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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406740 135078512 1 N7O8C9H11 A7B8C9D11 -5.96 7.18 -9.94 -1.86 0
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406741 135078513 1 KO4N5C16H22 AB4C5D16E22 -9.99 20.41 -8.68 -1.14 -1
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406742 135078514 1 O4N5C16H22 A4B5C16D22 39.51 5.42 0.0 0.0 0
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406743 135078515 1 N7O7H13C14 A7B7C13D14 63.01 9.75 -9.87 -1.7 0
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406744 135078516 1 O3C14H22 A3B14C22 -159.15 4.46 -10.04 0.16 0
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406745 135078517 1 NSO3C18H19 ABC3D18E19 -98.9 3.2 -9.14 -0.77 0
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406746 135078518 1 O3C17H20 A3B17C20 -123.66 3.73 -9.32 0.13 0
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406747 135078519 1 BrNPF6H7C9 ABCD6E7F9 -392.27 15.05 -10.64 -2.32 0
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406748 135078520 1 O2C15H16 A2B15C16 -22.68 5.45 -9.96 -0.66 0
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406749 135078521 1 SO2C15H18 AB2C15D18 -29.14 7.39 -9.24 -0.97 0
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406750 135078522 1 ON2C12H20 AB2C12D20 -34.8 8.99 -8.81 -0.24 1
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406751 135078523 1 ON2C12H21 AB2C12D21 -43.71 4.41 0.0 0.0 0
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406752 135078524 1 ON4H12C14 AB4C12D14 127.48 2.59 -9.14 -0.64 0
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406753 135078525 1 SN2O2F5C22H27 AB2C2D5E22F27 -275.72 7.73 -9.35 -1.1 0
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406756 135078528 3 SiC4H10 AB4C10 -50.59 1.53 -6.13 -0.62 0
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406757 135078529 2 NH8C9 AB8C9 100.86 3.62 -8.62 -0.19 0
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406758 135078530 1 NSO2H27C29 ABC2D27E29 52.71 6.55 -8.77 -0.57 0
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406759 135078531 1 NSO2C18H21 ABC2D18E21 -2.13 5.24 -9.22 -0.36 0
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406760 135078532 1 NSO2C31H41 ABC2D31E41 -6.21 7.26 -8.0 -0.63 0
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406761 135078533 1 NSO2C20H25 ABC2D20E25 -20.12 6.42 -8.81 -0.42 0
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406762 135078534 1 NSiO2C14H29 ABC2D14E29 -77.24 1.76 -9.07 -0.36 0
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406763 135078535 1 NSiO2C16H33 ABC2D16E33 -105.63 2.2 -8.99 -0.21 0
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406764 135078548 1 NO13C22H29 AB13C22D29 -491.99 5.33 -10.73 -0.73 0
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406765 135078552 1 ClNOSF3C12H13 ABCDE3F12G13 -171.29 4.08 -8.81 -0.56 0
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406766 135078553 1 GeO2C17H26 AB2C17D26 -92.53 3.74 -9.63 -0.48 0
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406767 135078564 1 FO3C13H17 AB3C13D17 -181.48 4.15 -9.63 -0.09 0
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406768 135078577 1 SC12H22 AB12C22 -19.18 1.33 -8.36 0.72 0
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406769 135078578 1 O3N7C10H13 A3B7C10D13 107.61 5.23 -10.08 -2.1 0
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406770 135078579 1 NPSiO4C16H36 ABCD4E16F36 -313.14 3.53 -8.79 0.91 0
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406771 135078580 1 ClNPO3C11H23 ABCD3E11F23 -214.39 1.81 -9.91 0.81 0
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406772 135078581 1 BrNO2C27H34 ABC2D27E34 -45.68 4.22 -8.7 -0.08 0
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406773 135078583 1 NO3C22H33 AB3C22D33 -152.77 3.39 -9.2 0.57 0
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406774 135078589 1 ClN7H14C21 AB7C14D21 199.43 4.73 -9.32 -1.7 0
