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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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49135 11528748 1 N3O3C10H21 A3B3C10D21 -166.24 3.35 -9.58 0.77 0
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49136 11528749 1 ON3C13H17 AB3C13D17 -21.19 3.58 -9.03 -0.46 0
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49137 11528751 1 ClNSO3H6C8 ABCD3E6F8 -70.02 7.42 -10.32 -1.54 0
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49138 11528752 1 ClNO2C11H18 ABC2D11E18 -117.03 3.63 -8.87 -0.01 0
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49139 11528753 1 O4H12C13 A4B12C13 -126.55 4.12 -8.92 -0.92 0
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49140 11528754 1 OF3C12H15 AB3C12D15 -207.94 2.21 -9.4 0.33 0
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49141 11528755 1 O3C14H16 A3B14C16 -89.93 5.79 -9.2 -0.59 0
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49142 11528756 1 N2O2C13H16 A2B2C13D16 -42.7 2.58 -9.27 -0.16 0
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49143 11528757 1 N2O2C13H16 A2B2C13D16 -50.31 3.27 -9.14 -1.07 0
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49144 11528758 2 NH6C8 AB6C8 83.05 7.13 -8.69 -0.54 0
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49145 11528759 1 FN2C14H17 AB2C14D17 6.24 1.32 -8.41 -0.15 0
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49146 11528760 1 OSN2C12H12 ABC2D12E12 21.75 5.1 -8.44 -0.77 0
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49147 11528761 1 OSN2C12H12 ABC2D12E12 25.74 5.43 -8.89 -0.99 0
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49148 11528762 2 H8C9 A8B9 101.23 1.51 -9.25 0.27 0
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49149 11528763 1 OSC14H16 ABC14D16 -2.7 3.79 -8.83 -0.19 0
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49150 11528764 1 SiO2C13H16 AB2C13D16 -38.12 5.77 -9.08 -0.43 0
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49151 11528765 1 NF2O3C10H13 AB2C3D10E13 -220.79 4.65 -9.92 0.2 0
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49152 11528766 1 NO4H11C12 AB4C11D12 -142.96 4.98 -9.26 -0.77 0
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49153 11528767 1 NO3C13H15 AB3C13D15 -74.48 5.61 -9.43 -0.82 0
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49154 11528768 1 O2N3C12H15 A2B3C12D15 -20.21 3.2 -8.32 -0.26 0
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49155 11528769 1 N3H11C15 A3B11C15 125.51 6.97 -8.96 -0.96 0
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49156 11528770 1 NO2C14H19 AB2C14D19 -66.67 3.15 -8.9 0.15 0
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49157 11528771 1 NOC15H23 ABC15D23 -69.9 4.94 -9.23 0.98 0
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49158 11528772 1 BrNO2C8H12 ABC2D8E12 -93.56 4.42 -8.73 0.18 0
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49159 11528773 1 PO2C13H15 AB2C13D15 -79.03 4.06 -9.57 0.11 0
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49160 11528774 1 SN2O3H6C10 AB2C3D6E10 -41.95 6.53 -8.91 -1.6 0
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49161 11528775 1 SN2O2H10C11 AB2C2D10E11 -19.05 6.3 -8.23 -0.46 0
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49162 11528776 1 O3C14H18 A3B14C18 -102.93 3.64 -8.86 -0.06 0
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49163 11528777 1 O3C14H18 A3B14C18 -106.05 3.96 -8.93 -0.6 0
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49164 11528778 1 N2O2C13H18 A2B2C13D18 11.79 4.92 -8.42 -0.89 0
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49165 11528779 1 N2O2C13H18 A2B2C13D18 -61.22 7.08 -9.13 -0.8 0
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49166 11528780 1 O2C15H22 A2B15C22 -17.9 1.73 -9.87 0.76 0
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49167 11528781 1 ClFN2O2C9H12 ABC2D2E9F12 -149.34 4.04 -9.28 -0.51 0
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49168 11528782 1 FN2O2C9H11 AB2C2D9E11 -113.24 2.18 -9.13 -0.47 0
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49169 11528783 1 ClO2H11C13 AB2C11D13 -41.1 2.26 -9.35 -0.65 0
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49170 11528784 1 Cl2O3H8C9 A2B3C8D9 -131.81 4.3 -9.96 -1.06 0
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49171 11528785 1 NO5H9C11 AB5C9D11 -155.63 5.31 -10.0 -1.91 0
