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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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337139 127256704 1 SO2C9H12 AB2C9D12 -72.96 2.43 -8.43 -0.24 0
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337140 127256705 1 SO4C7H8 AB4C7D8 -136.81 5.02 -10.67 -1.37 0
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337141 127256706 1 SO2C14H18 AB2C14D18 -62.55 1.38 -8.58 -0.71 0
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337142 127256707 1 NSO4C12H13 ABC4D12E13 -56.89 3.14 -8.55 -0.65 0
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337143 127256708 1 SO2C15H20 AB2C15D20 -102.05 2.49 -8.69 0.06 0
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337144 127256709 1 SO3C15H20 AB3C15D20 -113.07 3.71 -8.57 -0.41 0
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337148 127256713 1 NH5C8O10 AB5C8D10 -392.05 2.02 -12.37 -2.09 0
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337150 127256715 2 H5O6C7 A5B6C7 -469.64 3.97 -10.61 -2.27 0
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337151 127256716 1 BrSC9H17 ABC9D17 -28.72 11.1 -7.76 -0.47 1
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337152 127256717 1 SC9H17 AB9C17 -34.62 1.96 0.0 0.0 0
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337153 127256718 1 F2O3H10C13 A2B3C10D13 -174.92 4.88 -9.8 -1.08 0
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337154 127256719 1 NO3C14H19 AB3C14D19 -108.95 5.43 -9.23 -0.57 0
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337155 127256720 1 OCl4H8C12 AB4C8D12 -25.57 4.98 -9.88 -1.42 0
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337156 127256721 1 OCl4H8C12 AB4C8D12 -25.88 4.37 -10.06 -1.52 0
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337157 127256722 1 SF2N2O2H10C12 AB2C2D2E10F12 -115.59 5.36 -9.39 -0.97 0
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337158 127256723 1 ClO2H13C17 AB2C13D17 -6.77 3.44 -9.57 -0.88 0
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337159 127256724 1 FO2H13C17 AB2C13D17 -44.67 3.42 -9.73 -0.87 0
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337160 127256725 2 OH8C9 AB8C9 -6.61 3.86 -9.28 -0.73 0
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337161 127256726 1 BClO2H10C12 ABC2D10E12 -115.2 4.27 -9.23 -0.83 0
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337162 127256727 1 ClNC16H16 ABC16D16 52.87 2.58 -8.27 -0.36 0
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337163 127256728 1 ClN3C15H16 AB3C15D16 82.68 3.5 -8.91 -1.12 0
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337164 127256729 1 FCl3H6C12 AB3C6D12 -23.54 1.74 -9.53 -1.09 0
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337165 127256730 1 NO3C9H9 AB3C9D9 -32.0 3.01 -9.84 -1.35 0
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337166 127256731 1 O2C15H18 A2B15C18 -24.7 0.86 -9.48 0.22 0
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337167 127256732 1 NSO3C20H23 ABC3D20E23 -88.9 7.01 -9.89 -1.28 0
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337168 127256733 1 Cl2N2S3C12H24 A2B2C3D12E24 -86.56 4.66 -8.9 -1.39 0
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337169 127256734 3 OC4H4 AB4C4 -29.32 4.14 -10.22 -0.1 0
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337170 127256735 6 OC7H9 AB7C9 -282.83 2.2 -9.04 0.26 0
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337171 127256736 2 N2H7C10 A2B7C10 136.66 4.29 -9.41 -1.16 0
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337172 127256737 1 O3C24H38 A3B24C38 -180.31 3.96 -9.11 0.16 0
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337173 127256738 1 C27H44 A27B44 12.28 1.36 -9.17 0.36 0
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337174 127256739 2 O5H10C17 A5B10C17 -263.82 2.27 -9.05 -1.82 0
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337175 127256740 1 OCl4H10C13 AB4C10D13 -27.45 1.99 -9.78 -1.33 0
