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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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151086 53790784 1 ClO3N5C20H24 AB3C5D20E24 -66.83 3.71 -8.58 -0.96 0
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151087 53790785 1 SN2O2C18H24 AB2C2D18E24 -84.13 4.28 -8.98 -0.5 0
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151088 53790786 1 BrC13H23 AB13C23 -26.82 2.87 -9.24 -0.19 0
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151089 53790787 1 N2O5C21H44 A2B5C21D44 -267.22 4.62 -9.02 1.11 0
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151090 53790788 1 ON4H28C33 AB4C28D33 111.52 3.37 -7.94 -0.86 0
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151091 53790789 1 N3O3C6H7 A3B3C6D7 -41.59 4.47 -10.42 -1.25 0
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151092 53790790 1 N2F3O3H9C10 A2B3C3D9E10 -245.07 2.13 -9.08 -0.95 0
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151093 53790791 1 SO5C22H36 AB5C22D36 -271.84 6.88 -9.89 -0.58 0
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151094 53790792 1 SN3O5C14H15 AB3C5D14E15 -86.01 2.86 -9.23 -0.82 0
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151095 53790793 1 O4C25H42 A4B25C42 -208.54 5.23 -9.24 0.88 0
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151096 53790794 2 NSC3H5 ABC3D5 37.88 1.83 -8.88 -0.85 0
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151097 53790795 1 FON4C19H21 ABC4D19E21 -48.96 4.62 -8.24 -0.3 0
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151098 53790796 1 ON2C7H8 AB2C7D8 20.35 7.14 -9.19 -1.15 0
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151099 53790797 1 SN2O11C58H98 AB2C11D58E98 -639.85 9.17 -9.16 -0.41 0
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151100 53790798 1 SF3N4O7C19H19 AB3C4D7E19F19 -295.12 10.29 -9.2 -1.64 0
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151101 53790799 1 ON2H10C11 AB2C10D11 55.5 3.53 -9.27 -1.4 0
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151102 53790800 1 O2C6N7H9 A2B6C7D9 -39.89 3.0 -8.16 -0.77 0
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151103 53790801 1 O4N6C21H24 A4B6C21D24 5.15 9.7 -8.5 -1.16 0
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151104 53790802 1 N4O6H40C49 A4B6C40D49 -19.95 4.54 -8.56 -1.39 0
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151105 53790803 1 OF3N9H18C21 AB3C9D18E21 -28.58 6.09 -9.1 -1.32 0
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151106 53790804 2 O3C14H18 A3B14C18 -232.62 7.83 -8.21 0.02 0
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151107 53790805 1 SN2O2C18H20 AB2C2D18E20 -23.06 4.16 -8.87 -0.32 0
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151108 53790806 1 FO4C22H35 AB4C22D35 -243.69 4.83 -9.57 0.62 0
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151109 53790807 1 SiF2C31H35 AB2C31D35 -27.55 3.63 0.0 0.0 0
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151110 53790808 1 O2N3C8H9 A2B3C8D9 -31.97 6.56 -9.38 -0.58 0
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151111 53790809 1 ON3C10H17 AB3C10D17 -38.78 5.31 -9.07 0.76 0
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151112 53790810 1 O6C27H34 A6B27C34 -210.69 8.46 -9.01 -0.9 0
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151113 53790811 1 SN7O7C36H45 AB7C7D36E45 -222.48 4.49 -8.3 -0.61 0
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151114 53790812 1 O5N6C22H24 A5B6C22D24 -8.2 5.41 -9.85 -1.61 0
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151115 53790813 1 O2N3H5C6 A2B3C5D6 -24.94 1.32 -9.67 -1.27 0
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151116 53790814 1 ClSO2F3N4H6C14 ABC2D3E4F6G14 43.49 7.65 -9.07 -2.7 0
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151117 53790815 1 ClN4C11H13 AB4C11D13 68.11 4.36 -9.34 -0.9 0
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151118 53790816 1 SCl2N4O8H28C29 AB2C4D8E28F29 -271.08 11.18 -8.91 -0.79 0
