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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406871 135078815 4 OC4H7 AB4C7 -227.62 1.79 -10.42 -0.44 0
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406872 135078816 1 NOC18H25 ABC18D25 -42.0 3.73 -9.42 -0.11 0
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406873 135078817 1 O3H12C16 A3B12C16 -41.3 2.57 -9.42 -1.23 0
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406874 135078818 1 ClO4H11C12 AB4C11D12 -148.52 7.12 -9.88 -0.9 0
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406875 135078819 1 PO5H19C21 AB5C19D21 -173.38 4.05 -8.91 -0.78 0
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406876 135078820 1 BrSiN2O3C29H33 ABC2D3E29F33 -90.52 1.53 -8.96 -1.07 1
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406877 135078821 1 BrSiN2O3C29H34 ABC2D3E29F34 -63.82 6.28 0.0 0.0 0
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406878 135078822 1 ISiN2O3C19H29 ABC2D3E19F29 -126.89 1.41 -8.81 -0.95 1
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406879 135078823 1 ISiN2O3C19H30 ABC2D3E19F30 -113.61 7.03 0.0 0.0 0
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406880 135078824 1 SN2O3C15H16 AB2C3D15E16 -46.58 6.07 -8.9 -0.39 0
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406881 135078825 1 OS2C22H26 AB2C22D26 -5.77 3.96 -8.39 -0.17 0
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406882 135078826 1 OS2C23H28 AB2C23D28 -6.32 3.78 -8.46 -0.07 0
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406883 135078827 2 NOC10H13 ABC10D13 -50.1 3.94 -9.05 0.2 0
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406884 135078828 1 NSO2C14H15 ABC2D14E15 42.0 6.65 -9.21 -0.69 0
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406885 135078829 1 OC13H18 AB13C18 -28.76 2.15 -9.12 0.42 0
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406886 135078835 2 NOC6H6 ABC6D6 -0.18 2.46 -8.93 -0.78 0
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406887 135078851 1 BKSO3C9H12 ABCD3E9F12 -227.12 9.45 -8.21 0.26 0
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406888 135078856 1 ClNSSnC32H42 ABCDE32F42 36.35 7.13 -8.36 -0.64 0
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406889 135078858 1 BrNSO5C14H18 ABCD5E14F18 -141.44 6.27 -9.23 -0.98 0
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406890 135078860 1 NSSiO5C13H27 ABCD5E13F27 -279.11 5.52 -8.46 -0.5 0
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406891 135078869 1 LiO2C15H19 AB2C15D19 -16.11 7.3 -8.19 0.6 0
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406892 135078870 1 O2C15H20 A2B15C20 -44.06 1.39 -9.37 0.32 0
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406893 135078871 1 IN2F3H12C14 AB2C3D12E14 -93.54 4.68 -8.64 -0.92 0
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406894 135078872 1 LiOC12H15 ABC12D15 -41.57 5.47 -8.79 0.68 0
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406895 135078874 1 NPO4C16H32 ABC4D16E32 -247.42 2.37 -10.05 0.64 0
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406896 135078875 1 N3O8C13H19 A3B8C13D19 -326.04 4.55 -9.58 -0.67 0
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406897 135078876 1 NO3C14H25 AB3C14D25 -167.97 3.71 -9.83 0.45 0
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406898 135078877 1 NO3C24H29 AB3C24D29 -102.94 3.72 -9.47 0.04 0
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406899 135078878 1 N2P2O4C19H24 A2B2C4D19E24 -178.78 5.76 -9.18 -0.61 0
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406900 135078879 1 CrNO5C13H15 ABC5D13E15 -67.73 5.99 -7.43 -0.1 0
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406901 135078880 1 CrNC8H15 ABC8D15 53.38 2.33 -7.12 1.29 0
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406902 135078882 1 NO3C16H29 AB3C16D29 -180.2 3.43 -9.32 0.58 0
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406903 135078883 1 NO2C14H17 AB2C14D17 -26.94 1.91 -7.98 0.15 0
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406904 135078885 1 FNH12C15 ABC12D15 44.8 0.68 -8.53 -0.37 0
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406905 135078888 1 O4C17H24 A4B17C24 -129.35 2.64 -9.38 0.18 0
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406906 135078890 1 OSiC19H28 ABC19D28 -81.06 1.15 -8.71 -0.12 0
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406907 135078891 1 SN2O3H16C22 AB2C3D16E22 29.4 5.1 -9.19 -1.19 0
