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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166794 74734724 1 SO2N3C22H26 AB2C3D22E26 54.59 19.4 0.0 0.0 1
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166795 74734926 1 F3N3C17H19 A3B3C17D19 -84.85 3.13 0.0 0.0 0
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166796 74734927 1 F3N3C17H18 A3B3C17D18 -97.66 3.27 -9.18 -1.0 1
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166797 74734928 1 OF3N3C22H23 AB3C3D22E23 -85.84 4.28 0.0 0.0 0
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166798 74734929 1 OF3N3C22H22 AB3C3D22E22 -103.93 4.15 -9.18 -0.98 1
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166799 74735261 1 N4O5C24H33 A4B5C24D33 -135.03 8.47 0.0 0.0 0
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166800 74735451 1 O3N5C28H33 A3B5C28D33 -23.98 2.29 -7.83 -0.44 1
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166801 74735574 1 SO3N5C25H30 AB3C5D25E30 13.54 6.5 0.0 0.0 0
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166802 74735575 1 SO3N5C25H29 AB3C5D25E29 -19.42 6.51 -8.57 -0.66 1
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166803 74735576 1 O2N5C19H28 A2B5C19D28 5.05 4.71 0.0 0.0 0
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166804 74735577 1 O2N5C19H27 A2B5C19D27 -28.31 6.25 -8.5 0.22 1
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166805 74735820 1 O3N5C27H40 A3B5C27D40 -53.77 4.48 0.0 0.0 2
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166806 74735937 1 O2N3S3C17H29 A2B3C3D17E29 44.49 5.79 -6.15 -1.01 2
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166807 74735938 1 O2S2N3C19H31 A2B2C3D19E31 5.13 6.51 -7.32 -0.76 2
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166808 74735939 1 S2N3O3C20H33 A2B3C3D20E33 -38.09 8.54 -7.82 -0.67 2
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166809 74735940 1 OS2N4C17H34 AB2C4D17E34 -54.95 4.87 -8.35 0.36 2
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166810 74735941 1 OS2N4C19H32 AB2C4D19E32 110.05 9.38 -3.0 -0.18 2
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166811 74736366 2 ON3C14H18 AB3C14D18 99.2 17.08 -3.9 -0.87 0
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166812 74737042 1 SN3O8C17H21 AB3C8D17E21 -256.44 5.14 -10.01 -1.29 0
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166813 74737051 1 SN2O6C17H24 AB2C6D17E24 -235.04 5.61 -9.5 -0.69 1
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166814 74737262 1 BrN3O3C20H27 AB3C3D20E27 -105.8 13.47 0.0 0.0 0
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166815 74737286 1 ClO2N7C23H26 AB2C7D23E26 16.04 4.52 -8.8 -0.2 1
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166816 74737372 1 N7C26H38 A7B26C38 98.35 8.12 0.0 0.0 1
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166817 74737608 1 N2O5C29H39 A2B5C29D39 -162.84 5.05 0.0 0.0 1
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166818 74738015 1 ClOS2N3H17C20 ABC2D3E17F20 82.71 15.73 0.0 0.0 1
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166819 74738016 1 FSN3O5C23H29 ABC3D5E23F29 -175.26 4.39 0.0 0.0 1
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166820 74738017 1 N3O3C23H34 A3B3C23D34 -114.69 8.16 0.0 0.0 1
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166821 74738018 1 N3O3C23H30 A3B3C23D30 -73.48 2.11 0.0 0.0 1
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166822 74738322 1 BrFO2N3C22H24 ABC2D3E22F24 -5.27 15.82 0.0 0.0 1
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166823 74738773 1 O4N6C21H27 A4B6C21D27 -77.02 3.76 0.0 0.0 1
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166824 74739134 1 N2O8C28H35 A2B8C28D35 -235.12 8.79 0.0 0.0 1
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166825 74739583 1 SCl2O3N6C20H21 AB2C3D6E20F21 55.98 4.39 0.0 0.0 0
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166826 74739835 1 SO2N3C29H31 AB2C3D29E31 -16.94 7.7 -8.51 -1.21 -1
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166827 74739836 1 S2N3O5H14C19 A2B3C5D14E19 -20.83 4.44 0.0 0.0 1
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166828 74740067 1 SN5O5C21H28 AB5C5D21E28 -82.95 8.06 0.0 0.0 1
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166829 74740493 1 S2O4N5C17H18 A2B4C5D17E18 -2.39 35.96 0.0 0.0 1
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166830 74740768 1 O2N4C24H33 A2B4C24D33 -38.54 3.72 0.0 0.0 1
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166831 74740769 1 ClO2N4C23H30 AB2C4D23E30 -49.89 3.39 0.0 0.0 1
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166832 74740770 1 O2N4C24H33 A2B4C24D33 -48.8 3.33 0.0 0.0 1
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166833 74740862 1 FON3C24H31 ABC3D24E31 -53.85 5.23 0.0 0.0 1
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166834 74740863 1 FON3C24H31 ABC3D24E31 -53.0 5.07 0.0 0.0 1
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166835 74740864 1 ON3C26H36 AB3C26D36 -14.49 3.31 0.0 0.0 1
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166836 74740865 1 ON3C26H36 AB3C26D36 -19.15 6.24 0.0 0.0 1
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166837 74740934 1 FO2N4C26H34 AB2C4D26E34 -100.16 3.56 0.0 0.0 0
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166838 74740992 1 SF2O3N5C21H27 AB2C3D5E21F27 -189.24 3.37 -8.84 -0.5 2
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166839 74741057 1 F2N4O5C20H28 A2B4C5D20E28 -253.71 6.6 -7.53 -0.77 -1
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166840 74741269 1 ClNO7H21C22 ABC7D21E22 -183.99 10.04 0.0 0.0 -1
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166841 74741325 1 S2N4O4H19C25 A2B4C4D19E25 44.76 13.94 0.0 0.0 0
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166842 74742234 1 SN2O6C28H30 AB2C6D28E30 -119.17 6.65 -8.83 -1.26 1
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166843 74742614 1 N3O3C24H26 A3B3C24D26 -17.01 5.51 0.0 0.0 1