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337176 127256741 1 Br5H7C12 A5B7C12 67.17 3.55 -9.86 -2.03 0
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337177 127256742 1 OCl4H10C13 AB4C10D13 -18.95 4.92 -9.35 -1.15 0
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337178 127256743 1 ON2Cl4H8C12 AB2C4D8E12 61.75 3.43 -9.62 -2.0 0
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337179 127256744 1 O2Cl3H9C12 A2B3C9D12 -70.1 2.69 -9.86 -1.24 0
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337180 127256745 2 SO2N4C5H11 AB2C4D5E11 -95.21 1.9 -8.7 -0.22 0
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337181 127256746 2 ClO2N3C9H10 AB2C3D9E10 -33.23 6.75 -9.84 -0.85 0
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337182 127256747 1 N2P2S4O7C40H82 A2B2C4D7E40F82 -619.74 3.98 -9.23 -1.0 0
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337183 127256748 2 SC8H11 AB8C11 16.82 0.53 -8.55 -0.37 0
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337184 127256749 2 N2C7H9 A2B7C9 88.52 1.8 -8.93 -0.86 0
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337185 127256750 2 ClNC7H7 ABC7D7 45.53 2.23 -9.27 -0.91 0
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337186 127256751 1 Cl2N2O3C14H14 A2B2C3D14E14 -52.71 2.42 -8.33 -2.18 2
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337187 127256752 1 N2O3C14H14 A2B3C14D14 6.84 9.68 -7.94 -1.0 0
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337188 127256753 1 NO4C14H29 AB4C14D29 -224.04 4.98 -9.13 1.28 0
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337189 127256754 1 NO3C15H31 AB3C15D31 -185.75 2.22 -8.84 1.7 0
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337190 127256755 1 NO4C13H19 AB4C13D19 -163.3 3.14 -9.0 0.46 0
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337191 127256756 1 NO5C15H21 AB5C15D21 -158.1 4.92 -8.89 -0.39 0
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337192 127256757 4 O2H5C7 A2B5C7 -259.6 2.52 -7.91 -1.36 0
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337193 127256758 1 NO2C10H19 AB2C10D19 -75.94 2.41 -9.98 -0.25 0
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337194 127256759 1 N2O3C13H14 A2B3C13D14 -88.76 6.94 -8.79 -0.22 0
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337195 127256760 1 N2O9C28H30 A2B9C28D30 -331.93 6.29 -9.19 -0.63 0
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337196 127256761 1 O2N3C13H21 A2B3C13D21 -20.23 6.44 -8.59 -0.73 0
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337197 127256762 1 NO3C15H31 AB3C15D31 -187.21 4.16 -9.23 1.82 0
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337198 127256763 1 NO3C14H29 AB3C14D29 -182.85 1.14 -9.17 1.84 0
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337199 127256764 1 NO3C9H19 AB3C9D19 -158.27 3.12 -9.07 1.94 0
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337200 127256765 1 NO3C15H31 AB3C15D31 -186.49 2.66 -9.08 1.92 0
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337201 127256766 1 NO5C13H17 AB5C13D17 -208.44 7.02 -9.85 -1.37 0
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337202 127256767 1 NO3C8H17 AB3C8D17 -150.33 1.02 -9.14 1.96 0
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337203 127256768 1 NO4C15H21 AB4C15D21 -162.98 3.17 -8.69 0.27 0
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337204 127256769 2 NOC9H11 ABC9D11 -47.04 4.09 -8.0 0.22 0
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337205 127256770 1 N2O3C9H20 A2B3C9D20 -153.13 1.76 -9.09 1.78 0
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337206 127256771 1 NO2C16H21 AB2C16D21 -74.54 7.18 -8.31 -0.48 0
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337207 127256772 1 NO2C18H25 AB2C18D25 -84.58 7.28 -8.31 -0.48 0
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337208 127256773 1 INO3C23H26 ABC3D23E26 -33.12 10.34 -7.26 -1.24 0
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337209 127256774 1 O5C23H28 A5B23C28 -214.09 4.35 -9.78 -0.74 0
