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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20744 585466 2 NOC5H5 ABC5D5 -13.22 3.81 -9.01 -0.72 0
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20745 585483 1 NOC16H27 ABC16D27 -98.65 3.77 -9.54 1.32 0
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20746 585486 1 NOC15H25 ABC15D25 -93.01 3.67 -9.59 1.3 0
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20747 585495 1 S2N3O5H7C12 A2B3C5D7E12 -14.17 11.12 -9.86 -2.53 0
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20748 585496 1 O3C20H24 A3B20C24 -99.81 3.39 -8.6 -0.17 0
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20749 585503 1 O2N4H8C9 A2B4C8D9 33.35 2.12 -8.85 -0.48 0
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20750 585504 1 F6H6C7 A6B6C7 -284.63 4.65 -11.19 -0.67 0
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20751 585522 1 O2Cl3C8H11 A2B3C8D11 -117.44 3.75 -10.82 -0.6 0
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20752 585524 1 NO4C10H11 AB4C10D11 -144.1 6.31 -9.48 -0.88 0
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20753 585530 1 S2C11H16 A2B11C16 0.82 3.52 -8.8 -1.11 0
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20754 585532 2 NOC7H7 ABC7D7 -27.37 3.02 -9.14 -0.41 0
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20755 585537 1 OF3C11H13 AB3C11D13 -202.09 3.03 -9.12 0.11 0
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20756 585538 2 OC10H16 AB10C16 -113.67 3.69 -9.52 0.74 0
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20757 585549 1 O3C13H18 A3B13C18 -134.66 4.8 -8.89 0.48 0
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20758 585552 1 NOC15H19 ABC15D19 -10.67 1.31 -9.17 -0.14 0
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20759 585554 1 O2C15H18 A2B15C18 -28.15 1.81 -8.8 0.22 0
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20760 585560 1 NO2C14H19 AB2C14D19 -53.36 6.18 -8.35 0.0 0
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20761 585565 1 O4C15H20 A4B15C20 -160.17 4.44 -10.17 -0.37 0
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20762 585566 1 ClN2O2H9C11 AB2C2D9E11 -20.79 2.41 -9.52 -1.03 0
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20763 585576 1 SO3H14C16 AB3C14D16 -68.77 3.95 -8.84 -0.98 0
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20764 585578 1 ClON3H20C22 ABC3D20E22 36.18 2.49 -8.22 -0.58 0
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20765 585580 1 SiO2C16H26 AB2C16D26 -120.96 1.79 -9.34 0.16 0
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20766 585585 1 N2O3C26H26 A2B3C26D26 -47.01 4.53 -9.23 -0.3 0
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20767 585597 1 NOC17H21 ABC17D21 -48.63 3.86 -8.74 0.19 0
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20768 585609 1 NO4C18H29 AB4C18D29 -228.71 4.06 -9.86 0.69 0
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20769 585610 1 SN4C13H20 AB4C13D20 48.23 5.78 -8.79 -0.57 0
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20770 585615 1 PO2N3C20H28 AB2C3D20E28 -105.51 4.47 -8.81 0.01 0
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20771 585617 1 OPN3C16H26 ABC3D16E26 -69.98 3.92 -8.87 0.43 0
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20772 585619 1 NSO4C21H31 ABC4D21E31 -181.93 6.32 -8.86 -0.36 0
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20773 585620 1 NO3H15C16 AB3C15D16 -61.24 5.33 -8.28 -1.05 0
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20774 585633 1 O3N4C23H34 A3B4C23D34 -71.57 7.41 -7.99 -0.98 0
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20775 585640 2 SiC9H13 AB9C13 -22.99 1.29 -8.67 0.38 0
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20776 585642 1 NSO3H11C15 ABC3D11E15 -41.32 5.49 -9.12 -1.19 0
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20777 585647 1 ClC22H25 AB22C25 43.03 2.62 -9.37 0.36 0
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20778 585656 1 O4C25H34 A4B25C34 -184.06 7.39 -9.76 -0.36 0
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20779 585658 1 ON2C19H26 AB2C19D26 -49.86 4.71 -8.11 0.37 0
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20780 585659 1 O3N4C16H18 A3B4C16D18 7.24 2.8 -8.53 -0.75 0
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20781 585660 2 NO2H7C8 AB2C7D8 -72.12 2.12 -9.5 -1.76 0
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20782 585668 1 OSN2C18H20 ABC2D18E20 -10.88 7.64 -9.27 -0.78 0
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20783 585670 1 SN4C17H22 AB4C17D22 56.62 5.34 -9.09 -0.66 0
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20784 585672 1 O3C31H46 A3B31C46 -184.38 5.67 -8.85 0.11 0
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20785 585674 1 BrO2H13C16 AB2C13D16 -9.38 3.6 -9.28 -0.67 0
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20786 585676 1 BrSN2H9C14 ABC2D9E14 105.49 3.81 -9.34 -1.68 0
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20787 585679 1 N2O3H16C19 A2B3C16D19 -12.69 4.72 -8.53 -0.99 0
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20788 585680 1 FN4O4H13C14 AB4C4D13E14 -99.39 2.12 -9.86 -1.94 0
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20789 585681 1 O2N3C19H19 A2B3C19D19 -5.9 7.41 -8.7 -1.03 0
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20790 585694 1 OSN2H28C30 ABC2D28E30 27.89 4.45 -8.17 -1.14 0
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20791 585696 1 O3C32H52 A3B32C52 -215.77 5.8 -9.47 0.15 0
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20792 585702 1 S2N3O3H11C15 A2B3C3D11E15 -5.13 7.47 -9.46 -1.22 0
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20793 585704 1 FO3N4C17H19 AB3C4D17E19 -44.76 8.0 -8.67 -1.06 0
