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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46711 10526546 2 NO2H12C13 AB2C12D13 -100.73 3.37 -8.92 -0.21 0
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46712 10526548 2 NO2H12C13 AB2C12D13 -72.92 3.63 -8.82 -0.29 0
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46713 10526552 1 O3N4H24C25 A3B4C24D25 2.29 1.84 -8.78 -1.02 0
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46714 10526572 1 O2C29H48 A2B29C48 -157.93 2.52 -8.89 1.07 0
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46715 10526580 1 ClN2O3C24H29 AB2C3D24E29 -116.25 4.89 -8.64 -0.66 0
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46716 10526586 1 NO8C22H23 AB8C22D23 -277.38 4.61 -9.84 -0.93 0
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46717 10526598 1 N3O3C26H27 A3B3C26D27 -35.19 3.97 -8.78 -0.59 0
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46718 10526637 2 O2C14H15 A2B14C15 -50.39 2.42 -8.11 -0.14 0
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46719 10526641 1 ON6C25H30 AB6C25D30 59.33 6.21 -9.28 -1.06 0
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46720 10526645 1 ON4C27H34 AB4C27D34 0.43 4.84 -8.79 -0.22 0
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46721 10526647 1 SN2O3C24H34 AB2C3D24E34 -104.92 6.88 -8.37 -0.43 0
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46722 10526648 1 ClIN2O3H12C15 ABC2D3E12F15 -72.22 0.76 -9.11 -1.14 0
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46723 10526660 1 NS2F5O5H10C14 AB2C5D5E10F14 -369.81 4.54 -10.3 -2.04 0
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46725 10526682 1 O2N3C27H33 A2B3C27D33 -51.94 3.65 -9.24 -0.63 0
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46726 10526684 1 O4N7C19H41 A4B7C19D41 -199.87 5.77 -9.06 0.47 0
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46727 10526704 1 OCl2N3C14H21 AB2C3D14E21 -43.57 2.6 -8.37 0.21 0
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46728 10526706 1 BN2O5C23H37 AB2C5D23E37 -300.86 4.44 -8.91 0.58 0
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46729 10526724 1 SN2O4H20C24 AB2C4D20E24 -80.16 5.76 -9.11 -0.61 0
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46730 10526737 1 FN6C25H29 AB6C25D29 62.12 7.7 -8.77 -0.93 0
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46731 10526742 2 ON2C13H16 AB2C13D16 -42.86 2.54 -8.22 -0.25 0
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46732 10526750 1 O4C27H44 A4B27C44 -245.28 4.25 -9.61 0.75 0
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46733 10526781 1 F2O2N3H21C25 A2B2C3D21E25 -56.22 2.55 -8.6 -0.77 0
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46734 10526793 1 NSO6C22H27 ABC6D22E27 -230.88 3.23 -9.62 -1.0 0
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46735 10526794 1 SN3O5C21H27 AB3C5D21E27 -148.78 11.04 -7.95 -1.0 0
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46736 10526809 1 BrClSN4H14C18 ABCD4E14F18 136.86 6.63 -9.1 -1.34 0
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46737 10526812 1 ClO2N3H24C25 AB2C3D24E25 -10.49 5.56 -9.09 -1.49 0
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46738 10526813 1 ClOSN3H20C24 ABCD3E20F24 89.23 4.42 -8.56 -0.79 0
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46739 10526820 1 N6O7C18H22 A6B7C18D22 -259.49 12.02 -9.36 -0.96 0
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46740 10526825 1 N2O7C22H30 A2B7C22D30 -246.59 7.06 -9.75 -0.98 0
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46741 10526826 1 O4H22C29 A4B22C29 -61.37 3.39 -8.39 -0.86 0
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46742 10526827 2 OH9C16 AB9C16 99.02 0.97 -8.52 -1.4 0
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46743 10526872 1 N3O5C24H25 A3B5C24D25 -120.1 8.27 -9.43 -0.95 1
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46744 10526880 1 BrClNO3H10C14 ABCD3E10F14 -60.95 6.87 0.0 0.0 0
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46745 10526884 1 N3O6C22H33 A3B6C22D33 -294.16 10.17 -9.2 -0.52 0
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46746 10526896 1 NSiO3C25H45 ABC3D25E45 -215.17 3.64 -9.57 0.55 0
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46747 10526911 1 N4O5C23H24 A4B5C23D24 -114.88 1.91 -9.6 -0.74 0
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46748 10526927 1 OSN2H24C28 ABC2D24E28 92.91 6.76 -8.82 -0.36 0
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46749 10526932 1 SiN2O5C22H36 AB2C5D22E36 -244.84 3.48 -8.92 0.08 0
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46750 10526945 1 INOC21H28 ABCD21E28 -14.51 11.91 -7.2 -0.38 0
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46751 10526959 1 O3N5C24H31 A3B5C24D31 2.55 2.71 -8.26 -0.36 0
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46752 10526960 1 SN3O3C24H27 AB3C3D24E27 2.61 7.75 -8.25 -0.61 0
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46753 10526961 1 SO2N5C23H27 AB2C5D23E27 3.34 4.15 -8.31 -0.65 0
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46754 10526984 1 FO3N6C22H23 AB3C6D22E23 -81.16 3.17 -8.35 -0.94 0
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46755 10526995 1 O4H26C29 A4B26C29 -98.72 1.53 -8.79 -0.26 0
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46756 10527033 1 BrSiO3C21H31 ABC3D21E31 -163.05 3.74 -8.52 -0.32 0
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46757 10527060 1 N4O7H20C21 A4B7C20D21 -98.97 4.74 -8.97 -1.71 0
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46758 10527062 1 S3N4O6H12C15 A3B4C6D12E15 -134.88 5.21 -8.99 -2.35 0
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46759 10527063 1 O9C22H32 A9B22C32 -393.44 6.29 -8.83 0.23 0
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46760 10527064 1 O7C25H28 A7B25C28 -280.14 3.33 -9.01 -0.66 0
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46761 10527082 1 N2O3C28H28 A2B3C28D28 -15.7 2.48 -8.88 -0.8 0