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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
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46762 10527087 1 O3C30H32 A3B30C32 -52.35 4.68 -9.49 -0.06 0
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46763 10527103 1 SiO3C27H40 AB3C27D40 -161.77 2.44 -9.17 0.03 0
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46764 10527105 1 ClN2O4C24H25 AB2C4D24E25 -99.37 4.26 -9.36 -0.54 0
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46765 10527110 2 ClSO4H5C7 ABC4D5E7 -289.24 8.92 -9.89 -2.1 0
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46766 10527117 1 SN3O6H19C21 AB3C6D19E21 -133.9 3.44 -9.23 -0.85 0
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46767 10527122 1 N3O6C23H27 A3B6C23D27 -191.17 4.11 -9.48 -0.54 0
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46768 10527123 1 O3N5H23C25 A3B5C23D25 -37.6 3.6 -8.42 -1.34 0
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46769 10527128 1 N3O5C24H31 A3B5C24D31 -194.33 9.63 -8.82 -0.26 2
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46770 10527161 1 FeOH22C29 ABC22D29 103.64 1.29 -8.36 -0.75 0
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46771 10527170 2 O4C12H13 A4B12C13 -289.89 3.31 -9.49 0.04 0
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46772 10527174 1 SN2O6C22H22 AB2C6D22E22 -189.43 10.33 -8.67 -1.36 0
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46773 10527175 1 F2O2H24C29 A2B2C24D29 -73.44 1.76 -9.31 -0.8 0
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46774 10527193 1 N2O2C29H34 A2B2C29D34 -26.89 5.03 -8.98 0.16 0
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46775 10527198 1 SiO2C29H34 AB2C29D34 -63.07 2.91 -8.9 -0.65 0
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46776 10527219 1 SnC23H48 AB23C48 -71.41 0.5 -9.41 0.98 0
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46777 10527228 1 NO5H25C27 AB5C25D27 -138.08 3.96 -9.26 -0.31 0
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46778 10527240 1 NO3C29H33 AB3C29D33 -65.42 5.28 -8.12 -0.05 0
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46779 10527254 1 SN2F3O4C20H23 AB2C3D4E20F23 -249.08 12.01 -9.17 -0.48 0
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46780 10527260 1 SN2O8C19H28 AB2C8D19E28 -316.94 5.05 -9.47 -0.47 0
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46781 10527274 1 N2O7C22H40 A2B7C22D40 -398.63 7.01 -9.77 0.64 0
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46782 10527275 1 N2O7C22H40 A2B7C22D40 -391.65 7.16 -9.91 -0.21 0
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46783 10527286 2 OC15H26 AB15C26 -188.9 2.2 -9.85 2.83 0
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46784 10527287 3 C11H16 A11B16 21.9 0.17 -8.99 0.26 0
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46785 10527314 1 NO5C27H27 AB5C27D27 -106.95 5.96 -8.85 -0.44 0
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46786 10527320 1 NSO5C24H31 ABC5D24E31 -173.23 6.8 -8.37 -0.35 0
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46787 10527343 1 BrSO2N3C20H20 ABC2D3E20F20 1.88 5.76 -9.17 -1.34 0
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46788 10527350 1 N2F3O5C21H29 A2B3C5D21E29 -399.84 7.45 -9.0 -0.67 0
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46789 10527368 1 SiN2O5C23H34 AB2C5D23E34 -268.62 6.8 -9.1 -0.28 0
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46790 10527369 1 O5C27H42 A5B27C42 -258.43 6.75 -9.52 1.04 0
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46791 10527371 1 SN4C27H34 AB4C27D34 69.23 0.7 -8.08 -0.71 0
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46792 10527372 1 SiN2O4C24H38 AB2C4D24E38 -213.01 4.34 -9.01 0.11 0
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46793 10527373 1 OSiN4C26H34 ABC4D26E34 -3.19 4.59 -9.01 0.13 0
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46794 10527389 1 NO8C23H29 AB8C23D29 -323.28 7.05 -9.88 -0.6 0
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46795 10527392 1 NPSO7C19H30 ABCD7E19F30 -324.82 3.81 -8.85 -0.85 0
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46796 10527402 1 NO5C27H29 AB5C27D29 -117.45 2.37 -8.22 0.17 0
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46797 10527405 1 NO5C27H29 AB5C27D29 -151.2 4.67 -8.28 -0.38 0
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46798 10527419 1 NO2H29C31 AB2C29D31 -0.04 2.96 -8.78 0.13 0
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46799 10527431 1 ClO5N7C18H18 AB5C7D18E18 -132.58 4.31 -9.28 -1.38 0
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46800 10527433 1 ClNO6C23H26 ABC6D23E26 -255.59 5.19 -8.49 -0.64 0
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46801 10527443 1 N2P2O7C18H30 A2B2C7D18E30 -383.39 6.52 -9.38 -0.14 0
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46802 10527444 1 BrNO3C23H30 ABC3D23E30 -103.97 2.63 -7.57 0.2 0
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46803 10527459 8 OC3H4 AB3C4 -334.79 7.81 -10.61 -0.34 0
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46804 10527463 1 N2O5C26H28 A2B5C26D28 -142.88 10.85 -8.47 -1.43 0
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46805 10527470 1 SO3N4C24H24 AB3C4D24E24 -8.33 15.06 -8.85 -0.68 0
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46806 10527472 2 NO3C12H18 AB3C12D18 -293.23 1.82 -9.63 -0.01 0
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46807 10527474 1 N2O4C27H32 A2B4C27D32 -80.16 2.5 -8.71 -0.81 0
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46808 10527475 1 SO6C24H32 AB6C24D32 -193.88 5.69 -9.18 -0.09 0
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46809 10527477 1 N2O5C25H40 A2B5C25D40 -218.85 6.02 -8.7 0.07 0
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46810 10527483 1 ClFPN2O8H15C16 ABCD2E8F15G16 -417.48 3.66 -9.6 -0.87 0
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46811 10527484 2 SiO2C12H20 AB2C12D20 -258.63 5.47 -8.52 0.31 0