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406909 135078895 2 O2C12H13 A2B12C13 -103.5 2.68 -8.79 -0.45 0
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406910 135078902 1 OSi2C20H38 AB2C20D38 -107.52 1.44 -8.76 1.14 0
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406911 135078905 1 NOH21C23 ABC21D23 63.75 3.63 -8.54 -0.26 0
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406912 135078909 1 OC13H16 AB13C16 -14.45 2.4 -9.16 0.32 0
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406913 135078915 1 O2C17H26 A2B17C26 -69.77 3.04 -8.83 0.05 0
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406914 135078917 1 IOC8H13 ABC8D13 -0.86 2.52 -9.5 -0.69 0
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406915 135078918 2 SO2C14H27 AB2C14D27 -300.86 4.24 -8.58 -0.95 1
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406916 135078922 1 ON2C16H17 AB2C16D17 15.06 4.12 0.0 0.0 0
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406917 135078930 1 NOC15H21 ABC15D21 -43.02 4.12 -8.76 0.18 0
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406918 135078931 1 NOC17H23 ABC17D23 -42.25 5.01 -8.72 0.2 0
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406919 135078932 1 NO4C15H19 AB4C15D19 -146.32 4.58 -9.4 -0.52 0
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406920 135078934 1 BrO3H7C10 AB3C7D10 -64.7 3.55 -9.88 -1.13 0
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406921 135078938 1 NO4C13H15 AB4C13D15 -75.91 5.59 -9.7 -1.58 0
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406922 135078939 1 FeOSC20H23 ABCD20E23 109.71 3.85 0.0 0.0 0
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406923 135078940 1 OSH12C13 ABC12D13 22.31 2.6 -8.29 -0.81 0
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406924 135078941 1 NSiO2C20H35 ABC2D20E35 -145.45 5.86 -8.67 -0.15 0
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406925 135078942 1 N2S2O5F6C10H14 A2B2C5D6E10F14 -520.09 5.75 -10.69 -1.64 0
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406926 135078943 1 NO2C20H27 AB2C20D27 -55.53 2.98 -9.04 0.01 0
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406927 135078944 1 O3C28H34 A3B28C34 -55.46 2.55 -8.65 -0.09 0
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406928 135078945 4 C4H5 A4B5 36.08 1.83 -8.8 0.17 0
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406929 135078946 1 O4C17H24 A4B17C24 -135.48 0.94 -8.95 0.42 0
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406930 135078947 1 SN2O4C11H14 AB2C4D11E14 -43.24 7.08 -8.37 -0.98 0
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406931 135078948 1 NSO3H11C12 ABC3D11E12 -48.39 4.25 -9.73 -0.37 -1
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406932 135078949 1 LiN2C15H24 AB2C15D24 9.64 4.46 0.0 0.0 0
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406933 135078950 1 LiNOSi2C18H34 ABCD2E18F34 -168.52 5.45 -8.0 1.28 0
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406934 135078951 1 NOCl3C6H6 ABC3D6E6 -73.85 2.18 -9.73 -0.9 0
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406935 135078952 1 BrN3O3H12C17 AB3C3D12E17 32.46 8.2 -9.03 -1.67 0
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406936 135078953 1 ClNO2H8C10 ABC2D8E10 -44.81 5.87 -9.42 -1.52 0
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406937 135078954 1 ClOSN3H10C11 ABCD3E10F11 11.37 5.1 -8.98 -1.02 0
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406938 135078955 1 OSF3N3H10C12 ABC3D3E10F12 -141.39 3.28 -9.22 -1.25 0
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406939 135078956 1 OSnC10H16 ABC10D16 -26.57 2.16 -8.31 0.31 0
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406940 135078957 1 SO3H10C15 AB3C10D15 -40.84 9.73 -8.98 -1.29 0
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406941 135078958 1 SN2O5C10H14 AB2C5D10E14 -110.28 9.63 -9.56 -1.34 0
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406942 135078959 1 BrClNO2H17C20 ABCD2E17F20 -4.27 7.4 -8.94 -1.12 0
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406943 135078960 1 BrNO2H16C17 ABC2D16E17 -44.03 5.46 -8.74 -0.49 0
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406944 135078961 1 NO4H23C26 AB4C23D26 -51.57 2.11 -8.78 -0.64 0
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406945 135078962 1 NO5C11H13 AB5C11D13 -124.85 5.29 -10.05 -1.19 0
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406946 135078963 1 NOF2C18H23 ABC2D18E23 -122.41 7.32 -8.94 -0.65 0