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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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308009 125311757 1 O2S2N4C19H26 A2B2C4D19E26 -25.33 3.27 -8.91 -1.56 0
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308010 125311763 1 N4O4C19H22 A4B4C19D22 -62.8 2.13 -8.14 -1.22 0
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308011 125311769 1 PN8O8C44H55 AB8C8D44E55 -169.19 8.06 -8.44 -1.37 0
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308013 125311778 2 ON2C12H13 AB2C12D13 8.56 5.56 -9.32 -1.34 0
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308014 125311779 1 ClN2O4H19C20 AB2C4D19E20 -51.3 7.15 -8.88 -1.44 0
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308015 125311805 2 ON2C10H10 AB2C10D10 4.55 3.93 -8.69 -1.58 0
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308016 125311814 1 SO2N5C17H17 AB2C5D17E17 38.65 7.02 -9.07 -1.01 0
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308017 125311815 1 SO2N5C17H17 AB2C5D17E17 39.23 5.66 -9.24 -0.88 0
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308018 125311823 1 ClN3O4H22C23 AB3C4D22E23 -96.83 4.74 -9.07 -1.19 0
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308019 125311830 1 NO5H15C20 AB5C15D20 -115.12 9.12 -9.69 -2.15 0
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308020 125311846 1 NO4C11H11 AB4C11D11 -153.71 4.09 -10.45 -1.07 0
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308021 125311847 1 SO3N5C15H19 AB3C5D15E19 -39.77 4.53 -8.84 -1.14 0
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308022 125311848 1 SO3N5C15H19 AB3C5D15E19 -39.65 3.43 -8.86 -1.16 0
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308023 125311850 2 N2O3C19H24 A2B3C19D24 -129.01 4.73 -8.23 -0.89 0
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308024 125311854 4 NOC6H6 ABC6D6 -86.94 2.35 -8.99 -1.04 0
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308025 125311858 1 N4O4C19H24 A4B4C19D24 -115.4 9.09 -8.83 -0.88 0
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308026 125311860 2 N2O2H9C10 A2B2C9D10 74.38 5.81 -8.97 -1.65 0
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308027 125311871 1 N5O5C13H13 A5B5C13D13 -21.84 12.77 -8.87 -1.97 0
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308028 125311878 1 O5C23H34 A5B23C34 -180.93 5.41 -8.9 -0.65 0
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308029 125311895 1 ClSF2N6C11H11 ABC2D6E11F11 37.92 9.11 -10.22 -2.13 0
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308031 125311940 1 N4O5H30C32 A4B5C30D32 -81.52 6.27 -8.59 -1.41 0
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308032 125311954 5 NC2H3 AB2C3 89.25 4.41 -9.6 -0.46 0
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308033 125312357 1 SN3O6C21H27 AB3C6D21E27 -235.57 9.14 -9.45 -0.37 0
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308034 125312359 1 SN3O6C21H27 AB3C6D21E27 -237.75 8.09 -9.52 -0.74 0
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308035 125312373 1 NO4C19H23 AB4C19D23 -131.12 4.36 -9.12 0.04 0
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308036 125312376 1 ClNOF3H11C15 ABCD3E11F15 -117.16 3.68 -9.23 -0.86 0
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308037 125312377 1 ClNOF3H11C15 ABCD3E11F15 -105.15 3.56 -9.23 -0.86 0
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308038 125312378 1 ClO9C26H45 AB9C26D45 -482.48 9.53 -10.37 -0.26 0
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308039 125312383 1 ON3H5C7 AB3C5D7 70.66 9.0 -10.08 -2.64 0
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308040 125312397 1 BrClO2N5H17C18 ABC2D5E17F18 28.74 2.59 -9.08 -1.74 0
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308041 125312536 1 N2O3C19H20 A2B3C19D20 -44.85 3.97 -8.98 -0.62 0
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308042 125312556 1 FN2O5H19C24 AB2C5D19E24 -113.2 4.04 -8.88 -1.36 0
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308043 125312609 1 O2N3H17C21 A2B3C17D21 19.24 4.71 -8.78 -1.03 0
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308044 125312623 1 N2O3F4H18C24 A2B3C4D18E24 -193.73 6.79 -9.11 -1.31 0
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308045 125312629 1 N3O5C23H23 A3B5C23D23 -69.88 9.18 -9.25 -1.47 0
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308046 125312634 1 NOC23H31 ABC23D31 -24.46 2.65 -8.62 0.44 0
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308047 125312840 1 NO3C20H27 AB3C20D27 -142.09 1.75 -9.46 0.16 0
