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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52823 14709018 1 ClNSO4H18C22 ABCD4E18F22 -93.96 8.12 -8.49 -1.03 0
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52824 14709019 1 BrNSO4H16C21 ABCD4E16F21 -71.01 7.18 -8.55 -1.15 0
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52825 14709020 1 BrNSO4H18C22 ABCD4E18F22 -78.98 6.49 -8.43 -1.05 0
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52826 14709024 1 SN2O5H18C21 AB2C5D18E21 -48.38 7.14 -8.43 -1.02 0
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52827 14709028 1 BrNSO4H18C22 ABCD4E18F22 -102.47 2.77 -8.44 -0.97 0
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52828 14709029 1 SN2O5H18C21 AB2C5D18E21 -76.33 7.4 -9.02 -1.42 0
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52829 14709030 1 SN2O5H18C21 AB2C5D18E21 -74.24 6.6 -8.86 -1.4 0
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52830 14709032 1 SO3C11H12 AB3C11D12 -111.7 7.51 -8.71 -0.86 0
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52831 14709039 2 AsClNC10H13 ABCD10E13 79.92 2.87 -7.41 -0.3 0
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52832 14709041 2 AsNH12C13 ABC12D13 166.91 1.01 -7.62 -0.62 0
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52833 14709045 1 AsBr2C7H7 AB2C7D7 2.35 2.74 -9.62 -1.29 0
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52834 14709048 2 AsNCl2H8C12 ABC2D8E12 146.37 2.67 -7.81 -0.82 0
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52835 14709049 1 SAs2N2O2C22H32 AB2C2D2E22F32 26.97 8.03 -7.69 -0.39 0
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52836 14709050 2 AsNOSC11H16 ABCDE11F16 32.22 3.11 -8.18 -1.29 0
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52837 14709051 1 ClNPO2S2C5H9 ABCD2E2F5G9 -129.82 5.48 -9.41 -0.88 0
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52838 14709053 1 ClPSN4O4H26C29 ABCD4E4F26G29 153.22 18.59 -8.76 -2.27 0
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52839 14709054 1 BOC8H15 ABC8D15 -68.55 2.52 -9.28 1.05 0
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52840 14709058 1 BO2C14H25 AB2C14D25 -135.59 3.87 -9.64 1.46 0
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52841 14709059 1 O3N5H19C20 A3B5C19D20 59.5 7.97 -9.33 -1.55 0
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52842 14709060 1 O5N6H18C20 A5B6C18D20 55.96 7.19 -9.51 -1.81 0
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52843 14709062 1 O3N5C21H21 A3B5C21D21 50.67 6.7 -9.02 -1.62 0
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52844 14709065 1 O4N5H17C18 A4B5C17D18 29.9 8.05 -9.21 -1.58 0
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52845 14709066 1 O4N5C18H21 A4B5C18D21 -18.78 6.3 -9.5 -1.62 0
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52846 14709067 1 N5O5C19H23 A5B5C19D23 -74.57 6.05 -9.24 -1.49 0
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52847 14709072 1 SO3N6C21H22 AB3C6D21E22 48.91 9.16 -9.07 -1.5 0
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52848 14709075 1 SO2N6H18C20 AB2C6D18E20 122.9 6.18 -8.65 -1.69 0
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52849 14709076 1 SO2N6H20C21 AB2C6D20E21 114.34 7.32 -8.6 -1.62 0
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52850 14709077 1 ClSO2N6H17C20 ABC2D6E17F20 114.51 4.94 -8.81 -1.67 0
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52851 14709078 1 SO2N6C14H14 AB2C6D14E14 96.81 5.72 -9.46 -1.66 0
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52852 14709080 1 SO2N6H20C21 AB2C6D20E21 114.31 7.16 -8.62 -1.56 0
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52853 14709081 1 ClSO2N6H17C20 ABC2D6E17F20 114.89 8.34 -8.92 -1.59 0
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52854 14709086 1 SN3O5H7C9 AB3C5D7E9 -175.82 5.58 -10.57 -1.22 0
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52855 14709087 1 SN2F3O4H9C10 AB2C3D4E9F10 -302.08 6.84 -10.45 -1.01 0
