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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23871 606962 3 NH3C4 AB3C4 90.9 5.03 -9.27 -1.16 0
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23872 606963 2 ON2H10C14 AB2C10D14 70.97 3.88 -8.79 -1.51 0
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23873 606964 2 NC10H10 AB10C10 72.61 3.4 -8.09 -0.13 0
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23874 606973 2 NO3C8H8 AB3C8D8 -110.13 3.58 -8.56 -1.48 0
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23875 606977 1 NSO3C22H33 ABC3D22E33 -117.8 5.18 -9.62 -2.28 0
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23876 606980 1 N2O5H8C9 A2B5C8D9 -22.8 4.99 -10.99 -2.33 0
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23877 606981 2 OC9H10 AB9C10 -65.1 2.91 -9.4 -0.04 0
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23878 606982 1 ON3H17C20 AB3C17D20 61.73 3.64 -8.78 -0.47 0
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23879 606984 1 O4C13H18 A4B13C18 -154.2 5.69 -8.72 0.3 0
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23880 606986 1 N2O3C12H18 A2B3C12D18 -105.83 3.29 -9.99 -0.55 0
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23881 606989 2 ON3C6H10 AB3C6D10 -34.47 1.86 -8.8 -0.17 0
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23882 606990 1 N4O5C14H16 A4B5C14D16 -121.24 4.76 -8.66 -0.91 0
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23883 606992 1 N2H3O3F15C22 A2B3C3D15E22 -663.36 3.56 -10.59 -1.92 0
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23884 606993 1 ClNO3H16C21 ABC3D16E21 -49.55 2.6 -8.52 -0.86 0
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23885 606996 1 N2O5F7C18H21 A2B5C7D18E21 -568.56 3.8 -10.53 -0.74 0
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23886 607010 1 SCl2O2H12C17 AB2C2D12E17 -45.6 2.25 -8.73 -0.82 0
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23887 607011 1 ClNS2O3H16C19 ABC2D3E16F19 -81.86 5.87 -8.42 -1.51 0
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23888 607015 1 NOSCl3H8C15 ABCD3E8F15 2.91 7.56 -8.99 -1.53 0
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23889 607016 1 ClSN2O2C17H17 ABC2D2E17F17 -36.2 2.88 -9.03 -1.28 0
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23890 607020 1 ClSN2O4H11C16 ABC2D4E11F16 -25.31 2.99 -8.92 -1.54 0
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23891 607021 1 ClNOSH12C13 ABCDE12F13 -12.63 4.95 -8.83 -0.97 0
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23892 607023 1 ClSN2O3H9C15 ABC2D3E9F15 15.37 10.05 -9.24 -1.59 0
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23893 607024 1 ClNSO2H12C17 ABCD2E12F17 -25.0 7.96 -9.09 -1.52 0
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23894 607026 1 ClSN2O3H11C16 ABC2D3E11F16 4.13 11.05 -9.32 -1.72 0
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23895 607031 1 ClNO4C13H14 ABC4D13E14 -165.9 6.73 -10.07 -1.13 0
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23896 607033 1 ClNOSH12C16 ABCDE12F16 7.16 3.31 -8.82 -1.32 0
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23897 607035 1 ClNOSH10C15 ABCDE10F15 19.15 4.58 -8.81 -1.38 0
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23898 607038 1 ClINOSH9C15 ABCDEF9G15 34.94 6.27 -8.87 -1.52 0
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23899 607039 1 PN2O7C15H27 AB2C7D15E27 -389.43 2.24 -9.74 -0.58 0
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23900 607040 1 NSC14H23 ABC14D23 -18.37 1.88 -8.44 0.04 0
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23901 607041 2 NOH10C11 ABC10D11 23.35 5.38 -8.78 -0.47 0
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23902 607045 2 OF2H3C4 AB2C3D4 -222.35 0.02 -8.94 -0.82 0
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23903 607046 2 C8H9 A8B9 14.16 0.61 -8.77 0.49 0
