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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165842 74604175 2 SN2O2C9H9 AB2C2D9E9 -22.65 11.48 -9.42 -1.86 0
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165843 74604176 1 O2S2N3C19H27 A2B2C3D19E27 -73.44 6.57 -8.99 -1.28 1
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165844 74604177 1 ClNO7C23H25 ABC7D23E25 -231.73 5.95 0.0 0.0 0
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165845 74604226 2 NO3H12C13 AB3C12D13 -110.85 4.68 -8.71 -0.64 0
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165846 74604316 1 NO2C11H21 AB2C11D21 -107.07 11.37 -8.99 0.43 0
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165847 74604317 1 NO3C10H19 AB3C10D19 -148.93 8.67 -9.21 0.48 0
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165848 74604462 2 NO2C5H5 AB2C5D5 -105.81 3.22 -9.94 -1.79 0
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165849 74604724 1 ClNO3H14C18 ABC3D14E18 -40.47 6.75 -9.42 -1.33 0
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165850 74604818 1 NO5H23C26 AB5C23D26 -119.22 5.02 -8.7 -1.02 1
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165851 74605259 1 N3O4C20H22 A3B4C20D22 37.22 5.27 0.0 0.0 0
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165852 74605260 1 F2N2O5C23H26 A2B2C5D23E26 -257.43 4.97 -7.86 -1.17 1
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165853 74605362 1 SO2N4C22H33 AB2C4D22E33 -80.83 8.98 0.0 0.0 0
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165854 74605389 1 N3O5C23H23 A3B5C23D23 -132.74 4.85 -9.26 -1.65 -2
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165855 74605390 1 NPCl3O4H9C10 ABC3D4E9F10 -206.5 5.09 -9.96 -1.05 1
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165856 74605391 1 O2S2N4H23C26 A2B2C4D23E26 91.62 5.18 0.0 0.0 0
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165857 74605392 1 FNO7C25H30 ABC7D25E30 -266.33 4.53 -8.79 -1.19 0
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165858 74605657 1 SN3O4H17C22 AB3C4D17E22 -29.11 6.11 -8.78 -1.8 -1
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165859 74605824 1 N2Cl3O5H10C18 A2B3C5D10E18 -132.2 3.65 0.0 0.0 -1
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165860 74606002 1 ClNS2O3H17C20 ABC2D3E17F20 -8.01 6.16 0.0 0.0 0
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165861 74606095 1 N3O3C16H27 A3B3C16D27 -171.62 4.55 -9.53 0.08 0
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165862 74606211 1 OSN6C18H20 ABC6D18E20 109.62 4.96 -8.71 -1.67 0
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165863 74606575 1 BrClN3O4C20H25 ABC3D4E20F25 -179.97 4.47 -9.18 -0.73 -1
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165864 74606682 1 O3N5H16C22 A3B5C16D22 91.01 5.09 0.0 0.0 0
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165865 74606881 1 ClN3O3H18C23 AB3C3D18E23 -11.21 2.52 -9.44 -1.19 0
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165866 74606882 1 O4N5C26H39 A4B5C26D39 -169.42 5.68 -8.95 -0.33 0
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165867 74606883 1 SN3O3C21H21 AB3C3D21E21 -16.17 6.21 -9.13 -2.11 0
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165868 74607009 1 ClFOSN3H15C18 ABCDE3F15G18 10.14 2.56 -9.21 -1.0 1
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165869 74607145 1 BrO2N3C21H23 AB2C3D21E23 15.93 4.85 0.0 0.0 0
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165870 74607506 1 O4N5C26H35 A4B5C26D35 -127.89 1.19 -9.41 -0.09 1
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165871 74608311 1 O3N4C24H37 A3B4C24D37 -122.03 5.04 0.0 0.0 1
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165872 74608410 1 O2N3C28H42 A2B3C28D42 -29.4 4.19 0.0 0.0 1
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165873 74608411 1 SO2N6C22H29 AB2C6D22E29 -17.29 3.65 0.0 0.0 2
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165874 74608412 1 ON5C25H33 AB5C25D33 70.63 8.21 -5.07 -0.68 1
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165875 74608688 1 F2O2N4C21H31 A2B2C4D21E31 -149.76 4.07 0.0 0.0 1
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165876 74608769 1 ClSO2N5C22H23 ABC2D5E22F23 178.25 3.72 0.0 0.0 0
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165877 74608857 1 O3N4C30H42 A3B4C30D42 -106.85 5.59 -8.72 -0.06 0
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165878 74608997 1 N5O5C24H29 A5B5C24D29 -160.51 3.14 -9.74 -1.66 0
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165879 74609009 1 O3N10C22H34 A3B10C22D34 -15.67 11.21 -9.42 -1.28 0
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165880 74609010 1 SN4O4C21H32 AB4C4D21E32 -173.61 1.44 -9.26 -0.89 0
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165881 74609011 1 O3N5C19H29 A3B5C19D29 -120.19 8.21 -9.58 -0.75 0
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165882 74609012 1 N5O5C20H29 A5B5C20D29 -196.59 3.08 -9.83 -1.67 0
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165883 74609197 1 ClSN3O5C20H20 ABC3D5E20F20 -116.56 9.51 -8.98 -1.68 1
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165884 74609222 1 O3N4C21H27 A3B4C21D27 -71.75 1.25 0.0 0.0 0
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165885 74609262 1 SN5O5C20H23 AB5C5D20E23 -118.14 8.98 -9.34 -0.73 0
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165886 74609263 1 ClSN5O5C20H22 ABC5D5E20F22 -126.87 7.15 -9.33 -1.09 0
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165887 74609753 1 O3N5C19H27 A3B5C19D27 -79.75 5.06 -8.76 -0.29 1
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165888 74610200 1 F3O3N4H18C21 A3B3C4D18E21 -166.15 5.17 0.0 0.0 1
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165889 74610201 1 N4O4C22H23 A4B4C22D23 -48.02 2.12 0.0 0.0 1
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165890 74610343 1 O3N4C21H39 A3B4C21D39 -134.0 8.96 0.0 0.0 0
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165891 74610380 1 ClO2N6C21H25 AB2C6D21E25 -6.12 3.57 -9.16 -1.21 1