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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397106 135029742 1 NSBr2O5C20H23 ABC2D5E20F23 -129.41 3.01 -8.46 -0.52 0
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397108 135029744 1 ClO2C18H19 AB2C18D19 -72.99 3.83 -9.27 -0.3 0
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397109 135029746 1 O2F3H13C16 A2B3C13D16 -183.42 2.23 -9.29 -0.26 0
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397110 135029748 1 ClOC20H25 ABC20D25 -41.18 2.88 -8.73 -0.2 0
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397111 135029749 1 NOC22H25 ABC22D25 9.41 1.5 -9.22 0.05 0
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397112 135029750 1 NO2C18H25 AB2C18D25 -57.3 1.61 -9.49 0.13 0
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397113 135029751 1 NOSC19H23 ABCD19E23 -1.48 1.97 -9.02 -0.24 0
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397114 135029752 1 NOSH13C20 ABCD13E20 64.51 2.68 -8.73 -0.99 0
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397115 135029753 1 NO5H21C27 AB5C21D27 -117.38 1.53 -9.01 -1.4 0
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397116 135029754 1 ClO4C31H45 AB4C31D45 -179.92 6.4 -9.22 -0.4 0
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397117 135029755 1 N3O3H15C16 A3B3C15D16 -23.52 3.52 -8.99 -1.18 0
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397118 135029756 1 O2N3C17H17 A2B3C17D17 -6.2 5.83 -9.13 -1.12 0
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397119 135029757 1 N2O3H18C19 A2B3C18D19 -38.66 4.06 -8.74 -0.92 1
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397120 135029758 1 N3C19H20 A3B19C20 115.39 3.2 0.0 0.0 1
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397121 135029759 1 N3C19H20 A3B19C20 127.73 2.73 0.0 0.0 0
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397122 135029760 1 ON3C19H21 AB3C19D21 57.3 4.13 -8.72 -0.4 0
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397123 135029761 2 N2O2C11H13 A2B2C11D13 -99.77 3.53 -8.76 -0.68 0
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397124 135029762 1 ON2C12H16 AB2C12D16 -13.74 3.74 -8.79 -0.04 0
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397125 135029763 1 NOSH15C18 ABCD15E18 72.78 4.85 -9.09 -0.93 0
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397126 135029764 1 SN2O3C21H22 AB2C3D21E22 -64.0 6.45 -9.23 -0.52 0
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397127 135029765 1 SN2O3C21H22 AB2C3D21E22 -44.07 7.94 -9.29 -0.84 0
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397128 135029766 1 SN2O7C26H34 AB2C7D26E34 -299.65 8.31 -9.22 -0.41 0
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397130 135029769 1 ISN3O7C29H34 ABC3D7E29F34 -152.22 6.25 -9.0 -1.83 0
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397131 135029770 1 ISN3O5C24H24 ABC3D5E24F24 -32.09 5.49 -9.53 -1.92 0
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397132 135029772 1 N3O3H23C25 A3B3C23D25 49.81 11.6 -8.44 -1.25 0
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397134 135029775 1 N2O3H20C21 A2B3C20D21 -3.15 2.63 -8.47 -1.05 0
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397135 135029776 1 OSiC20H24 ABC20D24 -13.26 3.36 -8.8 -0.37 0
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397136 135029777 1 ON3H23C24 AB3C23D24 76.51 2.31 -8.84 -0.53 0
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397137 135029778 1 O3H20C25 A3B20C25 10.45 7.02 -8.85 -0.9 0
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397138 135029779 1 O2H24C27 A2B24C27 -21.82 4.6 -9.04 -0.25 0
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397139 135029780 1 BrH23C25 AB23C25 42.48 1.95 -8.81 0.12 0
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397140 135029781 2 H15C16 A15B16 81.1 0.34 -8.76 0.0 0
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397141 135029783 1 NSiO9C36H71 ABC9D36E71 -581.96 2.15 -9.2 0.15 0