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52856 14709088 1 SiO2C7H14 AB2C7D14 -146.04 1.14 -9.36 0.61 0
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52857 14709092 1 HOC6F13 ABC6D13 -718.31 1.87 -13.49 -0.75 0
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52858 14709093 1 OC6F12 AB6C12 -645.48 1.27 -12.97 -1.33 0
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52859 14709094 1 SN3H9C12 AB3C9D12 97.57 3.22 -9.06 -1.34 0
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52860 14709095 1 SN3H11C13 AB3C11D13 90.04 3.44 -9.05 -1.31 0
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52861 14709097 1 SN3H13C14 AB3C13D14 79.18 4.49 -9.01 -1.07 0
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52862 14709100 1 OSN3H11C13 ABC3D11E13 70.97 5.41 -8.81 -1.46 0
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52863 14709101 1 OSN3H13C14 ABC3D13E14 60.42 6.28 -8.78 -1.2 0
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52864 14709102 1 SO2N3H9C12 AB2C3D9E12 21.33 6.61 -10.71 -1.73 0
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52865 14709104 1 SO2N3H13C14 AB2C3D13E14 7.14 7.51 -10.54 -1.51 0
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52866 14709105 1 SN4H8C13 AB4C8D13 113.45 4.4 -8.8 -1.52 0
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52867 14709106 1 SO2N3H11C14 AB2C3D11E14 -8.16 2.24 -8.52 -1.36 0
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52868 14709107 1 SO3N4H12C19 AB3C4D12E19 66.22 7.63 -8.85 -1.72 0
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52869 14709109 1 SN2O2H12C14 AB2C2D12E14 0.0 9.65 -10.07 -1.32 0
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52870 14709115 1 ClIN2O3H12C18 ABC2D3E12F18 -24.91 4.2 -8.76 -1.99 0
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52871 14709117 1 N2O3H12C18 A2B3C12D18 -25.8 4.28 -8.97 -2.0 0
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52872 14709118 1 N2O3H14C19 A2B3C14D19 -35.81 4.59 -8.88 -1.95 0
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52873 14709119 1 N2O4H14C19 A2B4C14D19 -63.49 4.78 -8.25 -1.91 0
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52874 14709120 1 N3O3H17C20 A3B3C17D20 -26.53 4.21 -8.27 -1.9 0
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52875 14709123 1 BrN2O3H11C18 AB2C3D11E18 -23.6 4.15 -9.14 -2.12 0
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52876 14709124 1 IN2O3H11C18 AB2C3D11E18 -9.35 4.14 -9.16 -2.12 -1
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52877 14709128 1 ClFeNSO4H17C18 ABCDE4F17G18 3.11 6.34 0.0 0.0 0
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52878 14709129 1 ClNSO4H12C13 ABCD4E12F13 -33.8 4.48 -8.9 -0.85 -1
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52879 14709130 1 ClFeNSO4H17C18 ABCDE4F17G18 -0.58 8.15 0.0 0.0 -1
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52880 14709132 1 BrFeNSO4H17C18 ABCDE4F17G18 -5.33 2.97 0.0 0.0 -1
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52881 14709136 1 BrFeNSO4H17C18 ABCDE4F17G18 -6.41 4.04 0.0 0.0 0
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52882 14709137 1 BrNSO4H12C13 ABCD4E12F13 -22.65 4.58 -8.88 -0.83 0
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52883 14709139 1 ClNSO4C14H14 ABCD4E14F14 -40.79 5.85 -8.92 -0.78 -1
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52884 14709140 1 ClFeNSO4C19H19 ABCDE4F19G19 -14.67 8.33 0.0 0.0 -1
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52885 14709142 1 ClFeNSO4C19H19 ABCDE4F19G19 -19.07 5.07 0.0 0.0 0
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52886 14709143 1 ClNSO4C14H14 ABCD4E14F14 -40.86 5.28 -8.91 -0.78 -2
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52887 14709144 1 ClFeNSO2H16C19 ABCDE2F16G19 44.7 5.82 -8.74 -0.46 -2
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52888 14709146 1 ClFeNSO2H16C19 ABCDE2F16G19 114.08 3.29 -7.34 -1.28 0