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23904 607053 2 NO3C9H9 AB3C9D9 -129.49 3.5 -8.57 -0.85 0
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23905 607054 1 N2O5C16H18 A2B5C16D18 -103.42 5.5 -8.61 -0.56 0
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23906 607055 1 ClNO4C18H20 ABC4D18E20 -122.68 2.4 -8.94 -0.26 0
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23907 607056 1 NOF5H10C12 ABC5D10E12 -252.26 4.24 -10.19 -1.51 0
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23908 607058 1 NO6H7C8 AB6C7D8 -148.26 3.47 -9.74 -2.25 0
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23909 607060 1 O2F5H7C10 A2B5C7D10 -288.77 2.15 -10.78 -1.72 0
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23910 607065 1 ON2H12C14 AB2C12D14 40.15 4.59 -9.92 -1.07 0
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23911 607068 1 BN2C14H17 AB2C14D17 -8.89 0.7 -8.23 0.13 0
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23912 607070 2 NOH6C7 ABC6D7 28.82 2.08 -8.35 -1.39 0
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23913 607074 1 NO2H13C14 AB2C13D14 -39.11 1.0 -8.45 -0.54 0
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23914 607080 2 O2C7H9 A2B7C9 -173.68 4.12 -8.92 0.15 0
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23915 607087 1 NOF5H10C11 ABC5D10E11 -257.07 4.08 -10.2 -1.5 0
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23916 607096 1 NOF5C17H20 ABC5D17E20 -270.98 4.62 -9.72 -1.41 0
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23917 607109 1 NOF8H15C19 ABC8D15E19 -392.31 6.61 -9.87 -1.5 0
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23918 607110 1 NO5H11C16 AB5C11D16 -122.77 9.81 -9.73 -2.01 0
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23919 607111 1 ClON2H13C15 ABC2D13E15 29.24 4.52 -9.26 -0.64 0
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23920 607112 1 BrN2H11C13 AB2C11D13 86.7 0.84 -8.41 -0.65 0
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23921 607120 1 ClN2O4C15H15 AB2C4D15E15 -102.33 3.61 -9.23 -0.76 0
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23922 607121 1 N3O3H11C16 A3B3C11D16 24.64 1.66 -9.35 -1.38 0
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23923 607122 1 IO7C22H25 AB7C22D25 -275.07 11.29 -10.08 -1.29 0
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23924 607131 1 N2O4C19H22 A2B4C19D22 -76.28 4.41 -8.56 -0.35 0
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23925 607132 2 N2O3H7C8 A2B3C7D8 -43.69 8.27 -9.94 -2.1 0
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23926 607133 1 BrN2O5H15C16 AB2C5D15E16 -150.24 5.07 -9.09 -0.62 0
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23927 607134 1 ClNOSH14C17 ABCDE14F17 1.3 4.73 -8.49 -1.16 0
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23928 607135 1 ClNSO2H12C16 ABCD2E12F16 -20.17 5.43 -8.34 -1.26 0
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23929 607136 1 FNO4C17H18 ABC4D17E18 -151.88 2.94 -8.4 -0.24 0
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23930 607137 1 N4O5C14H16 A4B5C14D16 -120.62 4.88 -9.06 -0.68 0
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23931 607144 1 NO3F5H8C15 AB3C5D8E15 -289.47 2.17 -9.57 -2.04 0
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23932 607148 1 N2O6H12C19 A2B6C12D19 -6.22 4.51 -9.42 -2.38 0
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23933 607150 1 F3N3O3H16C18 A3B3C3D16E18 -134.18 7.75 -9.22 -1.44 0
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23934 607152 2 NO2C12H12 AB2C12D12 -52.81 4.4 -8.46 -0.27 0
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23935 607162 2 NC8H16 AB8C16 -12.92 2.44 -8.84 2.42 0
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23936 607168 1 O3C20H32 A3B20C32 -181.71 7.2 -9.53 0.96 0
