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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146769 53746209 1 NO2C22H23 AB2C22D23 -37.18 4.27 -8.62 -0.76 0
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146770 53746658 1 O2N3C9H13 A2B3C9D13 -40.95 4.34 -9.32 0.3 0
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146771 53746921 1 BrNSO4C19H26 ABCD4E19F26 -161.96 3.46 -8.85 -0.46 0
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146772 53747092 1 SO3N4H66C84 AB3C4D66E84 252.67 3.71 -7.91 -0.64 0
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146773 53747510 1 NO6C23H23 AB6C23D23 -94.77 5.29 -6.99 -1.0 0
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146774 53747565 1 FNO2C18H20 ABC2D18E20 -109.18 2.59 -8.55 -0.36 0
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146775 53747872 1 SN2O5C13H20 AB2C5D13E20 -168.55 7.16 -9.54 -0.67 0
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146776 53747914 1 NO2C21H41 AB2C21D41 -158.38 3.09 -9.25 0.74 0
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146777 53748090 1 O5C59H96 A5B59C96 -294.2 2.69 -8.79 -0.81 0
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146778 53748091 1 ClOH13C15 ABC13D15 -17.92 4.5 -9.24 -0.72 0
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146779 53748265 1 SO5C20H34 AB5C20D34 -262.49 2.62 -9.04 0.14 0
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146780 53748600 1 BrClN4O6C26H32 ABC4D6E26F32 -143.96 9.95 -8.69 -1.95 0
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146781 53748730 1 SO3C12H16 AB3C12D16 -115.95 4.19 -9.32 -0.65 0
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146782 53748824 1 SO2N3C35H35 AB2C3D35E35 26.81 4.95 -9.21 -0.13 1
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146783 53749188 1 NC22H34 AB22C34 39.39 7.25 0.0 0.0 0
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146784 53749435 1 O2C31H60 A2B31C60 -214.18 2.18 -9.52 0.64 0
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146785 53749436 1 SN3C16H21 AB3C16D21 62.8 2.13 -8.7 -0.55 0
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146786 53750132 2 OPC14H20 ABC14D20 -97.39 1.01 -8.09 0.35 0
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146787 53750340 1 N2O3H28C37 A2B3C28D37 76.27 3.23 -8.92 -0.43 0
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146788 53750341 1 O3N6C28H38 A3B6C28D38 -69.02 1.89 -8.52 -0.09 0
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146789 53750441 1 O4C21H26 A4B21C26 -144.98 5.95 -9.66 -0.33 0
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146790 53751112 1 SN2O6C15H18 AB2C6D15E18 -143.25 8.48 -9.38 -1.31 0
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146791 53751155 1 NO3H9C10 AB3C9D10 -86.96 6.68 -9.21 -1.12 0
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146792 53751885 1 P2C5O11H12 A2B5C11D12 -583.08 4.65 -10.66 -1.07 1
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146793 53751886 1 ClSO4N5C20H27 ABC4D5E20F27 -57.24 7.58 0.0 0.0 0
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146794 53751901 1 S2N6O16H34C45 A2B6C16D34E45 -415.34 3.22 -8.91 -2.19 0
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146795 53751902 1 NF2C23H31 AB2C23D31 -122.15 2.95 -9.69 -0.48 0
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146796 53751903 1 NC17H21 AB17C21 28.61 2.43 -9.0 0.51 0
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146797 53752138 1 OSiCl2C12H20 ABC2D12E20 -125.55 4.23 -8.61 -0.26 0
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146798 53752202 1 ClN4O6C17H17 AB4C6D17E17 -117.35 4.99 -10.09 -1.69 0
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146799 53752328 1 ON4H14C18 AB4C14D18 104.68 2.9 -9.07 -1.06 0
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146800 53752853 1 NPSO3C6H12 ABCD3E6F12 -191.97 4.5 -9.46 -0.03 0
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146801 53752854 1 SN3O6C15H15 AB3C6D15E15 -174.56 5.21 -9.68 -1.32 0