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406775 135078592 1 O3C14H16 A3B14C16 -59.1 4.08 -9.95 -0.95 0
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406776 135078594 1 O6C17H28 A6B17C28 -314.97 0.77 -9.77 -0.1 0
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406777 135078595 1 ClN2O2C4H9 AB2C2D4E9 -124.73 4.61 -9.55 -0.11 0
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406778 135078597 1 NO2H15C16 AB2C15D16 26.75 2.26 -8.99 -0.52 0
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406779 135078599 1 N2O3C12H14 A2B3C12D14 -45.9 9.36 -8.19 -0.95 1
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406780 135078600 1 N2O3C12H15 A2B3C12D15 -59.02 3.92 0.0 0.0 0
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406781 135078601 1 ON2C7H12 AB2C7D12 -14.46 7.3 -9.08 -0.42 1
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406782 135078602 1 ON2C7H13 AB2C7D13 -24.02 3.74 0.0 0.0 0
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406783 135078603 1 O4C15H26 A4B15C26 -223.76 1.63 -10.43 -0.38 0
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406784 135078604 1 O5C17H24 A5B17C24 -149.14 2.02 -9.57 0.24 0
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406785 135078605 1 NSnO2C21H41 ABC2D21E41 -134.25 2.31 -9.35 0.92 0
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406786 135078606 1 NPO2C25H28 ABC2D25E28 -48.9 3.92 -8.69 -0.05 0
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406787 135078607 1 GeOSiC16H32 ABCD16E32 -89.7 1.71 -8.68 1.1 0
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406788 135078609 1 ClNO2C7H14 ABC2D7E14 -142.61 4.81 -9.48 -0.01 0
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406789 135078613 1 ClNO3C12H16 ABC3D12E16 -139.78 3.37 -10.28 -0.38 0
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406790 135078617 2 OC7H9 AB7C9 -85.31 2.41 -10.01 -0.52 0
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406791 135078618 1 ClO5C11H21 AB5C11D21 -263.68 3.56 -9.92 0.32 0
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406792 135078623 1 NOC12H19 ABC12D19 -48.85 4.41 -9.32 1.04 0
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406793 135078625 1 AlOC6H11 ABC6D11 -12.55 1.51 -9.59 1.17 0
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406794 135078628 1 SiO5C15H28 AB5C15D28 -256.27 2.74 -9.42 0.61 0
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406795 135078634 1 BrNSO10C16H22 ABCD10E16F22 -399.64 3.59 -10.06 -1.3 1
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406796 135078664 1 ON2C7H13 AB2C7D13 -23.35 3.61 0.0 0.0 0
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406797 135078665 2 OSiC13H26 ABC13D26 -236.54 0.89 -9.07 1.14 0
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406798 135078666 1 SO2F3N3H10C12 AB2C3D3E10F12 -170.61 5.02 -9.11 -1.19 0
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406799 135078667 1 SF3N3O3H10C13 AB3C3D3E10F13 -212.82 3.67 -9.36 -1.49 0
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406800 135078668 1 SN6C12H14 AB6C12D14 101.17 1.92 -8.73 -0.93 0
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406801 135078669 1 ClN2C19H19 AB2C19D19 53.67 8.34 -8.7 -0.39 0
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406802 135078670 1 NSH13C16 ABC13D16 84.2 2.87 -8.43 -1.04 0
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406803 135078671 1 N2F3H11C12 A2B3C11D12 -106.15 7.74 -9.5 -0.67 0
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406804 135078672 1 FNOH18C19 ABCD18E19 -11.54 1.65 -9.07 -0.34 0
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406805 135078673 1 FNOH18C19 ABCD18E19 -7.69 0.96 -8.77 -0.33 0
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406806 135078674 1 SiO4C19H22 AB4C19D22 -124.38 3.41 -8.62 -0.66 0
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406807 135078675 1 O3C14H24 A3B14C24 -137.81 3.64 -10.03 -0.07 0
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406808 135078676 1 NOSiC19H27 ABCD19E27 -55.71 2.24 -8.71 -0.55 0