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337210 127256775 1 ON2C19H22 AB2C19D22 23.7 2.94 -8.39 0.0 0
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337211 127256776 2 NOH7C10 ABC7D10 33.16 1.71 -8.94 -1.58 0
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337212 127256777 2 NO2C11H12 AB2C11D12 -95.6 5.96 -8.57 -1.12 0
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337213 127256778 1 N3O4H13C17 A3B4C13D17 12.35 5.33 -9.16 -1.88 0
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337214 127256779 1 N2O7C27H36 A2B7C27D36 -217.17 1.47 -10.18 -1.84 0
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337215 127256780 1 Br2S2N5O6C19H27 A2B2C5D6E19F27 -218.52 7.26 -8.66 -1.41 0
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337216 127256781 2 NO2C4H5 AB2C4D5 -134.25 4.04 -9.16 -0.51 0
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337217 127256782 1 ON2C18H20 AB2C18D20 0.65 5.1 -8.11 -0.03 0
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337218 127256783 1 O3H12C16 A3B12C16 -32.65 1.23 -8.82 -1.01 0
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337219 127256784 1 ClO2H9C15 AB2C9D15 -3.86 3.5 -9.54 -1.26 0
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337220 127256785 1 BrO2H9C15 AB2C9D15 8.14 3.94 -9.52 -1.27 0
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337221 127256786 3 OC4H4 AB4C4 -86.89 3.43 -9.46 -0.95 0
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337222 127256787 1 NSO3H15C16 ABC3D15E16 -63.73 3.64 -8.18 -0.97 0
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337223 127256788 1 NSO3C11H11 ABC3D11E11 -86.44 2.87 -8.71 -0.48 0
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337224 127256789 1 NSO3C12H13 ABC3D12E13 -97.47 3.0 -8.75 -0.54 0
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337225 127256790 1 NSO3H11C14 ABC3D11E14 -49.47 3.98 -8.51 -1.08 0
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337226 127256791 1 NSO3C11H11 ABC3D11E11 -94.17 3.17 -8.75 -0.54 0
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337227 127256792 1 NSO3C11H13 ABC3D11E13 -96.54 1.16 -8.55 -0.31 0
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337228 127256793 1 N2O4S4C19H20 A2B4C4D19E20 -88.65 6.22 -8.32 -1.59 0
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337229 127256794 1 NSO3C12H13 ABC3D12E13 -83.02 3.59 -8.32 -0.12 0
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337230 127256795 1 N2O3S3H16C17 A2B3C3D16E17 -60.21 4.64 -8.35 -1.54 0
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337231 127256796 1 NO4C12H13 AB4C12D13 -128.31 2.77 -8.98 -0.43 0
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337232 127256797 1 NSO3H13C15 ABC3D13E15 -40.26 2.82 -8.87 -1.55 0
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337233 127256798 1 ClN2O4H9C13 AB2C4D9E13 -99.3 2.43 -8.93 -1.21 0
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337234 127256799 1 NOC9H15 ABC9D15 -70.11 4.68 -9.22 1.24 0
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337235 127256800 1 ON4H14C17 AB4C14D17 98.88 11.03 -8.62 -1.43 0
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337236 127256801 1 O2N4C13H14 A2B4C13D14 25.44 9.01 -8.71 -1.34 0
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337237 127256802 2 ON2H8C9 AB2C8D9 58.33 11.79 -8.52 -1.37 0
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337238 127256803 1 OSN2C14H14 ABC2D14E14 39.15 2.78 -8.56 -0.74 0
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337239 127256804 1 NF3O3C14H14 AB3C3D14E14 -260.91 10.37 -8.99 -0.92 0
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337240 127256805 1 O2N5C23H25 A2B5C23D25 59.14 3.9 -8.29 -1.24 0
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337241 127256806 1 S2N3O3C20H21 A2B3C3D20E21 10.74 8.51 -9.08 -1.22 0
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337242 127256807 1 O3N9C29H29 A3B9C29D29 40.52 2.53 -8.01 -1.31 0