416305 1 ClN2C15H21 AB2C15D21 13.15 2.92 -8.74 0.11 0
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293924 117416482 1 FCl2O2C11H11 AB2C2D11E11 -147.01 2.96 -9.99 -0.91 0
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293925 117416483 1 FCl2O2C11H11 AB2C2D11E11 -147.19 3.19 -9.85 -1.06 0
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293926 117416749 1 NO5C13H15 AB5C13D15 -197.09 2.88 -9.0 -0.6 0
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293927 117416765 1 NO3H11C16 AB3C11D16 -5.63 4.4 -9.49 -1.37 0
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293928 117416767 1 NO3H11C16 AB3C11D16 -9.29 5.89 -9.57 -1.32 0
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293929 117417042 1 NO4C14H19 AB4C14D19 -133.26 6.36 -9.02 -0.83 0
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293930 117417132 1 NO4C14H19 AB4C14D19 -156.76 5.74 -8.97 -0.38 0
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293931 117417249 1 NO4C14H19 AB4C14D19 -170.28 1.68 -8.88 -0.69 0
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293932 117417257 1 NO4C14H19 AB4C14D19 -153.02 4.55 -8.89 -0.14 0
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293933 117417336 1 FNO2C15H20 ABC2D15E20 -120.16 3.34 -8.65 0.1 0
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293934 117417400 1 FNO2C15H20 ABC2D15E20 -131.06 7.61 -9.24 -0.15 0
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293935 117417402 1 FNO2C15H20 ABC2D15E20 -106.06 5.79 -9.1 -0.28 0
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293936 117417628 1 NO3C15H23 AB3C15D23 -113.33 1.92 -8.5 0.25 0
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293937 117418010 1 NSO2C14H19 ABC2D14E19 -43.81 6.34 -9.02 -0.42 0
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293938 117418272 1 ClNF2O3C10H10 ABC2D3E10F10 -195.53 4.78 -9.61 -0.87 0
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293939 117418302 1 ClNOF3C11H11 ABCD3E11F11 -185.14 6.43 -9.21 -0.5 0
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293940 117418303 1 ClNSF2O2H6C9 ABCD2E2F6G9 -139.48 7.46 -9.35 -1.3 0
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293941 117418326 1 ClNO3H12C13 ABC3D12E13 -62.01 2.73 -8.97 -1.21 0
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293942 117418329 1 ClNO3H12C13 ABC3D12E13 -74.02 4.15 -9.07 -0.67 0
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293943 117418443 1 ClO2N3C12H12 AB2C3D12E12 -29.44 3.46 -8.88 -0.78 0
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293944 117418505 1 ClON3C13H16 ABC3D13E16 1.47 4.86 -8.77 -0.29 0
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293945 117418637 1 ClNO2C14H16 ABC2D14E16 -56.43 3.66 -9.11 -0.42 0
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293946 117418768 1 ClNOC15H20 ABCD15E20 -35.24 2.53 -9.14 -0.12 0
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293947 117418824 1 ClNOC15H20 ABCD15E20 -17.56 2.65 -9.03 -0.22 0
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293948 117418969 1 BrNF2O2H6C8 ABC2D2E6F8 -138.49 3.57 -9.7 -1.3 0
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293949 117419681 1 N2O4C13H18 A2B4C13D18 -160.19 2.12 -9.12 -0.14 0