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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381779 134972608 1 CrNOC5H7 ABCD5E7 142.41 5.53 -7.23 0.57 0
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381780 134972609 1 CrO8H18C21 AB8C18D21 -193.57 6.85 -7.69 -0.14 0
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381781 134972610 1 CrO3C16H18 AB3C16D18 -66.26 6.92 -7.06 -0.21 0
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381782 134972611 1 O4C17H18 A4B17C18 -117.88 3.81 -8.61 -0.26 0
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381783 134972612 1 ClOC12H17 ABC12D17 -66.18 2.84 -9.47 0.02 0
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381784 134972613 1 O3C20H32 A3B20C32 -166.76 5.14 -9.63 0.82 0
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381785 134972614 1 O3C17H26 A3B17C26 -148.62 3.24 -9.46 0.5 0
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381786 134972615 2 NC6H8 AB6C8 54.63 0.96 -7.86 0.48 0
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381787 134972616 1 NO2Cl3C11H12 AB2C3D11E12 -106.45 2.74 -8.86 -0.56 0
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381788 134972617 1 SeO2C6H10 AB2C6D10 -79.77 1.22 -8.58 -0.29 0
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381789 134972618 1 NOH23C51 ABC23D51 418.72 6.2 -8.27 -2.0 0
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381790 134972619 4 O2C6H9 A2B6C9 -344.84 2.48 -9.95 0.41 -1
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381791 134972620 1 CRhP2H9 ABC2D9 -16.78 4.35 -10.26 -3.32 0
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381792 134972621 1 NSO3C11H11 ABC3D11E11 -100.48 6.29 -8.95 -0.55 0
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381793 134972622 2 NSO3H10C11 ABC3D10E11 -182.09 9.28 -8.92 -1.75 0
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381794 134972624 4 OC4H4 AB4C4 -129.61 3.46 -9.07 -0.45 0
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381795 134972625 1 ClO3C17H23 AB3C17D23 -164.55 4.5 -8.86 -0.19 0
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381796 134972626 1 O3C16H18 A3B16C18 -103.35 9.84 -8.99 -1.16 0
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381797 134972627 1 NC21H21 AB21C21 41.07 2.63 -9.02 -0.46 0
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381798 134972628 1 SCl2N4H14C16 AB2C4D14E16 81.91 5.21 -8.51 -0.74 0
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381799 134972629 1 ClSN4H15C16 ABC4D15E16 92.38 4.03 -8.59 -0.45 0
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381800 134972630 1 NOCl2F3H4C8 ABC2D3E4F8 -146.18 2.58 -10.32 -1.43 0
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381801 134972631 1 NSO2C10H11 ABC2D10E11 -79.58 3.7 -8.47 -0.52 0
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381802 134972632 1 NO6C26H35 AB6C26D35 -226.48 3.93 -8.72 -0.32 0
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381803 134972633 1 O3C13H18 A3B13C18 -125.31 1.84 -9.37 0.06 0
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381804 134972634 1 NO2C14H19 AB2C14D19 -43.23 5.11 -8.82 0.09 0
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381805 134972636 1 NSO3C11H11 ABC3D11E11 -93.96 7.1 -9.51 -0.82 1
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381806 134972637 1 NC6H6 AB6C6 71.1 1.7 0.0 0.0 0
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381807 134972638 1 NSO3H21C26 ABC3D21E26 -24.21 5.85 -9.01 -0.89 0
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381808 134972640 1 NOSiS2C29H35 ABCD2E29F35 -24.18 1.98 -8.77 -0.78 0
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381809 134972641 1 NSiS2O3C29H35 ABC2D3E29F35 -98.6 6.21 -8.86 -1.36 0
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381810 134972642 4 OC3H5 AB3C5 -190.41 2.43 -9.82 -0.88 0
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381811 134972644 2 NC15H16 AB15C16 89.41 0.65 -9.04 0.3 0