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151119 53790817 1 O2C7H10 A2B7C10 -44.86 1.85 -10.75 0.4 0
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151120 53790818 1 N2Cl6H12C21 A2B6C12D21 77.42 4.47 -9.65 -0.91 1
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151121 53790819 1 SO3N5C18H24 AB3C5D18E24 -12.94 7.21 0.0 0.0 0
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151122 53790820 1 O2C17H22 A2B17C22 -65.85 1.72 -8.85 0.0 0
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151123 53790821 2 N2O6C32H37 A2B6C32D37 -433.1 5.16 -9.46 -0.66 0
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151124 53790822 1 N6O7H56C63 A6B7C56D63 32.43 6.83 -8.33 -1.86 0
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151125 53790823 1 C10H10O13 A10B10C13 -529.19 5.68 -11.53 -1.82 0
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151126 53790824 1 NOC11H13 ABC11D13 -6.56 2.62 -7.94 0.15 0
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151127 53790825 1 N2O2C17H22 A2B2C17D22 -40.41 1.22 -8.22 -0.27 0
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151128 53790826 1 NO2C26H35 AB2C26D35 -79.1 5.06 -8.51 0.36 0
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151129 53790827 1 SN2O4H30C32 AB2C4D30E32 -49.62 5.18 -8.97 -0.42 0
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151130 53790828 2 O2C3H5 A2B3C5 -193.82 6.77 -10.96 -0.01 0
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151131 53790829 1 O2C13H14 A2B13C14 -78.72 4.51 -9.47 -0.92 0
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151132 53790830 1 BNO2C6H13 ABC2D6E13 -95.95 4.89 0.0 0.0 0
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151133 53790831 1 FO3H15C22 AB3C15D22 -64.43 0.87 -8.72 -1.03 0
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151134 53790832 1 NO7C17H29 AB7C17D29 -345.08 3.01 -9.24 -0.06 0
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151135 53790833 1 ClN2O2H11C12 AB2C2D11E12 -19.7 3.54 -9.26 -0.8 0
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151136 53790834 1 SN3O5C26H37 AB3C5D26E37 -180.85 7.23 -8.62 -0.04 0
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151137 53790835 1 ClF2N2O5H13C15 AB2C2D5E13F15 -186.88 4.39 -10.54 -1.94 0
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151138 53790836 1 N2O5C15H22 A2B5C15D22 -211.12 3.88 -8.3 -0.02 0
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151139 53790837 1 O2S2Cl3N3H18C21 A2B2C3D3E18F21 -7.58 5.43 -9.06 -1.63 0
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151140 53790838 2 ON2C12H18 AB2C12D18 -56.28 3.07 -7.95 0.35 0
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151141 53790839 1 N4H16C17 A4B16C17 85.74 8.5 -9.09 -0.83 0
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151142 53790840 1 SN2O7C30H46 AB2C7D30E46 -302.74 4.93 -10.1 -0.68 -1
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151143 53790841 1 N2O3C25H35 A2B3C25D35 -52.94 1.92 0.0 0.0 0
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151144 53790842 1 N2O3C21H26 A2B3C21D26 -85.48 1.79 -8.83 -0.36 0
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151145 53790843 1 N2O3C38H40 A2B3C38D40 -46.16 5.78 -8.7 -0.98 0
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151146 53790845 1 NSO3H13C15 ABC3D13E15 -76.51 7.93 -8.8 -1.14 0
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151147 53790846 2 N2H17C25 A2B17C25 277.19 1.41 -8.68 -0.9 0
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151148 53790847 1 O3C27H34 A3B27C34 -126.8 7.27 -8.96 -0.88 0
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151149 53790848 1 O5C22H28 A5B22C28 -195.44 3.68 -9.42 -0.56 0
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151150 53790849 1 NO4C20H31 AB4C20D31 -104.53 3.48 -10.18 -1.11 0
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151151 53790850 1 ClFON6H20C21 ABCD6E20F21 56.48 6.05 -8.9 -1.35 0