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20794 585705 1 N3O3H17C20 A3B3C17D20 -0.98 4.76 -8.79 -1.3 0
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20795 585733 2 ON2C15H16 AB2C15D16 44.25 4.03 -8.23 -0.64 0
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20796 585736 1 ClNSO4C8H8 ABCD4E8F8 -67.66 3.33 -10.71 -1.64 0
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20797 585740 1 SnN2O2C32H52 AB2C2D32E52 -86.9 3.67 -8.58 -0.6 0
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20798 585755 1 NO6C16H23 AB6C16D23 -177.78 6.74 -9.17 -1.3 0
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20799 585778 1 ClNSH6C7 ABCD6E7 38.69 1.87 -9.09 -0.66 0
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20800 585779 2 O3C8H12 A3B8C12 -214.71 1.68 -8.45 0.16 0
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20801 585781 1 OH4N4C5 AB4C4D5 55.34 2.27 -10.28 -1.5 0
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20802 585785 2 C2H2N3 A2B2C3 144.45 0.0 -11.01 -1.8 0
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20803 585790 2 OC14H22 AB14C22 -122.74 0.63 -8.56 0.36 0
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20804 585792 1 NOCl2C6H13 ABC2D6E13 -50.68 2.01 -9.53 0.79 0
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20805 585796 1 ClN3O4H6C8 AB3C4D6E8 -30.37 3.65 -9.63 -1.95 0
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20806 585802 1 SN2O2H10C13 AB2C2D10E13 70.1 6.36 -8.41 -1.41 0
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20807 585803 1 NC11H19 AB11C19 29.85 0.63 -8.77 1.72 0
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20808 585808 1 OS3C6H12 AB3C6D12 -27.68 5.6 -8.33 0.2 0
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20809 585811 1 NO3C17H19 AB3C17D19 -88.31 4.85 -8.5 -0.02 0
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20810 585839 1 NO2C9H11 AB2C9D11 -0.95 5.77 -10.18 -1.3 0
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20811 585842 2 NO6C18H23 AB6C18D23 -513.81 6.16 -8.92 -1.09 0
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20812 585843 2 OC9H10 AB9C10 -66.35 1.63 -9.0 0.14 0
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20813 585846 1 ON2C26H29 AB2C26D29 32.68 2.53 0.0 0.0 1
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20814 585860 1 OC9H12 AB9C12 -11.29 1.94 -9.93 0.6 0
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20815 585862 1 FNOSH10C14 ABCDE10F14 -3.7 4.4 -8.99 -0.87 0
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20816 585868 1 FNO3H12C13 ABC3D12E13 -144.25 1.44 -9.32 -0.68 0
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20817 585876 2 OC4H4 AB4C4 -55.03 3.54 -9.21 -0.81 0
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20818 585887 1 FN2H5C7 AB2C5D7 15.65 3.17 -9.33 -0.57 0
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20819 585893 1 O3C27H44 A3B27C44 -179.06 2.44 -8.69 0.3 0
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20820 585936 1 ON2C15H18 AB2C15D18 -10.46 2.02 -9.28 -0.21 0
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20821 585938 1 N2O2C13H16 A2B2C13D16 -43.02 2.6 -9.27 -0.39 0
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20822 585942 2 NO3C10H11 AB3C10D11 -217.83 7.49 -8.75 -0.31 0
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20823 585943 1 NSO2C11H15 ABC2D11E15 -75.63 2.43 -8.97 -0.39 0
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20824 585946 1 ClN2O3C19H19 AB2C3D19E19 -89.01 1.6 -8.44 -0.52 0
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20825 585973 1 ClSN3O3H22C25 ABC3D3E22F25 7.72 15.88 -7.71 -1.83 0
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20826 585979 1 NC9H15 AB9C15 55.41 1.83 -8.32 0.38 0
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20827 585984 1 N2O3C20H24 A2B3C20D24 -73.61 4.86 -8.94 -0.79 0
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20828 585988 1 NOC14H23 ABC14D23 -59.32 3.18 -8.22 0.78 0
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20829 585993 1 NO5H15C16 AB5C15D16 -63.95 3.72 -8.92 -1.67 0
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20830 585996 1 PN2S2O4C5H11 AB2C2D4E5F11 -231.38 4.55 -9.33 -0.75 0
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20831 585998 1 O7H18C20 A7B18C20 -204.82 2.21 -8.49 -0.22 0
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20832 586013 1 NOC9H13 ABC9D13 -33.41 2.16 -8.3 0.37 0
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20833 586017 1 NO3C9H11 AB3C9D11 -110.08 6.13 -9.48 -0.38 0
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20834 586024 1 O2C15H26 A2B15C26 -138.7 1.74 -8.79 0.9 0
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20835 586041 1 ClNO5H14C16 ABC5D14E16 -71.65 5.66 -9.06 -1.47 0
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20836 586043 1 OSC10H10 ABC10D10 -18.85 1.64 -8.82 -0.75 0
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20837 586045 1 ON2C10H14 AB2C10D14 -43.87 5.18 -9.02 0.07 0
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20838 586053 1 NO2C11H17 AB2C11D17 -45.02 2.84 -9.39 -0.09 0
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20839 586054 1 O3N4C7H8 A3B4C7D8 42.2 2.83 -9.74 -1.55 0
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20840 586055 2 OSN2C3H3 ABC2D3E3 25.93 5.45 -9.18 -2.08 0
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20841 586070 1 O3N8C13H16 A3B8C13D16 -2.59 3.08 -9.36 -0.83 0
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20842 586078 1 NOC17H21 ABC17D21 4.44 3.3 -8.86 0.31 0
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20843 586086 1 O5C15H24 A5B15C24 -253.67 3.27 -10.19 0.38 0