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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405876 135075794 1 BrNSO2C10H18 ABCD2E10F18 -95.12 3.04 -9.61 -0.11 0
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405877 135075808 1 PC5O8H11 AB5C8D11 -408.59 2.46 -10.37 -0.42 0
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405878 135075816 1 ClC12H15 AB12C15 -19.6 3.08 -9.05 0.13 0
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405879 135075818 1 FNO4C11H12 ABC4D11E12 -212.99 4.4 -10.4 -0.96 0
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405880 135075830 1 WO6H28C30 AB6C28D30 106.12 5.26 -6.56 -0.36 0
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405881 135075831 1 OWC25H28 ABC25D28 196.12 6.6 -6.45 0.2 0
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405882 135075833 1 N2O2C13H18 A2B2C13D18 -48.01 4.03 -9.04 0.04 0
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405883 135075836 1 NO3C14H17 AB3C14D17 -98.06 6.42 -9.6 0.16 0
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405884 135075837 2 OC10H18 AB10C18 -123.71 3.11 -9.56 0.4 0
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405885 135075870 1 BO4C23H27 AB4C23D27 -184.28 2.74 -8.66 0.2 0
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405886 135075871 1 FSiC10H13 ABC10D13 -86.69 1.66 -9.11 0.33 0
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405887 135075877 1 ClZnO2C9H9 ABC2D9E9 -99.73 5.72 -10.03 -1.09 0
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405888 135075882 1 IZnC5H11 ABC5D11 4.4 0.35 -9.42 -2.01 0
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405889 135075886 1 BrNO3C17H18 ABC3D17E18 -71.4 4.86 -8.72 -0.27 0
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405890 135075889 1 NSiO2C20H27 ABC2D20E27 -81.24 1.96 -9.26 -0.61 0
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405891 135075890 1 O2C15H18 A2B15C18 -43.95 0.73 -9.15 0.43 0
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405892 135075891 1 BrOC16H17 ABC16D17 -7.79 2.4 -8.89 -0.26 0
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405893 135075892 1 ClINO2C15H19 ABCD2E15F19 -72.57 1.13 -8.79 -1.03 0
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405894 135075893 1 BrNO3C15H18 ABC3D15E18 -107.91 4.7 -8.78 -0.47 0
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405895 135075894 1 ClO2N3H12C19 AB2C3D12E19 55.34 7.39 -9.06 -2.32 0
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405896 135075895 1 ClN2O2H13C17 AB2C2D13E17 -9.57 5.22 -9.66 -0.66 0
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405897 135075896 1 NSF3O4H18C19 ABC3D4E18F19 -238.75 4.49 -9.68 -1.68 0
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405898 135075897 1 SF3O5C19H23 AB3C5D19E23 -337.21 4.53 -9.22 -1.78 0
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405899 135075898 1 SO3C20H22 AB3C20D22 -27.48 6.44 -9.28 -0.67 0
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405900 135075899 1 S2F3N6O6C42H45 A2B3C6D6E42F45 -261.04 8.14 -7.79 -1.5 0
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405901 135075900 1 Cl2N2O2H12C17 A2B2C2D12E17 -18.1 3.8 -9.69 -0.97 0
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405902 135075901 1 NO9C23H29 AB9C23D29 -364.7 3.14 -8.5 -0.56 0
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405903 135075902 1 O2N3H15C20 A2B3C15D20 51.85 9.15 -9.04 -2.08 0
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405904 135075903 1 INSiO2C20H30 ABCD2E20F30 -82.25 4.8 -8.96 -0.79 0
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405905 135075904 1 O2N3H17C21 A2B3C17D21 45.15 9.4 -8.94 -2.06 0
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405906 135075905 1 SSiF3O4C18H29 ABC3D4E18F29 -360.5 3.41 -8.91 -1.42 0
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405907 135075906 1 BrNO3C16H22 ABC3D16E22 -107.25 2.29 -8.24 -0.56 0
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405908 135075907 1 SiS2F3O3C17H21 AB2C3D3E17F21 -265.37 3.26 -8.71 -1.39 0
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405909 135075908 1 SiS2F3O3C21H23 AB2C3D3E21F23 -253.22 2.12 -8.47 -1.51 0
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405910 135075909 1 BrO3C14H17 AB3C14D17 -96.01 4.38 -8.75 -0.16 0
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405911 135075910 1 ClOH13C15 ABC13D15 -8.81 3.48 -9.72 -0.68 0
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405912 135075911 1 FH17C22 AB17C22 55.61 1.68 -8.65 -0.5 0
