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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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164745 74446362 1 N4O4C24H35 A4B4C24D35 -130.73 10.89 0.0 0.0 0
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164746 74446363 1 SN5O5H23C24 AB5C5D23E24 -104.81 5.83 -8.75 -1.94 1
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164747 74446364 1 NF2O4C22H26 AB2C4D22E26 -176.43 23.73 0.0 0.0 0
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164748 74446433 1 ClON3C15H16 ABC3D15E16 13.03 4.87 -8.38 -0.65 0
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164749 74446689 1 OSN4C27H34 ABC4D27E34 23.36 5.53 -8.36 -0.45 1
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164750 74446850 1 O2N8C25H29 A2B8C25D29 129.87 10.58 0.0 0.0 1
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164751 74446851 1 O3N8C24H27 A3B8C24D27 109.32 10.63 0.0 0.0 1
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164753 74447195 1 NO4C14H16 AB4C14D16 -104.55 2.58 0.0 0.0 0
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164754 74447858 1 BrNO4H14C16 ABC4D14E16 -96.6 4.14 -8.79 -0.99 0
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164755 74447938 1 NO4C24H29 AB4C24D29 -142.88 4.21 -8.63 -0.36 -1
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164759 74449184 1 O2N3C20H34 A2B3C20D34 -61.27 4.16 0.0 0.0 1
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164760 74449185 1 ClO2N3C22H27 AB2C3D22E27 10.93 4.26 0.0 0.0 1
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164761 74449277 1 OSN4C13H19 ABC4D13E19 55.95 2.26 0.0 0.0 1
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164762 74449278 1 N3O3C15H26 A3B3C15D26 -133.84 2.48 0.0 0.0 1
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164763 74449279 1 ClN3O3C22H25 AB3C3D22E25 -18.74 1.68 0.0 0.0 1
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164764 74449280 1 N2O3C25H35 A2B3C25D35 -67.21 3.61 0.0 0.0 1
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164767 74449680 1 FSO2N4C18H22 ABC2D4E18F22 -51.18 4.1 0.0 0.0 1
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164769 74449777 1 O2N5C20H26 A2B5C20D26 -3.32 6.44 0.0 0.0 1
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164770 74449969 1 NO3C20H28 AB3C20D28 -69.51 5.72 0.0 0.0 1
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164771 74450403 1 O2N3C24H34 A2B3C24D34 -40.8 3.83 0.0 0.0 0
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164772 74451041 1 O2N5C24H37 A2B5C24D37 -93.27 6.75 -8.8 -0.13 0
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164773 74451042 1 SO2N5C24H37 AB2C5D24E37 -62.87 8.94 -8.19 -0.28 0
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164774 74451043 1 SO2N5C26H35 AB2C5D26E35 -36.38 7.19 -8.45 -0.03 0
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164775 74451128 1 F3N3O3H26C27 A3B3C3D26E27 -182.68 4.44 -8.43 -0.25 0
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164776 74451129 1 O2F3N3C27H28 A2B3C3D27E28 -168.21 5.74 -8.51 -0.58 1
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164777 74451130 1 OSN5C24H32 ABC5D24E32 10.21 3.33 0.0 0.0 0
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164778 74451414 1 N2O5C16H28 A2B5C16D28 -235.78 4.09 -9.79 0.75 0
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164779 74451415 1 SO3N4C14H16 AB3C4D14E16 -63.12 6.38 -9.0 -0.97 0
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164780 74451531 1 N3O4C21H23 A3B4C21D23 -102.83 7.97 -8.55 -0.56 1
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164782 74451823 1 N3O3C21H32 A3B3C21D32 -104.19 9.01 0.0 0.0 1
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164785 74452709 1 ClN4O4C22H23 AB4C4D22E23 -72.42 3.93 -9.02 -1.7 1
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164786 74452729 1 FO2N3C16H23 AB2C3D16E23 -96.74 5.35 0.0 0.0 0
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164787 74453151 1 O3N6C24H38 A3B6C24D38 -92.76 7.88 -8.95 0.14 1
