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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392785 135017969 1 NSO3C19H19 ABC3D19E19 -33.62 7.16 -8.69 -0.45 0
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392787 135017977 1 SN2O2C20H20 AB2C2D20E20 -8.19 4.87 -8.67 -0.23 0
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392788 135017980 1 NOC15H19 ABC15D19 6.72 4.95 -8.73 -0.12 0
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392789 135017982 1 O3H12C17 A3B12C17 -42.58 5.8 -9.12 -1.86 0
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392790 135017985 1 O7C21H26 A7B21C26 -277.72 5.15 -9.52 -1.04 0
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392791 135017986 1 O5H16C17 A5B16C17 -158.19 3.84 -9.02 -0.9 0
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392792 135017987 1 ON3C17H17 AB3C17D17 42.55 2.58 -7.92 -0.54 0
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392793 135017988 2 N2H15C16 A2B15C16 157.97 2.71 -7.43 -0.17 0
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392794 135017989 1 SN2C17H18 AB2C17D18 65.78 1.18 -7.54 -0.42 0
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392795 135017990 1 ON3H19C21 AB3C19D21 62.48 1.7 -7.58 -1.03 0
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392796 135017991 1 O3N4C11H16 A3B4C11D16 -113.15 3.37 -9.81 -0.8 0
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392797 135017993 1 NSeO6C14H27 ABC6D14E27 -255.07 2.37 -8.44 0.05 0
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392798 135017994 1 SSeO5C15H22 ABC5D15E22 -206.02 3.18 -8.61 -1.01 1
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392799 135017995 1 N3C22H22 A3B22C22 109.19 1.75 0.0 0.0 0
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392800 135017996 1 SiN5O5C19H31 AB5C5D19E31 -238.96 5.61 -8.82 -0.71 0
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392801 135017997 2 OC6H10 AB6C10 -109.54 2.06 -9.9 0.73 0
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392802 135018008 1 N2C15H16 A2B15C16 66.21 1.67 -8.17 -0.27 0
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392803 135018010 1 N2H20C29 A2B20C29 113.56 1.7 -7.86 -0.76 0
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392804 135018012 1 FN2H17C28 AB2C17D28 75.36 3.52 -7.98 -0.9 0
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392805 135018014 1 ON2H20C29 AB2C20D29 82.55 1.76 -7.88 -0.79 0
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392806 135018016 1 NO8C41H47 AB8C41D47 -257.15 6.01 -9.38 -0.13 0
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392807 135018017 1 O7C37H40 A7B37C40 -206.78 4.86 -9.48 -0.1 0
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392808 135018022 2 O3C11H12 A3B11C12 -188.11 4.17 -8.5 -0.89 0
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392809 135018029 1 NO2C20H21 AB2C20D21 -40.27 2.87 -7.83 -0.33 0
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392810 135018030 1 BrSN3O4H22C25 ABC3D4E22F25 -91.39 5.18 -8.72 -0.97 0
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392811 135018033 1 SN2O3H20C22 AB2C3D20E22 31.97 4.64 -8.25 -0.84 0
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392812 135018035 1 NSO9H25C26 ABC9D25E26 -330.9 1.77 -8.81 -1.33 0
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392813 135018037 1 Si2O3C26H46 A2B3C26D46 -235.97 2.23 -8.51 0.26 0
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392814 135018040 1 ClION4H10C13 ABCD4E10F13 86.95 4.26 -9.1 -1.75 0
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392815 135018041 1 ClON5H10C14 ABC5D10E14 100.63 6.66 -9.2 -1.77 0
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392816 135018043 1 NO2H17C22 AB2C17D22 45.85 4.99 -8.52 -0.77 0
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392817 135018046 1 N3O4C20H27 A3B4C20D27 -177.23 2.27 -9.51 -0.1 0
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392818 135018047 1 N3O4C20H27 A3B4C20D27 -177.3 2.22 -9.52 -0.1 0
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392819 135018050 1 NO2H21C32 AB2C21D32 60.77 2.8 -8.65 -0.89 1
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392820 135018052 1 N3C22H22 A3B22C22 110.32 1.32 0.0 0.0 0
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392821 135018054 1 IO2Si2C21H47 AB2C2D21E47 -260.16 1.97 -8.75 -0.85 0
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392822 135018055 1 NSSiO5C37H51 ABCD5E37F51 -237.69 4.69 -8.82 -0.16 0