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397142 135029784 1 NPO6C13H26 ABC6D13E26 -362.44 4.52 -9.48 0.69 0
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397143 135029786 1 ON2C26H26 AB2C26D26 31.49 3.14 -9.22 -0.49 0
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397144 135029790 1 NSO4C17H19 ABC4D17E19 -129.06 3.78 -9.54 -0.5 0
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397145 135029794 1 N2O5C14H16 A2B5C14D16 -170.24 5.92 -9.86 -1.29 0
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397146 135029798 1 NO2H17C18 AB2C17D18 -16.54 5.99 -9.38 -0.8 0
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397147 135029802 1 FNSO3H12C15 ABCD3E12F15 -95.23 7.22 -9.68 -1.02 0
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397148 135029803 1 BrNSO3H12C15 ABCD3E12F15 -44.55 7.22 -9.72 -1.03 0
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397149 135029806 1 NSO4H15C16 ABC4D15E16 -85.02 5.51 -9.0 -0.74 0
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397150 135029808 1 NS2O3H15C16 AB2C3D15E16 -43.61 6.44 -8.48 -0.79 0
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397151 135029809 1 OC10H14 AB10C14 -38.49 1.53 -8.73 0.32 0
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397152 135029812 1 SO2C12H12 AB2C12D12 -10.96 3.0 -9.29 -0.47 0
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397153 135029813 1 O2C21H28 A2B21C28 -58.61 2.08 -8.91 0.33 0
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397154 135029814 2 NO3C13H13 AB3C13D13 -212.13 3.32 -9.07 -0.62 0
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397155 135029815 1 ClFN2O5H12C19 ABC2D5E12F19 -194.98 3.06 -9.66 -1.26 0
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397156 135029816 1 N2O5C22H26 A2B5C22D26 -112.2 3.21 -7.77 -0.63 0
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397157 135029817 1 SN2O3H12C15 AB2C3D12E15 -71.46 4.64 -8.76 -1.46 0
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397158 135029818 1 SO2N3H11C14 AB2C3D11E14 26.81 8.34 -9.11 -1.25 0
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397159 135029819 1 SO2N3H13C15 AB2C3D13E15 17.22 7.33 -8.95 -1.12 0
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397160 135029820 1 SO2N3H13C15 AB2C3D13E15 15.5 8.71 -9.05 -1.16 0
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397161 135029821 1 BrSO2N3H10C14 ABC2D3E10F14 28.67 9.57 -9.24 -1.37 0
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397162 135029822 1 BrSO2N3H12C15 ABC2D3E12F15 17.28 10.2 -9.18 -1.27 0
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397163 135029823 1 SN4O4H10C14 AB4C4D10E14 22.98 12.65 -9.44 -1.55 0
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397164 135029824 1 SN4O4H12C15 AB4C4D12E15 13.42 13.75 -9.26 -1.48 0
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397165 135029825 1 SN3O3H13C15 AB3C3D13E15 -16.39 8.38 -9.05 -1.2 0
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397166 135029826 1 SN3O3H15C16 AB3C3D15E16 -25.8 8.86 -8.87 -1.14 0
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397167 135029827 1 NOC19H19 ABC19D19 18.18 3.58 -9.02 -0.66 0
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397168 135029828 1 NO2H17C19 AB2C17D19 -7.58 2.15 -8.96 -0.83 0
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397169 135029829 2 NOC8H9 ABC8D9 -36.58 0.42 -9.33 -0.66 0
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397170 135029832 1 ClO7H25C27 AB7C25D27 -232.74 6.2 -8.96 -0.6 0
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397171 135029834 1 NS2O3C24H27 AB2C3D24E27 -63.3 5.92 -8.48 -0.42 0
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397172 135029836 1 NO5F6C29H35 AB5C6D29E35 -553.82 7.43 -9.69 -1.09 0
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397173 135029839 1 NSF3O3H16C17 ABC3D3E16F17 -213.04 8.42 -9.13 -0.61 0
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397175 135029846 1 SN2O2C24H28 AB2C2D24E28 -58.16 3.47 -9.22 0.04 0