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405913 135075912 1 SSiF3O3C21H27 ABC3D3E21F27 -273.49 2.63 -9.08 -1.4 0
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405914 135075913 1 SSiF3O3C23H23 ABC3D3E23F23 -231.19 2.39 -9.2 -1.44 0
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405915 135075914 1 ON3C22H35 AB3C22D35 -20.42 3.88 -8.69 0.21 0
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405916 135075915 1 N3O5C11H13 A3B5C11D13 -45.88 1.67 -10.16 -1.95 0
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405917 135075916 1 BrNO2C13H16 ABC2D13E16 -75.81 3.44 -9.59 -0.31 0
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405918 135075917 1 ISiO4C13H15 ABC4D13E15 -152.44 5.72 -9.24 -0.9 0
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405919 135075966 1 NSO7C12H13 ABC7D12E13 -257.33 3.72 -9.71 -1.41 1
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405920 135075973 1 N2O4C11H19 A2B4C11D19 -138.55 6.56 0.0 0.0 0
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405921 135075975 2 OSC5H6 ABC5D6 -61.21 4.77 -8.25 -0.14 0
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405922 135075991 1 SiO3C24H42 AB3C24D42 -214.59 1.72 -8.79 0.27 0
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405923 135076021 1 SF3O4C22H23 AB3C4D22E23 -280.63 4.68 -9.3 -1.71 0
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405924 135076022 1 NSSiF3O3H22C24 ABCD3E3F22G24 -200.11 3.78 -9.37 -1.81 0
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405925 135076023 1 NOH19C20 ABC19D20 26.5 3.97 -8.7 -0.62 0
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405926 135076024 1 OSiC13H18 ABC13D18 -31.19 2.45 -9.52 0.26 0
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405927 135076025 1 IO2H13C18 AB2C13D18 12.75 3.16 -8.75 -1.06 0
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405928 135076026 1 ClNO3C12H14 ABC3D12E14 -55.29 8.07 -9.53 -1.22 0
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405929 135076027 1 ClN2O3C16H25 AB2C3D16E25 -66.54 8.28 -8.91 -1.18 0
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405930 135076028 2 OC8H9 AB8C9 -58.96 2.82 -9.15 -0.61 0
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405931 135076029 1 ION3C14H16 ABC3D14E16 66.9 4.3 -9.51 -1.54 0
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405932 135076030 1 ON2F4H12C14 AB2C4D12E14 -156.47 7.67 -9.98 -1.67 0
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405933 135076031 1 ON2F4H14C15 AB2C4D14E15 -164.51 7.87 -9.93 -1.65 0
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405934 135076032 1 OF3N3H4C12 AB3C3D4E12 -82.76 4.13 -10.09 -2.61 0
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405935 135076033 2 FO2C8H10 AB2C8D10 -220.92 2.32 -9.88 0.07 0
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405936 135076034 1 SiO2F3C26H27 AB2C3D26E27 -201.78 3.46 -9.13 -0.88 0
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405937 135076035 1 FSO4C16H17 ABC4D16E17 -180.37 6.23 -9.58 -0.81 0
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405938 135076036 2 O2C9H11 A2B9C11 -146.48 3.15 -9.52 0.13 0
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405939 135076037 1 NOS2C16H23 ABC2D16E23 -8.08 2.5 -8.46 0.22 0
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405940 135076038 1 SiO3C34H50 AB3C34D50 -146.57 1.28 -8.94 -0.37 0
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405941 135076039 1 ClSO2C18H27 ABC2D18E27 -119.06 2.36 -9.01 -0.76 0
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405942 135076040 1 CrSSiO6C14H14 ABCD6E14F14 -25.16 1.19 -7.3 -0.36 0
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405943 135076041 1 CrOSSiC9H14 ABCDE9F14 71.37 1.61 -7.62 -0.03 0
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405944 135076042 1 CrO6C14H14 AB6C14D14 -191.71 1.49 -8.08 0.14 0
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405945 135076043 1 CrOC9H14 ABC9D14 118.15 1.63 -6.81 0.95 0
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405946 135076044 1 OF3H15C17 AB3C15D17 -120.92 2.82 -9.29 -0.38 0
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405947 135076045 1 NO2S2C19H23 AB2C2D19E23 -57.24 2.91 -8.47 -0.99 0
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405948 135076046 1 S2Cl3H19C20 A2B3C19D20 28.29 3.62 -8.48 -0.55 0
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405949 135076048 1 WO6H10C14 AB6C10D14 -18.64 6.23 -6.91 0.19 0
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405950 135076049 1 OWC9H10 ABC9D10 224.2 2.52 -6.45 0.27 0