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392823 135018062 1 NSO4C20H23 ABC4D20E23 -85.05 6.49 -9.88 -0.95 0
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392824 135018088 1 BrN2O5C33H35 AB2C5D33E35 -153.05 7.45 -8.1 -0.63 0
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392825 135018089 1 SeO6C19H28 AB6C19D28 -257.7 4.59 -8.36 -0.47 0
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392826 135018112 1 BrOC11H15 ABC11D15 23.15 1.55 -10.36 -0.18 0
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392827 135018129 1 NOCl2H13C16 ABC2D13E16 -14.59 2.01 -9.02 -0.63 0
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392828 135018130 1 F2O5H18C19 A2B5C18D19 -250.96 5.33 -9.66 -0.78 0
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392829 135018133 2 NSSiO3C11H20 ABCD3E11F20 -323.75 4.05 -8.93 -0.99 0
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392830 135018134 1 NO4C23H25 AB4C23D25 -107.34 2.81 -8.78 -0.68 0
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392831 135018135 1 NSiO3C18H27 ABC3D18E27 -153.03 3.08 -9.31 0.26 0
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392832 135018137 1 SiN2O3H32C34 AB2C3D32E34 -29.47 4.94 -8.55 -0.21 0
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392833 135018138 1 O19C28H38 A19B28C38 -858.06 1.99 -10.17 0.2 0
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392834 135018139 1 SO17C32H40 AB17C32D40 -748.49 4.56 -8.65 -0.16 0
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392835 135018141 1 SeO17C33H42 AB17C33D42 -752.32 0.93 -8.73 -0.66 0
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392836 135018142 1 SeO9C21H26 AB9C21D26 -383.22 3.32 -8.66 -0.49 0
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392837 135018144 1 ClNOH14C21 ABCD14E21 74.3 5.91 -9.07 -1.08 0
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392838 135018146 1 SO17C32H40 AB17C32D40 -745.6 2.72 -8.77 -0.21 0
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392839 135018149 1 NOH21C28 ABC21D28 106.34 4.69 -8.97 -1.0 0
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392840 135018153 1 SN2O13C69H70 AB2C13D69E70 -230.64 4.62 -9.05 -1.9 0
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392841 135018157 2 OH9C12 AB9C12 44.84 1.13 -9.43 -0.95 0
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392842 135018161 1 NSO7C35H39 ABC7D35E39 -250.03 4.86 -8.38 -0.64 0
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392843 135018166 1 NOC13H21 ABC13D21 -60.54 3.8 -8.8 -0.05 0
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392844 135018171 1 NO2H23C28 AB2C23D28 3.03 2.63 -8.9 -0.73 0
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392845 135018172 1 OC15H18 AB15C18 14.3 1.57 -8.76 0.24 0
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392846 135018173 1 O5C21H22 A5B21C22 -154.53 5.62 -8.99 -0.84 0
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392847 135018174 1 C15H26 A15B26 -39.81 0.05 -9.8 3.45 0
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392848 135018180 1 O2C21H22 A2B21C22 -39.24 2.57 -8.7 -0.1 0
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392849 135018181 1 ClF2O2C21H21 AB2C2D21E21 -132.07 2.22 -9.43 -0.08 0
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392850 135018182 1 F2O2C21H24 A2B2C21D24 -154.43 1.98 -9.39 0.02 0
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392851 135018186 1 N2O12C19H28 A2B12C19D28 -550.57 3.85 -9.96 0.19 0
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392852 135018187 1 O5C34H36 A5B34C36 -98.96 2.66 -9.18 0.15 0
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392853 135018188 1 OCl2N2H12C15 AB2C2D12E15 -3.33 4.55 -9.08 -0.7 0
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392854 135018189 1 F2O5H18C19 A2B5C18D19 -247.97 5.7 -9.74 -0.87 0
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392855 135018191 1 N2O3C21H22 A2B3C21D22 -86.55 4.29 -9.48 -0.8 0
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392856 135018194 1 NSO4C21H27 ABC4D21E27 -128.21 4.39 -8.5 0.27 0
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392857 135018195 1 NSO2C19H21 ABC2D19E21 -30.96 4.36 -9.17 0.37 0
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392858 135018196 1 BrN2O3H13C18 AB2C3D13E18 31.73 8.16 -9.39 -1.22 0
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392859 135018197 1 BrON2H15C18 ABC2D15E18 7.2 2.34 -8.62 -0.59 0
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392860 135018201 1 O4N5C15H15 A4B5C15D15 -22.81 11.06 -9.59 -1.89 0