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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170877 75291288 1 ON7C23H23 AB7C23D23 103.49 5.38 -8.56 -1.22 0
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170878 75291834 1 BO2C14H21 AB2C14D21 -159.68 3.55 -9.24 0.41 0
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170879 75291835 1 BO2C17H27 AB2C17D27 -174.31 3.32 -9.23 0.42 0
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170880 75291836 1 BO3C15H19 AB3C15D19 -165.81 3.8 -9.54 -0.44 0
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170881 75292143 1 BrNO2H24C26 ABC2D24E26 1.15 4.83 -9.08 -0.67 0
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170882 75292144 1 ClNO2H18C19 ABC2D18E19 -35.32 3.97 -9.21 -0.74 0
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170883 75292145 1 ClNO2H24C26 ABC2D24E26 -9.54 2.65 -8.93 -0.6 0
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170884 75292155 1 NSO4C13H15 ABC4D13E15 -100.17 5.23 -9.38 -0.75 0
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170885 75292399 1 NO4C11H17 AB4C11D17 -180.97 6.38 -10.53 0.05 0
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170886 75292943 2 N2O2C11H11 A2B2C11D11 -90.65 2.05 -8.77 -0.68 0
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170887 75294573 1 SN4O5C19H22 AB4C5D19E22 -150.99 2.99 -8.7 -0.43 0
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170888 75294574 1 O2N6C21H26 A2B6C21D26 2.04 3.78 -8.32 -0.09 0
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170889 75294808 1 FO3N4C18H23 AB3C4D18E23 -94.7 2.6 -9.33 -0.6 0
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170890 75294964 1 IO2C13H23 AB2C13D23 -118.5 3.08 -9.52 -0.82 0
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170891 75295334 1 BrN2O2H17C26 AB2C2D17E26 77.73 3.73 -9.24 -0.97 0
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170892 75295454 1 ISiO2C12H17 ABC2D12E17 -23.68 2.8 -9.7 -1.07 0
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170893 75295458 1 ClNO3C14H14 ABC3D14E14 -110.88 3.81 -9.27 -0.58 0
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170894 75295478 1 NO3C17H19 AB3C17D19 -107.35 4.35 -9.13 -0.25 0
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170895 75296109 1 PO4N7C13H22 AB4C7D13E22 -158.36 6.94 -8.62 -0.25 0
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170896 75296127 1 Cl2N7O18C69H87 A2B7C18D69E87 -744.14 15.62 -9.5 -0.55 0
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170897 75296128 1 Cl2N7O18C69H95 A2B7C18D69E95 -790.88 6.56 -9.35 -0.5 0
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170898 75296129 1 ClN5O6C26H28 AB5C6D26E28 -169.83 11.21 -9.54 -1.93 0
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170899 75296130 1 N5O6C26H27 A5B6C26D27 -131.72 7.55 -9.34 -1.77 0
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170900 75296131 1 ClON2C10H21 ABC2D10E21 -94.21 1.65 -9.27 0.93 0
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170901 75296132 1 Cl2N2O3C23H38 A2B2C3D23E38 -221.2 6.06 -8.96 0.43 0
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170902 75296165 1 PN3O8C11H26 AB3C8D11E26 -426.17 4.82 -10.05 -0.25 0
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170903 75296767 1 FN3O4C23H28 AB3C4D23E28 -67.66 4.99 -9.56 -0.7 0
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170904 75297009 1 N4O7C30H30 A4B7C30D30 -167.83 3.35 -8.82 -0.62 1
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170905 75297614 1 SO3N7C21H30 AB3C7D21E30 -76.71 3.8 0.0 0.0 0
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170906 75297906 1 N2O4C15H20 A2B4C15D20 -96.83 7.46 -9.67 -1.27 0
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170907 75299092 1 SN6O8C40H50 AB6C8D40E50 -261.81 4.76 -8.95 -1.01 0
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170908 75299093 1 SN6O9C40H50 AB6C9D40E50 -300.45 9.79 -9.26 -1.05 0
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170909 75299414 1 N3O3C29H41 A3B3C29D41 -59.45 4.86 -8.42 -0.02 0
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170910 75299415 1 Cl3O3N4H19C28 A3B3C4D19E28 7.94 5.21 -8.86 -1.16 0
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170911 75300185 1 PN3O8C24H28 AB3C8D24E28 -349.9 3.75 -8.89 -0.61 0
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170912 75300186 1 SF2N3O7C31H35 AB2C3D7E31F35 -330.28 6.93 -9.5 -0.84 0
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170913 75300326 1 BrO4C9H11 AB4C9D11 -139.37 1.49 -9.43 -0.6 0
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170914 75300427 1 O3C7H12 A3B7C12 -97.91 2.15 -10.44 0.95 0
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170915 75300785 1 SN8C22H28 AB8C22D28 121.63 6.26 -8.91 -0.42 0
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170916 75301039 1 O4C15H22 A4B15C22 -207.34 4.1 -9.92 0.58 0
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170917 75301112 1 NO5C25H29 AB5C25D29 -155.6 4.74 -9.45 -0.02 0
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170918 75301115 1 O12C25H28 A12B25C28 -485.09 1.92 -9.34 -0.42 0
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170919 75301116 1 O7C18H30 A7B18C30 -283.75 5.97 -9.15 0.47 0
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170920 75301117 1 O7C13H26 A7B13C26 -286.13 6.72 -9.77 1.24 0
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170921 75301288 2 O2C11H13 A2B11C13 -129.43 6.34 -9.24 -0.36 0
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170922 75301386 1 O3C27H34 A3B27C34 -105.05 6.02 -8.75 0.02 0
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170923 75302069 5 OC3H4 AB3C4 -189.85 5.57 -9.16 -0.34 0
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170924 75302438 1 N4C17H30 A4B17C30 50.81 4.68 -8.01 1.29 0
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170925 75302517 2 NOC14H20 ABC14D20 -78.32 3.51 -9.07 -0.72 0
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170926 75302518 1 Cl2S2N5O11C34H43 A2B2C5D11E34F43 -429.03 8.01 -8.47 -1.12 0