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381812 134972645 1 FeO5C16H22 AB5C16D22 -113.22 3.54 -7.39 -0.44 0
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381813 134972647 1 NSiO3C21H25 ABC3D21E25 -103.45 3.92 -9.18 -0.82 0
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381814 134972648 1 NSiO7C38H47 ABC7D38E47 -250.06 2.78 -8.33 -0.08 0
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381815 134972649 1 NSiO6C27H41 ABC6D27E41 -214.42 9.99 -8.84 -1.25 0
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381816 134972650 1 O3C19H30 A3B19C30 -169.38 1.93 -9.28 0.82 0
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381817 134972652 1 O4C15H24 A4B15C24 -181.13 1.98 -9.52 -0.18 0
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381818 134972653 1 SO6C7H10 AB6C7D10 -235.02 2.81 -10.11 -0.71 0
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381819 134972654 1 NO2C20H25 AB2C20D25 -61.72 2.13 -8.32 0.14 0
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381820 134972656 1 IN3O3C20H22 AB3C3D20E22 9.31 3.09 -9.48 -1.45 -1
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381823 134972660 1 AlO2C23H35 AB2C23D35 -130.34 2.51 -9.28 0.37 0
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381824 134972661 1 PN2O5C24H41 AB2C5D24E41 -328.36 1.99 -8.95 0.21 0
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381825 134972662 1 N3O4C32H33 A3B4C32D33 -120.76 3.05 -8.06 -0.24 0
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381826 134972663 1 SN3O5C37H37 AB3C5D37E37 -132.37 9.75 -8.38 -0.77 0
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381827 134972664 1 OSiC20H36 ABC20D36 -97.18 1.3 -8.7 1.27 0
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381828 134972665 1 OSiC20H36 ABC20D36 -96.06 1.08 -8.76 0.93 0
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381829 134972669 1 NC15H23 AB15C23 -4.85 1.66 -8.47 0.51 0
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381830 134972671 1 NSO3C20H21 ABC3D20E21 -63.16 5.95 -8.44 -0.7 0
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381831 134972672 1 NO4C27H35 AB4C27D35 -172.0 3.46 -9.37 -0.06 0
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381832 134972673 1 NCl2C11H15 AB2C11D15 -29.75 3.87 -9.54 -0.69 0
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381833 134972677 1 SiO4C29H44 AB4C29D44 -237.94 3.29 -8.97 0.13 0
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381834 134972679 1 NO4C27H33 AB4C27D33 -149.76 2.58 -9.39 0.0 0
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381835 134972680 2 NSO4C21H28 ABC4D21E28 -315.55 6.76 -9.05 -1.11 0
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381836 134972681 1 NO3C21H41 AB3C21D41 -184.42 2.18 -8.81 0.9 0
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381837 134972682 1 NO2C24H49 AB2C24D49 -156.75 2.28 -8.89 1.45 0
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381838 134972683 1 O3C13H16 A3B13C16 -115.56 1.99 -9.65 0.08 0
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381839 134972684 1 SC20H20 AB20C20 49.96 2.17 -8.27 0.23 0
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381840 134972685 1 SO2H26C29 AB2C26D29 -3.74 3.37 -8.37 -0.3 0
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381841 134972687 1 N2O11C22H26 A2B11C22D26 -434.2 3.88 -9.55 -0.84 0
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381842 134972688 1 SnN2O9C29H46 AB2C9D29E46 -411.42 5.65 -9.21 -0.73 0
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381843 134972689 3 O2C7H10 A2B7C10 -261.34 2.41 -9.4 -0.81 0
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381844 134972692 1 OH13C18 AB13C18 72.07 3.38 0.0 0.0 0
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381845 134972693 1 ClNO2C17H24 ABC2D17E24 -92.79 4.3 -9.61 0.03 0
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381846 134972694 1 O3H20C23 A3B20C23 -63.08 1.22 -8.75 -0.71 0
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381847 134972695 1 ClN2O5C20H21 AB2C5D20E21 -177.68 3.18 -9.6 -0.71 0