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397178 135029850 1 N2O2H22C25 A2B2C22D25 21.83 3.36 -8.91 -0.85 0
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397179 135029851 1 SiO2C21H26 AB2C21D26 -56.06 3.06 -8.78 -0.23 0
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397180 135029852 1 NO2C21H23 AB2C21D23 -48.94 3.14 -9.39 0.22 0
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397181 135029853 1 SiO3C18H22 AB3C18D22 -94.13 5.06 -9.56 -0.66 0
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397183 135029855 1 OSiC20H22 ABC20D22 5.21 3.64 -8.87 -0.38 0
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397184 135029856 1 N3O3H9C10 A3B3C9D10 -9.54 5.59 -9.39 -1.32 0
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397185 135029857 2 H20C21 A20B21 110.39 0.23 -8.46 0.25 0
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397186 135029858 2 H20C21 A20B21 203.13 1.02 -7.53 -1.17 0
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397187 135029859 1 C25H26 A25B26 35.95 0.59 -8.65 0.7 0
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397188 135029860 2 H19C21 A19B21 356.77 1.52 -5.9 -3.09 0
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397189 135029861 2 H24C25 A24B25 102.77 0.24 -8.58 0.39 0
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397190 135029863 1 O3C28H28 A3B28C28 -73.28 3.95 -8.95 -0.68 0
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397191 135029864 1 BrOH21C25 ABC21D25 20.73 2.4 -9.06 -0.73 0
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397192 135029865 1 OBr2H20C25 AB2C20D25 27.3 4.04 -9.18 -0.94 0
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397193 135029867 1 O3H28C29 A3B28C29 -73.58 3.7 -8.88 -0.66 0
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397194 135029868 2 OC14H14 AB14C14 -48.65 2.39 -8.79 -0.1 0
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397195 135029869 1 O3C10H12 A3B10C12 -34.57 2.12 -9.43 -0.34 0
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397196 135029871 1 N2O5H18C19 A2B5C18D19 -144.16 2.14 -8.74 -1.11 0
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397197 135029877 1 NO2H11C16 AB2C11D16 9.67 1.08 -8.8 -1.02 0
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397198 135029878 1 NOC19H19 ABC19D19 17.7 3.87 -8.95 -0.59 0
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397199 135029879 1 NO5C11H13 AB5C11D13 -190.4 2.95 -8.68 -0.92 0
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397200 135029880 1 OSH18C20 ABC18D20 25.55 2.14 -8.35 -0.14 0
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397201 135029881 1 OSH16C19 ABC16D19 28.14 2.72 -8.39 -0.23 0
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397202 135029882 1 N2O3H16C23 A2B3C16D23 26.33 1.88 -8.8 -1.06 0
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397203 135029884 1 PO4C56H69 AB4C56D69 -213.44 3.73 -8.71 -0.95 0
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397207 135029890 4 H5C6 A5B6 88.05 0.88 -8.69 -0.04 0
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397208 135029891 1 NSO2H27C30 ABC2D27E30 17.92 4.64 -8.68 -0.33 0
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397209 135029893 1 SO2N3C17H19 AB2C3D17E19 -57.67 8.89 -8.31 -0.98 0
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397210 135029894 1 PO3H13C14 AB3C13D14 -97.64 3.31 -9.38 -0.24 0
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397211 135029895 1 N3O5C29H39 A3B5C29D39 -148.26 4.45 -9.19 -0.07 0
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397212 135029896 1 N2O6C29H38 A2B6C29D38 -193.62 4.65 -9.56 -0.07 0
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397213 135029897 1 FN2O4H17C20 AB2C4D17E20 -137.99 2.06 -9.09 -0.85 0
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397214 135029898 1 O2N3C18H19 A2B3C18D19 9.37 4.57 -8.64 -0.29 0
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397215 135029899 1 ClO7C28H31 AB7C28D31 -260.69 3.91 -8.68 -0.53 0