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164788 74453331 1 FN2O2C21H32 AB2C2D21E32 -121.55 3.57 0.0 0.0 1
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164790 74453333 1 O4N5C20H28 A4B5C20D28 -42.93 3.01 0.0 0.0 1
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164791 74453727 1 O2N6C27H41 A2B6C27D41 -15.1 6.2 0.0 0.0 1
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164792 74453905 1 O2N4C20H29 A2B4C20D29 -29.23 1.68 0.0 0.0 1
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164793 74453909 1 O2N4C21H25 A2B4C21D25 15.87 6.25 0.0 0.0 0
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164794 74454018 1 SO2N6H22C24 AB2C6D22E24 54.57 3.59 -8.83 -1.25 1
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164795 74454633 1 ClN2F3O3C22H23 AB2C3D3E22F23 -225.68 10.62 0.0 0.0 1
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164796 74454634 1 ClN3O3C22H27 AB3C3D22E27 -88.15 5.94 0.0 0.0 1
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164797 74454695 1 FSN3O3C24H27 ABC3D3E24F27 -82.97 8.48 0.0 0.0 1
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164798 74454705 1 ClNO3C21H25 ABC3D21E25 -49.09 22.68 0.0 0.0 2
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164799 74454934 2 NO2C12H22 AB2C12D22 -148.37 13.4 -6.02 -0.06 1
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164800 74454935 1 SN2O2C21H25 AB2C2D21E25 6.13 3.19 0.0 0.0 2
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164801 74454936 1 O2N5C15H21 A2B5C15D21 8.58 9.81 -7.6 -0.3 1
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164802 74455090 1 FN2O3C17H22 AB2C3D17E22 -125.62 5.46 0.0 0.0 0
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164804 74455092 1 N3O4S4C18H19 A3B4C4D18E19 -74.71 5.93 -9.05 -1.95 0
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164805 74456325 1 BrN3O4H16C18 AB3C4D16E18 -50.51 6.11 -9.42 -1.51 -1
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164806 74456638 1 ClN2S2O5C21H24 AB2C2D5E21F24 -142.61 6.91 0.0 0.0 2
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164807 74457084 1 SO2N3C25H33 AB2C3D25E33 22.75 13.68 -5.98 -0.62 1
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164808 74457305 1 ON2F3C20H28 AB2C3D20E28 -189.64 10.23 0.0 0.0 0
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164811 74457516 1 FN3O3C22H22 AB3C3D22E22 -142.55 6.42 -9.04 -0.35 0
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164812 74457517 1 IN3O3H20C21 AB3C3D20E21 -70.74 5.97 -9.16 -1.26 0
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164813 74457527 1 FN5O5C25H30 AB5C5D25E30 -207.28 5.24 -9.16 -0.95 0
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164815 74457873 1 ClO2F3N3C18H24 AB2C3D3E18F24 -230.47 4.44 0.0 0.0 0
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164817 74458239 1 O3N5C26H39 A3B5C26D39 -135.95 5.47 -9.13 -0.11 0
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164819 74458241 1 FN2O2C20H24 AB2C2D20E24 -68.06 4.03 0.0 0.0 1
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164820 74458242 1 O2N3C19H30 A2B3C19D30 -53.95 5.7 0.0 0.0 1
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164821 74458243 1 N2O3C23H29 A2B3C23D29 -61.85 5.29 0.0 0.0 1
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164822 74458244 1 N3O4C22H28 A3B4C22D28 -79.24 10.94 0.0 0.0 -1
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164823 74458245 1 SO4N5C21H28 AB4C5D21E28 -93.15 5.98 0.0 0.0 1
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164824 74458246 1 S3N5C22H26 A3B5C22D26 151.51 4.61 0.0 0.0 0
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164825 74458247 1 FSN3O4C26H28 ABC3D4E26F28 -106.7 10.75 -7.66 -0.73 1
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164827 74458249 1 BrOSN3C17H21 ABCD3E17F21 10.49 11.96 0.0 0.0 1
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164828 74458250 1 FOSN2C19H24 ABCD2E19F24 -40.15 4.77 0.0 0.0 0