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146802 53752855 1 N2O2H8C11 A2B2C8D11 2.98 2.9 -9.51 -0.91 1
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146803 53752856 1 ON2C16H21 AB2C16D21 -31.34 5.5 0.0 0.0 0
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146804 53753087 1 NO2C11H11 AB2C11D11 -1.82 5.78 -9.39 -0.63 0
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146805 53753181 1 OC63H92 AB63C92 -108.25 1.53 -8.16 -0.26 0
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146806 53753306 1 NO5C8H13 AB5C8D13 -145.32 1.6 -10.96 -0.91 0
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146807 53753307 1 ClO3N6C21H25 AB3C6D21E25 -18.3 7.22 -9.93 -0.76 0
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146808 53753308 1 O2C21H30 A2B21C30 -93.32 2.12 -8.17 0.18 0
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146809 53753353 2 NC8H9 AB8C9 52.05 3.21 -8.77 -0.29 0
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146810 53754122 1 BrO4C14H17 AB4C14D17 -163.83 2.15 -8.91 -0.36 0
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146811 53754123 1 NPO6C27H58 ABC6D27E58 -419.14 7.07 -8.93 0.71 0
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146812 53754124 1 O4N5C20H27 A4B5C20D27 -132.63 5.04 -8.48 -1.05 0
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146813 53754125 1 ClNO2C18H22 ABC2D18E22 -60.3 5.36 -8.83 -0.11 1
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146814 53754126 1 FN2O5H26C28 AB2C5D26E28 -129.51 8.98 0.0 0.0 0
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146815 53754127 1 BrON4C15H23 ABC4D15E23 -27.39 5.88 -8.54 -0.18 0
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146816 53754128 1 SO7C10H14 AB7C10D14 -267.82 4.17 -10.66 -0.55 0
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146817 53754129 1 NOC8H17 ABC8D17 -19.62 2.37 -9.13 -0.48 0
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146818 53754145 1 O4Cl5H15C19 A4B5C15D19 -142.2 0.93 -9.17 -1.0 0
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146819 53755049 2 NOC13H16 ABC13D16 -22.22 0.81 -8.39 -0.82 0
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146820 53755409 1 NOCl3C8H10 ABC3D8E10 -39.14 3.29 -9.99 -0.28 0
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146821 53755410 1 N3O3H21C23 A3B3C21D23 -52.16 3.33 -9.1 -1.25 0
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146822 53755411 1 SN5O6C19H19 AB5C6D19E19 -83.51 8.44 -9.25 -1.56 0
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146823 53755649 1 SCl2O3N6C24H34 AB2C3D6E24F34 -32.71 11.06 -8.93 -2.09 0
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146824 53755650 1 SCl2O3N5C26H37 AB2C3D5E26F37 -40.62 8.9 -9.14 -2.23 0
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146825 53755651 1 SCl2O4N6C33H44 AB2C4D6E33F44 -52.57 10.25 -8.37 -2.1 0
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146826 53755652 1 SCl2O4N6C34H46 AB2C4D6E34F46 -48.65 10.51 -8.45 -2.2 0
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146827 53755653 1 ClSF2O4N5C21H26 ABC2D4E5F21G26 -221.06 1.85 -8.68 -1.13 0
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146828 53755654 1 ON6H30C44 AB6C30D44 233.1 9.17 -8.4 -0.75 0
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146829 53755655 1 FNC12H20 ABC12D20 -101.36 3.27 -9.41 3.12 0
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146830 53755656 3 NOC4H7 ABC4D7 -111.86 0.16 -9.33 -0.85 0
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146831 53755780 1 ClSN3H10C13 ABC3D10E13 89.71 4.51 -9.14 -1.52 0
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146832 53755924 1 O3H16C17 A3B16C17 -57.87 3.1 -9.3 -0.86 0
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146833 53756167 1 BrO2C16H17 AB2C16D17 -39.84 3.16 -8.79 -0.22 0
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146834 53756325 1 NOC22H23 ABC22D23 40.22 3.01 -8.37 -0.43 0