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151152 53790851 1 OSN5C13H23 ABC5D13E23 11.81 4.9 -8.6 -0.32 0
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151153 53790852 1 N2O4C15H20 A2B4C15D20 -135.83 3.2 -9.3 -0.16 0
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151154 53790853 1 BrCl2O5H19C20 AB2C5D19E20 -161.38 5.05 -9.31 -1.34 0
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151155 53790855 1 BrNOF2H4C7 ABCD2E4F7 -103.54 3.47 -10.34 -1.23 0
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151156 53790856 1 NI2O3C10H11 AB2C3D10E11 -91.7 4.46 -8.89 -2.66 0
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151157 53790857 1 SN2Cl3O3H19C23 AB2C3D3E19F23 -76.16 9.06 -8.92 -0.8 0
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151158 53790858 1 N4C27H34 A4B27C34 65.82 1.45 -7.92 0.26 1
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151159 53790859 1 N2O4H17C21 A2B4C17D21 -74.8 6.22 0.0 0.0 0
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151160 53790860 1 BrSC22H25 ABC22D25 51.1 3.55 -8.88 -1.53 0
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151161 53790861 1 O7C35H60 A7B35C60 -353.82 3.46 -9.11 1.07 0
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151162 53790862 1 NC29H43 AB29C43 -18.43 5.04 -8.98 -0.06 0
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151163 53790863 1 N2O4C25H26 A2B4C25D26 -61.0 0.59 -8.76 -0.07 0
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151164 53790864 1 FO3N5H16C17 AB3C5D16E17 1.31 5.34 -9.0 -1.75 0
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151165 53790865 1 SC14H22 AB14C22 -14.7 2.22 -8.69 0.15 0
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151166 53790866 2 NO2C20H20 AB2C20D20 -92.62 5.1 -8.63 -0.87 0
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151167 53790867 1 S2N3O4H23C28 A2B3C4D23E28 -11.87 3.67 -8.75 -1.06 0
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151168 53790868 1 NO4C28H31 AB4C28D31 -102.73 2.98 -8.87 -0.22 0
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151169 53790869 1 OSN4C8H14 ABC4D8E14 -5.36 5.22 -9.06 0.45 0
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151170 53790870 1 N2P2O6C11H20 A2B2C6D11E20 -363.86 5.66 -8.96 -0.18 0
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151171 53790871 4 OC15H24 AB15C24 -325.16 2.02 -9.55 0.85 1
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151172 53790872 1 O2N11C16H36 A2B11C16D36 -14.97 3.97 0.0 0.0 0
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151173 53790873 1 ClON5C37H40 ABC5D37E40 75.22 8.65 -8.51 -0.59 0
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151174 53790874 1 ClO2F3H20C23 AB2C3D20E23 -169.74 5.67 -9.0 -0.64 0
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151175 53790875 1 ClNC14H18 ABC14D18 4.58 4.72 -8.44 0.23 0
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151176 53790876 1 NS2C11H13 AB2C11D13 41.92 4.23 -8.67 -1.05 0
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151177 53790877 1 NO5C37H39 AB5C37D39 -76.41 4.21 -7.91 -1.66 0
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151178 53790878 1 OBr2H14C16 AB2C14D16 7.92 1.57 -9.3 -0.74 0
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151179 53790879 1 ClS2N3O5H22C24 AB2C3D5E22F24 -118.12 3.96 -9.05 -1.54 0
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151180 53790880 1 N2O3H22C24 A2B3C22D24 -51.49 4.72 -8.13 -0.34 0
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151181 53790881 1 SN2O3C23H38 AB2C3D23E38 -155.27 4.12 -9.32 -1.16 0
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151182 53790882 2 O2H6C7 A2B6C7 -118.44 1.24 -9.36 -1.15 0
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151183 53790883 2 O4C15H29 A4B15C29 -288.76 2.06 -10.54 -3.02 0
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151184 53790884 1 SN3O8C19H31 AB3C8D19E31 -367.99 7.43 -8.96 -0.69 1
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151185 53790885 1 O5N6C54H107 A5B6C54D107 -336.33 9.86 0.0 0.0 0