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49172 11528786 1 NOH13C16 ABC13D16 83.27 3.5 -8.22 -0.62 0
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49173 11528787 1 NOH13C16 ABC13D16 69.59 2.82 -9.38 -0.28 0
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49174 11528788 1 NSO2C12H13 ABC2D12E13 37.57 4.32 -8.81 -0.99 0
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49175 11528789 1 SiO2N3C10H13 AB2C3D10E13 26.74 8.4 -9.27 -1.21 0
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49176 11528790 1 NSiC14H25 ABC14D25 -25.31 1.83 -7.96 0.54 0
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49177 11528791 1 N2C7O7H12 A2B7C7D12 -110.54 3.66 -10.51 -1.57 0
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49178 11528792 1 NO6C9H17 AB6C9D17 -276.05 6.1 -10.08 0.7 0
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49179 11528793 1 N2O4C11H12 A2B4C11D12 -69.69 9.51 -9.57 -1.45 0
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49180 11528794 1 O4C13H16 A4B13C16 -133.67 1.95 -9.1 -0.65 0
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49181 11528795 1 O4C13H16 A4B13C16 -33.35 3.34 -9.38 -0.16 0
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49182 11528800 1 O3C14H20 A3B14C20 -144.37 2.68 -9.94 -0.09 0
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49183 11528804 1 SiO5C9H20 AB5C9D20 -331.71 2.97 -9.49 0.7 0
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49184 11528806 2 C9H10 A9B10 40.78 0.0 -8.47 0.55 0
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49185 11528827 1 ClSN2C11H11 ABC2D11E11 48.55 4.14 -8.56 -0.64 0
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49186 11528829 1 CoSN2O3C5H12 ABC2D3E5F12 -74.58 26.18 0.0 0.0 0
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49187 11528832 1 FNOH10C15 ABCD10E15 0.13 2.92 -9.34 -0.46 0
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49188 11528843 1 N2O3H8C13 A2B3C8D13 -30.39 6.04 -9.86 -1.65 0
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49189 11528845 3 OH4C5 AB4C5 -60.21 1.38 -9.75 -1.36 0
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49190 11528847 1 O3C14H24 A3B14C24 -155.07 2.86 -9.57 0.72 0
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49191 11528880 1 NO2C15H19 AB2C15D19 -37.36 4.56 -9.34 0.63 0
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49192 11528896 1 SO3H12C13 AB3C12D13 -51.49 5.9 -9.62 -0.96 0
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49193 11528897 1 O5C12H24 A5B12C24 -201.48 4.7 -9.78 1.51 0
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49194 11528898 1 O3C15H20 A3B15C20 -108.88 5.53 -9.52 -0.3 0
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49195 11528899 1 O3C15H20 A3B15C20 -139.58 2.83 -9.2 0.36 0
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49196 11528900 1 O3C15H20 A3B15C20 -112.13 4.4 -9.72 -0.26 0
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49197 11528901 1 O3C15H20 A3B15C20 -126.54 1.76 -9.78 -0.07 0
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49198 11528902 1 SO2C14H16 AB2C14D16 -69.68 1.28 -8.94 -0.38 0
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49199 11528903 2 OC8H12 AB8C12 -100.6 1.47 -8.74 1.62 0
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49200 11528904 2 NSC6H6 ABC6D6 68.77 4.9 -8.56 -1.07 0
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49201 11528905 1 N3O4C11H11 A3B4C11D11 -38.66 5.72 -9.45 -1.58 0
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49202 11528906 1 FNO3H12C13 ABC3D12E13 -130.06 6.64 -9.68 -1.52 0
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49203 11528907 1 SF2O2N3C8H9 AB2C2D3E8F9 -139.61 3.6 -9.62 -1.08 0
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49204 11528908 1 NO4C13H15 AB4C13D15 -140.38 3.93 -9.39 -0.69 0
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49205 11528909 1 NO4C13H15 AB4C13D15 -84.12 5.79 -10.21 -1.45 0
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49206 11528950 3 OC5H8 AB5C8 -138.03 5.07 -9.55 0.54 0
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49207 11528955 1 ClON2C13H17 ABC2D13E17 -40.27 3.5 -9.46 -0.3 0
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49208 11528958 1 SO2N3C11H15 AB2C3D11E15 -61.62 6.1 -8.79 -0.72 1
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49209 11528961 1 ON2C15H29 AB2C15D29 -29.03 1.37 0.0 0.0 0