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308048 125312842 1 NO3C20H27 AB3C20D27 -140.81 1.63 -9.55 0.09 0
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308051 125316755 1 SO2N4C13H16 AB2C4D13E16 -6.61 4.74 -8.5 -1.02 0
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308052 125316757 1 BrON4H9C11 ABC4D9E11 75.66 3.82 -9.52 -1.43 0
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308053 125316760 1 N3O5H29C30 A3B5C29D30 -71.61 3.55 -8.18 -1.07 0
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308054 125316761 1 N3O5H29C30 A3B5C29D30 -74.25 3.2 -8.32 -1.22 0
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308056 125316765 1 ClN3O3H14C20 AB3C3D14E20 -19.97 4.04 -9.24 -1.0 0
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308057 125316766 1 ClN2O2S2H9C13 AB2C2D2E9F13 26.99 3.95 -9.44 -2.26 0
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308058 125316769 1 OS3N4C13H14 AB3C4D13E14 87.37 3.46 -8.82 -2.77 0
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308059 125316779 1 N3O3C26H29 A3B3C26D29 -54.16 2.92 -9.03 -1.12 0
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308062 125316803 1 Cl2N2O2C23H32 A2B2C2D23E32 -91.93 2.21 -8.63 -0.04 0
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308063 125316804 1 Cl2N2O2C23H32 A2B2C2D23E32 -91.62 3.76 -8.57 0.01 0
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308064 125316805 1 N3H11C13 A3B11C13 105.01 4.34 -9.05 -1.12 0
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308065 125316810 1 NF3O5H12C17 AB3C5D12E17 -278.85 2.91 -10.52 -1.73 0
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308066 125316823 1 N2O5H26C27 A2B5C26D27 -86.02 5.52 -8.74 -0.94 0
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308068 125316833 1 O2N4C15H16 A2B4C15D16 40.19 2.2 -9.32 -1.21 0
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308069 125316834 1 ClN2O3C15H15 AB2C3D15E15 -70.91 6.0 -9.31 -1.42 0
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308070 125316835 1 ClN2O3C15H15 AB2C3D15E15 -70.51 8.0 -9.41 -1.51 -1
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308071 125316838 1 OC9H11 AB9C11 16.8 2.14 0.0 0.0 0
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308072 125316840 1 ClSN3O3C20H20 ABC3D3E20F20 -72.77 5.68 -9.76 -1.66 0
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308074 125316853 1 NO8H19C24 AB8C19D24 -232.73 5.37 -9.1 -1.59 0
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308075 125316855 1 N4O5C23H24 A4B5C23D24 -172.68 3.84 -9.43 -0.81 0
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308076 125316856 1 N4O5C23H24 A4B5C23D24 -173.33 8.45 -9.31 -0.75 0
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308079 125316874 1 N2O4H28C31 A2B4C28D31 -67.37 1.32 -8.17 -0.87 0
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308080 125316877 1 NO7C27H37 AB7C27D37 -257.1 2.86 -9.67 -0.82 0
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308081 125316878 1 NO7C27H37 AB7C27D37 -307.05 2.23 -9.69 -0.83 0
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308082 125316882 1 ClN2O2C17H19 AB2C2D17E19 -36.41 5.9 -9.64 -0.53 0
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308083 125316885 1 ClIN2H4C7 ABC2D4E7 79.63 4.57 -9.65 -1.3 0
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308084 125316887 1 NO4C29H37 AB4C29D37 -141.47 4.89 -8.41 -0.22 0
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308085 125316892 2 O2N3H9C10 A2B3C9D10 38.22 13.54 -9.68 -1.94 0
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308086 125316893 1 SO2N4H18C19 AB2C4D18E19 18.51 2.43 -8.86 -0.97 0
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308087 125316898 1 NO3H9C11 AB3C9D11 -89.46 5.94 -10.15 -1.48 0
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308088 125316908 1 FON3H10C12 ABC3D10E12 -9.33 4.47 -10.02 -1.62 0
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308089 125316910 2 ON2C11H12 AB2C11D12 -33.53 9.41 -7.77 -0.6 0
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308092 125316915 1 N3O4H25C26 A3B4C25D26 -34.02 7.55 -8.57 -0.84 0
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308093 125316916 1 O2N4H12C13 A2B4C12D13 20.28 4.04 -9.31 -0.7 0
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308094 125316917 1 N3O4H25C26 A3B4C25D26 -36.18 6.52 -8.51 -0.91 0
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308095 125316918 1 N3O4H25C26 A3B4C25D26 -20.62 7.34 -8.64 -0.76 0
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308100 125316934 1 N5O5C17H19 A5B5C17D19 -95.26 4.47 -9.76 -2.31 0