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164829 74459504 1 SF2O3N5C22H27 AB2C3D5E22F27 -164.77 2.86 -8.77 -0.64 1
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164830 74459733 1 ON6C27H41 AB6C27D41 17.37 8.31 0.0 0.0 0
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164831 74459734 1 ON6C27H40 AB6C27D40 1.61 5.4 -9.18 0.1 0
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164832 74460187 1 FON6C28H35 ABC6D28E35 -3.01 4.82 -9.38 -0.31 1
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164833 74460188 1 O2N6C29H39 A2B6C29D39 19.01 8.01 0.0 0.0 0
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164834 74460189 1 O2N6C29H38 A2B6C29D38 2.56 6.82 -8.93 -0.02 1
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164835 74460190 1 O3N6C29H37 A3B6C29D37 -4.66 7.96 0.0 0.0 0
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164836 74460191 1 O3N6C29H36 A3B6C29D36 -20.31 6.14 -8.99 -0.36 0
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164837 74460455 1 FO4N6C24H33 AB4C6D24E33 -148.47 10.48 -9.46 -0.33 1
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164839 74460952 1 N3O6C28H42 A3B6C28D42 -287.97 7.72 0.0 0.0 -1
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164840 74460953 1 N4O6C25H31 A4B6C25D31 -244.36 9.13 0.0 0.0 -2
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164842 74461253 1 SO2N6C23H31 AB2C6D23E31 25.58 6.13 0.0 0.0 1
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164844 74461564 1 SN2O6C21H24 AB2C6D21E24 -209.88 7.47 -8.35 -0.87 -1
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164845 74461576 1 N3O6H20C22 A3B6C20D22 -109.62 24.18 0.0 0.0 0
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164846 74461577 1 ClSN3O5C19H24 ABC3D5E19F24 -215.58 4.45 -9.4 -0.35 -1
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164847 74461578 1 NO6C22H24 AB6C22D24 -206.39 1.73 0.0 0.0 1
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164849 74461686 1 N3O5H16C21 A3B5C16D21 13.87 8.1 0.0 0.0 1
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164850 74461950 1 BrSO2N3C19H25 ABC2D3E19F25 -35.39 13.99 0.0 0.0 1
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164851 74462217 1 O4N5C20H22 A4B5C20D22 -27.33 2.99 0.0 0.0 1
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164853 74462219 1 ClNPO3H12C13 ABCD3E12F13 -124.44 4.44 0.0 0.0 1
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164854 74462220 1 SO4N6C16H21 AB4C6D16E21 -16.18 2.67 0.0 0.0 0
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164855 74462221 1 N3O4C19H23 A3B4C19D23 -132.57 6.21 -8.53 -0.17 1
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164856 74462222 1 FO2N3C21H25 AB2C3D21E25 -80.96 6.97 0.0 0.0 1
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164857 74462223 1 SN3O4C13H24 AB3C4D13E24 -165.33 6.68 0.0 0.0 1
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164858 74462224 1 O2N3C18H26 A2B3C18D26 -51.69 3.11 0.0 0.0 2
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164859 74462225 1 N4O4C21H24 A4B4C21D24 -39.79 4.57 -8.31 -0.5 1
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164860 74462226 1 N4O4C21H23 A4B4C21D23 -26.87 4.48 0.0 0.0 0
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164861 74462227 1 SO3N4C19H28 AB3C4D19E28 -123.72 4.72 -9.25 -0.29 1
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164862 74462228 1 O3N5C23H36 A3B5C23D36 -102.3 6.31 0.0 0.0 0
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164863 74462325 1 OCl2F3N4H19C21 AB2C3D4E19F21 -142.21 3.56 -9.12 -0.82 0
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164865 74462559 1 NO3C21H34 AB3C21D34 -117.77 4.25 0.0 0.0 -1
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164866 74462560 1 NF2O6H12C19 AB2C6D12E19 -193.33 5.64 0.0 0.0 1
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164868 74462562 1 NO6H18C21 AB6C18D21 -106.93 7.2 0.0 0.0 1
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164869 74462563 1 O2N3C22H36 A2B3C22D36 -94.02 2.06 0.0 0.0 1