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146835 53756753 1 SN2O3H22C24 AB2C3D22E24 -24.65 5.19 -9.26 -0.95 0
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146836 53757154 2 ClO2C9H9 AB2C9D9 -158.6 2.54 -9.32 -0.84 0
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146837 53757155 1 O2S2N7C29H29 A2B2C7D29E29 95.63 6.47 -8.25 -1.0 0
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146838 53757156 1 N3O5H27C32 A3B5C27D32 -111.73 2.71 -8.86 -0.73 0
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146839 53757186 1 NSO2C20H29 ABC2D20E29 -95.31 1.1 -8.54 -0.04 2
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146840 53757492 2 PO2C13H15 AB2C13D15 -118.54 17.82 -7.14 -2.62 0
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146841 53757531 1 NOC29H33 ABC29D33 -5.1 2.06 -8.5 -0.17 0
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146842 53757681 1 N3O3C18H19 A3B3C18D19 -25.85 6.35 -9.0 -1.14 0
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146843 53757764 1 O3C18H26 A3B18C26 -133.72 1.47 -8.89 0.12 0
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146844 53758150 1 O3C22H40 A3B22C40 -190.62 2.36 -9.46 1.34 0
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146845 53758386 1 ON3C14H29 AB3C14D29 -50.84 2.36 -8.37 2.06 0
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146846 53758387 1 O2N3C18H27 A2B3C18D27 -64.98 2.08 -8.53 -0.54 0
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146847 53758799 1 ClP2O6C13H19 AB2C6D13E19 -354.72 6.8 -9.56 -0.29 0
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146848 53759560 1 NO5C21H21 AB5C21D21 -153.29 3.25 -8.83 -0.36 0
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146849 53759561 1 ClSN2O2C23H27 ABC2D2E23F27 -22.32 4.6 -8.54 -0.75 0
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146850 53759860 4 O3C10H12 A3B10C12 -331.03 4.16 -8.84 -0.63 0
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146851 53759861 1 ON3C18H25 AB3C18D25 -25.55 4.59 -8.55 -0.16 0
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146852 53759862 1 O4N6C15H20 A4B6C15D20 -120.72 6.15 -9.44 -0.83 0
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146853 53760404 1 Cl5C8H13 A5B8C13 -70.13 2.38 -11.09 -0.82 0
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146854 53760971 1 ON4C16H16 AB4C16D16 55.52 4.9 -8.31 -0.14 0
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146855 53761463 1 ON2C30H48 AB2C30D48 -69.02 2.14 -8.64 -0.57 0
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146856 53761827 1 OC37H60 AB37C60 -111.13 1.95 -8.39 0.15 0
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146857 53762217 1 N9O10C40H55 A9B10C40D55 -434.37 3.48 -8.51 -0.25 0
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146858 53762218 1 SO3N4C20H24 AB3C4D20E24 -60.54 5.29 -8.44 -0.74 0
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146859 53762219 1 N3O5C21H29 A3B5C21D29 -200.8 7.47 -9.11 -1.33 0
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146860 53762887 1 NO2H11C12 AB2C11D12 -44.54 4.24 -9.96 -0.81 0
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146861 53762992 3 OSiF3C4H6 ABC3D4E6 -761.52 4.58 0.0 0.0 0
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146862 53763260 2 NO2F3H10C11 AB2C3D10E11 -452.64 3.3 -9.45 -1.53 0
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146863 53763358 1 ClN2O3C23H31 AB2C3D23E31 -145.58 5.19 -8.46 -0.35 0
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146864 53763359 1 FSO3C22H27 ABC3D22E27 -156.4 1.73 -8.84 -0.6 0
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146865 53763360 1 PS2O7C11H21 AB2C7D11E21 -394.03 1.46 -9.28 -0.89 0
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146866 53763361 1 ON2C18H20 AB2C18D20 74.51 3.74 -8.9 -0.57 0
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146867 53763650 1 C17H30 A17B30 -37.3 0.56 -9.28 0.48 0
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146868 53763782 1 O3C20H34 A3B20C34 -155.74 3.49 -9.42 0.45 0