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52889 14709147 1 ClNSO2H12C14 ABCD2E12F14 1.07 4.4 -9.45 -0.82 -2
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52890 14709148 1 ClFeNSO2H16C19 ABCDE2F16G19 38.78 4.28 -8.34 -0.82 0
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52891 14709149 1 ClNSO2H12C14 ABCD2E12F14 2.83 8.68 -9.54 -0.92 -2
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52892 14709150 1 ClFeNSO2H18C20 ABCDE2F18G20 30.71 4.88 -8.27 -0.67 -2
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52893 14709152 1 ClFeNSO2H18C20 ABCDE2F18G20 26.13 6.01 -8.27 -0.7 0
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52894 14709153 1 ClNSO2H14C15 ABCD2E14F15 -7.56 5.07 -9.39 -0.8 -2
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52895 14709154 1 ClFeNSO2H18C20 ABCDE2F18G20 42.98 11.14 -7.23 -1.27 -2
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52896 14709158 1 FeNO2S3H25C30 ABC2D3E25F30 143.56 4.76 -8.55 -1.02 0
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52897 14709163 1 ON2H8C10 AB2C8D10 55.6 5.92 -10.26 -0.93 0
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52898 14709165 1 SN2O5C15H20 AB2C5D15E20 -188.42 6.5 -10.32 -0.86 0
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52899 14709166 1 N2O2H12C17 A2B2C12D17 31.52 3.99 -10.02 -0.76 0
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52900 14709174 1 NF2H3C8 AB2C3D8 25.03 4.73 -10.84 -1.29 0
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52901 14709175 1 OF2H14C20 AB2C14D20 -2.08 2.0 -9.69 -0.36 0
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52902 14709176 1 OF2H4C8 AB2C4D8 -32.59 5.38 -10.45 -1.26 0
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52903 14709177 2 FOH5C6 ABC5D6 -89.37 2.29 -10.11 -1.24 0
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52904 14709179 1 SiF2C10H12 AB2C10D12 -53.15 3.4 -9.85 -0.23 1
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52905 14709182 1 F2H15C20 A2B15C20 37.24 2.91 0.0 0.0 0
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52906 14709184 1 S2O6C21H28 A2B6C21D28 -245.75 2.16 -9.95 -0.47 0
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52907 14709185 2 Br2C3H5 A2B3C5 -26.1 0.6 -10.59 -1.28 0
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52908 14709186 2 C8H9 A8B9 32.09 0.07 -8.38 -0.15 0
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52909 14709188 2 BO2C14H14 AB2C14D14 -212.38 2.22 -9.5 -0.28 0
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52910 14709191 2 BFO2H13C14 ABC2D13E14 -334.67 2.03 -9.44 -0.16 0
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52911 14709192 2 BFO2H13C14 ABC2D13E14 -306.32 1.42 -9.48 -0.25 0
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52912 14709194 1 B2N2O4C35H38 A2B2C4D35E38 -134.76 6.52 -8.32 -0.26 0
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52913 14709196 1 B2N2O4C33H34 A2B2C4D33E34 -167.98 6.41 -8.73 -1.02 0
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52915 14709201 1 NB2O4C36H39 AB2C4D36E39 -165.71 2.83 -8.77 -0.24 0
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52917 14709204 2 BNO2C16H16 ABC2D16E16 -153.04 3.87 -8.74 -0.43 0
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52918 14709205 2 BNO2C16H16 ABC2D16E16 -168.92 2.41 -9.51 -0.52 0
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52921 14709211 2 BFO2H13C14 ABC2D13E14 -338.37 6.3 -9.6 -0.33 0
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52922 14709212 1 B2F2N2O4C35H36 A2B2C2D4E35F36 -236.81 2.08 -8.82 -0.58 0
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52923 14709213 2 BFO2H13C14 ABC2D13E14 31.32 11.43 -8.31 -1.88 0
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52924 14709217 1 O3C12H20 A3B12C20 -146.11 2.28 -9.41 0.58 0
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52925 14709218 1 O3C15H26 A3B15C26 -153.6 2.7 -9.28 1.2 0
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52926 14709219 3 OC5H8 AB5C8 -138.33 4.0 -9.29 0.56 0