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406809 135078677 1 NOSiC15H31 ABCD15E31 -123.14 2.48 -8.77 0.95 0
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406810 135078678 1 NO5C21H23 AB5C21D23 -138.39 2.51 -8.42 -0.78 0
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406811 135078679 1 NO5C21H23 AB5C21D23 -141.8 2.09 -8.44 -0.78 0
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406812 135078680 1 NO5C21H23 AB5C21D23 -142.07 2.27 -8.44 -0.79 0
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406813 135078681 1 ClNO2C18H20 ABC2D18E20 -59.39 4.86 -8.91 -0.05 1
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406814 135078682 1 NO2C16H18 AB2C16D18 -32.7 1.59 0.0 0.0 0
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406815 135078683 1 ClSiH3C4 ABC3D4 49.39 1.64 -10.95 -0.6 0
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406816 135078684 1 NO3C18H27 AB3C18D27 -129.69 2.69 -9.45 -0.3 0
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406817 135078689 1 NSO2C21H25 ABC2D21E25 -61.67 2.77 -8.83 -0.38 0
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406818 135078692 1 LiOC5H9 ABC5D9 -55.91 5.58 -8.95 1.74 0
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406820 135078721 1 SiO6C32H54 AB6C32D54 -343.56 2.53 -8.66 0.31 0
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406821 135078722 1 NOF4H11C18 ABC4D11E18 -157.62 2.97 -9.15 -1.28 0
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406822 135078723 1 BClC14H18 ABC14D18 -20.95 2.27 -9.42 -0.53 0
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406823 135078724 1 NSH13C18 ABC13D18 86.32 1.71 -8.52 -0.95 0
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406824 135078725 1 FO3H9C14 AB3C9D14 -40.81 3.9 -9.21 -0.76 0
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406825 135078726 1 NSO2C14H19 ABC2D14E19 -66.66 4.11 -9.77 -0.32 0
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406826 135078727 1 ClSN2O2H11C13 ABC2D2E11F13 -9.98 4.8 -9.76 -0.99 0
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406827 135078729 1 O2C9H18 A2B9C18 -123.66 2.61 -9.84 0.86 0
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406829 135078733 1 NO2C15H21 AB2C15D21 -54.89 2.97 -9.08 0.36 0
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406830 135078734 1 BSiO3C47H55 ABC3D47E55 -122.56 2.74 -8.63 -0.09 0
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406831 135078735 1 BSiO3F4C41H45 ABC3D4E41F45 -322.16 1.12 -8.75 -0.49 0
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406832 135078736 1 BSiO3F4C49H49 ABC3D4E49F49 -292.42 1.25 -8.84 -0.58 0
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406833 135078738 1 OSiC16H26 ABC16D26 -94.34 1.39 -8.83 0.61 0
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406834 135078739 1 SiN3O4C39H43 AB3C4D39E43 -106.47 2.1 -9.01 -0.92 0
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406835 135078740 1 ClO3C24H25 AB3C24D25 -43.39 2.67 -8.99 -0.27 0
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406836 135078741 1 NSO2C18H27 ABC2D18E27 -62.19 5.99 -9.29 -0.4 0
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406837 135078742 1 ClOSN2H9C10 ABCD2E9F10 16.19 2.32 -8.65 -1.22 0
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406838 135078744 1 SO2N3C16H21 AB2C3D16E21 -14.17 10.52 -10.35 -0.76 0
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406839 135078745 1 GeF20H26C39 AB20C26D39 -920.37 3.9 -8.85 -0.69 0
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406840 135078748 1 GeOC31H32 ABC31D32 51.2 1.73 -9.02 0.27 0
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406841 135078749 1 GeISi4C20H43 ABC4D20E43 7.52 1.32 -5.68 -1.51 0
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406843 135078764 1 NSSiO6C15H31 ABCD6E15F31 -331.78 1.38 -8.82 -0.46 0
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406844 135078771 1 IO2C20H27 AB2C20D27 -27.41 1.03 -8.58 -0.82 0