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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396577 135028794 1 BrNO2H18C20 ABC2D18E20 -25.63 3.92 -8.64 -0.74 0
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396578 135028795 1 OSN4C30H36 ABC4D30E36 35.14 4.78 -8.27 -0.59 0
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396579 135028796 1 N2F3O4C25H25 A2B3C4D25E25 -285.59 5.64 -8.66 -0.64 0
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396580 135028797 1 N2O5C26H30 A2B5C26D30 -156.96 2.42 -8.33 -0.43 0
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396581 135028798 1 NO2C11H17 AB2C11D17 -65.51 1.36 -9.17 0.79 0
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396582 135028799 1 NO3C17H23 AB3C17D23 -138.56 3.07 -9.06 -0.69 0
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396583 135028800 1 O5H14C16 A5B14C16 -131.51 2.1 -9.81 -0.98 0
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396584 135028801 1 NO3H19C24 AB3C19D24 -9.43 6.34 -8.79 -0.78 0
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396585 135028802 1 NO2H13C17 AB2C13D17 -2.4 4.2 -8.76 -0.88 0
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396586 135028803 1 ON4C12H16 AB4C12D16 10.43 3.88 -9.02 -0.38 0
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396587 135028804 1 O3H16C19 A3B16C19 -9.4 2.91 -9.52 -0.96 0
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396588 135028806 1 NO4H13C20 AB4C13D20 -36.09 7.2 -9.74 -1.65 0
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396589 135028807 1 FON2H9C15 ABC2D9E15 -16.63 1.38 -9.19 -1.24 0
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396590 135028808 1 FON2H11C16 ABC2D11E16 -27.74 1.72 -9.16 -1.18 0
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396591 135028809 1 OF2N2H10C15 AB2C2D10E15 -72.64 6.91 -9.61 -1.06 0
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396592 135028810 1 BrNO4H8C15 ABC4D8E15 4.36 7.24 -9.79 -1.78 0
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396593 135028812 1 N2O6C21H28 A2B6C21D28 -246.72 2.96 -9.66 -0.07 0
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396594 135028813 1 NOC19H19 ABC19D19 15.24 6.59 -8.64 -0.38 0
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396595 135028814 1 SeC14H14 AB14C14 31.33 1.76 -8.4 -0.08 1
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396596 135028815 1 AgNH19C21 ABC19D21 14.26 19.93 0.0 0.0 0
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396597 135028816 1 NH19C21 AB19C21 87.7 1.93 -8.91 -0.56 0
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396598 135028818 1 NF3O3C15H16 AB3C3D15E16 -259.29 4.86 -9.15 -0.31 0
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396599 135028819 1 SO6C24H28 AB6C24D28 -208.99 0.59 -8.93 -0.02 0
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396600 135028820 2 NOC5H6 ABC5D6 -31.14 2.24 -10.08 -0.73 0
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396601 135028821 1 NO2C23H31 AB2C23D31 -55.82 3.23 -8.18 0.1 0
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396602 135028826 1 SN2O3H18C19 AB2C3D18E19 -58.1 8.44 -8.79 -0.67 0
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396603 135028827 1 SN2O4H22C24 AB2C4D22E24 -94.6 6.63 -8.28 -0.85 0
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396604 135028829 1 NO3C18H21 AB3C18D21 -117.98 4.22 -9.68 -0.56 0
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396607 135028837 1 ON3C10H13 AB3C10D13 69.37 3.17 -9.45 -0.27 1
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396608 135028840 1 SN2O7C25H31 AB2C7D25E31 -146.83 7.2 0.0 0.0 0
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396609 135028841 1 SN2O7C25H32 AB2C7D25E32 -188.13 7.49 -9.72 -1.9 0
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396610 135028846 1 O3C17H26 A3B17C26 -155.83 2.61 -9.58 0.37 0
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396611 135028847 1 NO3C20H25 AB3C20D25 -109.76 1.56 -8.0 0.16 1
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396612 135028850 1 N5O5C9H18 A5B5C9D18 -196.88 6.92 0.0 0.0 0
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396613 135028851 1 N5O5C9H17 A5B5C9D17 -212.0 2.09 -9.25 0.01 0
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396614 135028855 1 ClNO2H12C17 ABC2D12E17 -3.86 6.92 -9.0 -0.95 0
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396615 135028856 1 FNO3H14C18 ABC3D14E18 -82.18 7.64 -8.5 -0.9 0
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396616 135028862 1 SO2H14C20 AB2C14D20 7.08 3.89 -8.97 -1.19 0
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396617 135028873 1 N2O5C20H28 A2B5C20D28 -210.11 2.75 -9.68 -0.07 0
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396618 135028886 1 NOC28H29 ABC28D29 15.46 1.65 -8.31 0.05 0
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396619 135028887 1 N2O5C31H36 A2B5C31D36 -122.72 4.94 -8.18 -0.12 0
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396620 135028891 1 N2O3C21H26 A2B3C21D26 -33.57 3.55 -8.58 -0.76 0
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396622 135028900 1 NO5C19H19 AB5C19D19 -70.48 6.76 -9.93 -1.53 0
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396623 135028902 1 ClNO5C19H20 ABC5D19E20 -123.09 7.17 -10.01 -1.56 0
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396624 135028904 2 OPN2H12C14 ABC2D12E14 3.68 8.5 -8.65 -0.46 0
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396625 135028909 1 BrH13C24 AB13C24 164.03 1.5 -8.07 -2.41 0
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396626 135028912 1 O5H34C40 A5B34C40 -48.91 6.96 -8.55 -0.59 0
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396627 135028924 1 NSO3H13C16 ABC3D13E16 -27.55 6.83 -8.44 -0.85 1
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396628 135028940 1 NOSiC20H26 ABCD20E26 -36.88 1.53 0.0 0.0 0
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396629 135028942 1 SN2O3C29H32 AB2C3D29E32 -2.95 5.4 -8.88 -0.22 0