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23937 607169 1 N2O2C19H36 A2B2C19D36 -158.14 2.43 -9.13 1.23 0
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23938 607170 1 N2O5C10H10 A2B5C10D10 -109.56 4.02 -9.13 -1.38 0
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23939 607173 1 NO3C13H21 AB3C13D21 -117.32 1.43 -9.87 0.09 0
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23940 607174 1 ClNO2C10H10 ABC2D10E10 -71.09 4.82 -9.32 -0.77 0
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23941 607175 1 N2O5C10H10 A2B5C10D10 -92.04 3.12 -10.17 -2.37 0
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23942 607178 1 O5H8C9 A5B8C9 -162.54 7.44 -9.42 -0.99 0
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23943 607179 1 NF3O3C11H18 AB3C3D11E18 -322.76 3.69 -10.69 -0.24 0
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23944 607180 1 NF3O3C11H18 AB3C3D11E18 -321.65 4.1 -10.68 -0.14 0
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23945 607181 1 FeO5C11H12 AB5C11D12 17.43 1.21 -7.14 0.76 0
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23946 607182 1 N2O2C19H32 A2B2C19D32 -37.27 0.33 -8.0 0.91 0
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23947 607183 2 NOC5H8 ABC5D8 -97.14 6.91 -9.26 -0.24 0
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23948 607186 1 ON3H11C12 AB3C11D12 68.19 2.8 -9.05 -0.81 0
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23949 607187 2 H2N2O2C3 A2B2C2D3 88.41 4.07 -10.12 -1.57 0
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23950 607188 1 O3N4H16C22 A3B4C16D22 3.09 4.31 -9.64 -1.51 0
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23951 607190 1 OSiC11H20 ABC11D20 -91.29 1.17 -9.02 1.22 0
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23952 607191 1 OSiN3C9H17 ABC3D9E17 -71.89 6.0 -8.84 -0.12 0
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23953 607195 1 NSO5C11H11 ABC5D11E11 -174.41 3.37 -10.42 -1.41 0
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23954 607198 1 NO2H15C20 AB2C15D20 16.42 0.83 -8.99 -0.94 0
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23955 607199 1 O3H10C13 A3B10C13 -48.96 3.24 -10.0 -2.02 0
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23956 607203 1 N3O4H13C14 A3B4C13D14 24.59 9.04 -9.79 -1.55 0
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23957 607204 1 OC15H18 AB15C18 -25.05 1.42 -9.4 0.24 0
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23958 607206 1 NO5H21C22 AB5C21D22 -135.09 3.57 -8.68 -0.75 0
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23959 607209 1 FO2N4H5C7 AB2C4D5E7 30.91 3.66 -9.65 -2.01 0
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23960 607216 1 OH24C28 AB24C28 56.57 3.69 -9.09 -0.64 0
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23961 607217 1 O5C14H22 A5B14C22 -258.68 2.81 -10.14 0.53 0
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23962 607220 1 ClNOC11H14 ABCD11E14 -48.66 2.44 -8.8 -0.26 0
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23963 607222 1 NO5C17H19 AB5C17D19 -169.11 4.85 -8.46 -0.72 0
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23964 607225 1 SN2O3C17H24 AB2C3D17E24 -109.46 7.8 -9.81 -1.18 0
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23965 607229 1 FNO3H16C17 ABC3D16E17 -126.89 1.61 -9.89 -0.77 0
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23966 607240 1 NO7C13H15 AB7C13D15 -202.89 4.96 -9.22 -0.81 0
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23967 607244 2 OC4H7 AB4C7 -24.79 3.57 -6.82 -1.11 -4
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23968 607245 1 ON5C9H17 AB5C9D17 -8.59 3.33 -9.03 0.32 0
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23969 607252 1 NSiO3C9H13 ABC3D9E13 -83.59 5.63 -9.76 -1.38 0
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23970 607264 2 NO2C4H4 AB2C4D4 -76.65 5.21 -9.56 -1.47 0