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381848 134972696 2 NO3C13H15 AB3C13D15 -214.3 2.96 -9.35 -0.12 0
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381849 134972697 1 NO7C21H21 AB7C21D21 -165.32 2.29 -9.44 -1.34 0
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381850 134972700 1 NO5H21C24 AB5C21D24 -127.67 7.08 -9.77 -0.75 0
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381852 134972702 1 SN3O8C25H27 AB3C8D25E27 -295.93 5.7 -9.36 -1.18 0
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381853 134972703 1 NSO3C11H11 ABC3D11E11 -101.07 6.6 -9.31 -1.02 0
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381854 134972704 1 SiO4C9H16 AB4C9D16 -215.18 5.24 -10.0 -0.56 0
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381855 134972706 1 ClNC15H22 ABC15D22 32.36 23.51 -6.38 -0.99 0
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381856 134972707 1 N2O5C24H28 A2B5C24D28 -158.16 4.43 -9.44 -0.51 0
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381857 134972709 1 CrO3C15H18 AB3C15D18 -0.41 2.24 -7.58 0.11 0
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381858 134972710 2 O2C8H9 A2B8C9 -126.12 7.54 -9.55 -0.5 0
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381859 134972711 2 O2C8H9 A2B8C9 -130.36 7.07 -9.45 -1.35 0
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381860 134972715 1 CrSiO9C34H40 ABC9D34E40 -338.09 3.89 -7.91 -0.26 0
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381861 134972716 1 CrSiO4C29H40 ABC4D29E40 -132.59 4.25 -7.86 -0.44 0
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381862 134972717 1 FN2O6C11H13 AB2C6D11E13 -281.51 6.28 -9.42 -0.92 0
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381863 134972718 1 SnN2O11C23H34 AB2C11D23E34 -463.92 7.37 -9.47 -0.65 0
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381864 134972719 1 Li2S2H4C5 A2B2C4D5 58.47 5.53 -7.77 0.82 0
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381865 134972720 1 SiO5C35H46 AB5C35D46 -230.03 3.54 -9.07 -0.06 0
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381866 134972722 1 O6C17H30 A6B17C30 -285.97 3.16 -9.98 1.51 0
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381868 134972724 2 OSiC9H11 ABC9D11 -111.02 2.27 -8.95 0.14 0
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381869 134972725 1 NCl2O2C11H13 AB2C2D11E13 -102.38 3.24 -8.87 -0.23 0
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381870 134972726 2 OC7H9 AB7C9 -59.71 2.26 -8.83 0.33 0
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381872 134972730 1 NOC20H21 ABC20D21 43.27 3.34 -8.82 -0.13 0
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381873 134972731 1 NOC15H19 ABC15D19 9.98 3.62 -8.73 -0.16 0
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381874 134972733 1 O3C15H20 A3B15C20 -123.74 2.77 -8.47 0.5 0
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381875 134972735 1 NOH5C6 ABC5D6 69.68 3.55 -8.3 -1.64 0
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381876 134972736 1 NC17H25 AB17C25 35.58 1.05 -8.62 0.46 0
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381877 134972737 1 O2N5C13H15 A2B5C13D15 4.81 5.92 -8.54 -0.7 0
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381878 134972738 1 O3C14H20 A3B14C20 -124.33 1.76 -9.5 0.22 0
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381879 134972739 1 NO2F3C17H22 AB2C3D17E22 -193.58 2.23 -8.44 0.04 0
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381880 134972740 1 NO2F3C15H18 AB2C3D15E18 -210.43 3.07 -8.63 -0.18 0
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381881 134972741 1 NO2F3C15H18 AB2C3D15E18 -207.41 4.29 -8.6 -0.05 0
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381882 134972742 1 NSiO3C21H27 ABC3D21E27 -129.78 3.33 -9.16 -0.07 0
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381883 134972743 1 O3C13H16 A3B13C16 -98.29 4.78 -9.82 -0.43 0