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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394747 135023675 2 OC8H9 AB8C9 -16.21 2.21 -9.38 -0.32 0
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394748 135023676 1 O5C19H28 A5B19C28 -236.74 4.64 -9.63 0.02 0
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394749 135023677 1 OC13H14 AB13C14 -19.16 2.96 -9.01 -0.28 0
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394750 135023684 1 SO4C8H16 AB4C8D16 -192.63 5.64 -9.72 0.29 0
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394751 135023690 1 NO6H15C17 AB6C15D17 -130.49 7.48 -10.0 -1.6 1
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394752 135023692 1 ON3C40H46 AB3C40D46 38.17 3.04 0.0 0.0 0
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394753 135023694 1 O2N4H14C25 A2B4C14D25 115.16 9.16 -9.67 -1.52 0
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394754 135023695 1 NO6C25H31 AB6C25D31 -202.27 3.69 -9.79 -0.22 0
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394755 135023696 2 NOC10H11 ABC10D11 -28.69 3.83 -8.96 -0.4 0
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394756 135023704 2 O5H11C13 A5B11C13 -98.87 5.68 -9.73 -0.89 0
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394757 135023705 1 GeN3C19H21 AB3C19D21 75.69 2.16 -8.54 -0.57 0
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394758 135023706 1 NOC19H19 ABC19D19 26.22 2.35 -8.51 0.14 0
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394759 135023707 2 OC9H11 AB9C11 -11.15 3.58 -9.38 -0.36 0
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394760 135023709 1 O2H20C21 A2B20C21 -23.94 4.09 -9.54 -0.68 0
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394762 135023715 1 N2O5C21H26 A2B5C21D26 -210.52 4.13 -8.27 -0.08 0
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394763 135023716 1 BrOC14H17 ABC14D17 -27.5 2.95 -8.55 0.27 0
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394764 135023717 1 O3H10C12 A3B10C12 -67.2 5.29 -9.06 -0.9 0
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394765 135023718 1 N4O4C11H20 A4B4C11D20 -135.87 2.78 -9.71 0.1 0
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394766 135023719 1 N2O3H40C41 A2B3C40D41 39.42 3.71 -8.96 -0.53 0
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394767 135023720 1 NO4C15H31 AB4C15D31 -209.27 6.69 -8.8 1.2 0
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394768 135023721 1 OF3H15C18 AB3C15D18 -149.83 2.68 -9.4 -0.69 0
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394769 135023722 1 ClOF3H8C15 ABC3D8E15 -139.52 2.52 -9.36 -1.14 0
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394770 135023734 1 O2C19H28 A2B19C28 -102.36 3.17 -9.18 0.7 0
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394771 135023737 1 SiO4C25H42 AB4C25D42 -234.44 2.55 -8.82 0.4 0
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394772 135023739 1 OSN2C13H16 ABC2D13E16 23.3 7.47 -8.44 -0.7 0
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394773 135023740 1 NO2C16H21 AB2C16D21 -44.85 1.66 -8.87 0.22 0
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394774 135023750 1 SN3H15C18 AB3C15D18 109.65 4.56 -8.88 -0.84 0
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394775 135023757 1 NO2C18H27 AB2C18D27 -83.62 2.65 -9.0 0.43 0
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394776 135023766 2 NOC10H11 ABC10D11 -27.32 3.24 -8.62 -0.73 0
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394777 135023787 1 O5C22H26 A5B22C26 -156.19 4.58 -9.03 -0.03 0
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394778 135023798 2 NO2H8C10 AB2C8D10 -45.04 3.41 -9.3 -0.86 0
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394779 135023801 1 SO4N5H21C22 AB4C5D21E22 45.63 6.96 -8.12 -0.97 0
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394780 135023802 1 SO3N5H19C22 AB3C5D19E22 114.64 4.72 -8.32 -1.65 0
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394781 135023803 1 NO4C37H55 AB4C37D55 -142.06 8.74 -8.76 -1.33 0
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394782 135023805 1 O5C16H20 A5B16C20 -216.99 5.96 -10.43 -0.79 -1
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394783 135023807 1 ClO4C16H16 AB4C16D16 -113.71 4.05 0.0 0.0 0
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394784 135023808 1 ClO4C16H17 AB4C16D17 -134.85 3.23 -9.26 -0.42 -1
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394785 135023809 1 ClO4C16H16 AB4C16D16 -114.52 3.62 0.0 0.0 0
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394786 135023810 1 ClO4C16H17 AB4C16D17 -135.55 2.27 -9.39 -0.35 0
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394788 135023817 1 NPO3C25H27 ABC3D25E27 -56.46 4.04 0.0 0.0 0
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394789 135023818 1 NPO3C25H28 ABC3D25E28 -59.63 5.72 -8.28 -0.61 1
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394790 135023819 1 O4H17C21 A4B17C21 -29.47 4.54 0.0 0.0 0
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394791 135023822 1 SN3H13C17 AB3C13D17 120.63 5.0 -9.0 -0.98 0
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394792 135023823 1 FSN3H10C16 ABC3D10E16 85.16 5.39 -9.22 -0.86 0
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394793 135023824 1 ClSN3H10C16 ABC3D10E16 121.14 3.09 -9.17 -1.14 0
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394794 135023827 2 O2H11C14 A2B11C14 -53.94 3.16 -8.86 -0.81 0
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394795 135023828 2 O3H7C8 A3B7C8 -144.24 4.21 -9.55 -0.53 0
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394797 135023830 1 ON2H17C19 AB2C17D19 62.16 5.41 0.0 0.0 0
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394798 135023832 1 NO5C19H29 AB5C19D29 -220.91 4.95 -8.81 -0.04 0
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394799 135023833 1 ON2H30C31 AB2C30D31 32.12 3.22 -8.49 -0.65 0
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394800 135023834 1 ON2C24H24 AB2C24D24 16.73 3.05 -8.62 -0.75 0
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394801 135023835 1 ON2H22C23 AB2C22D23 27.26 3.47 -8.49 -0.68 0
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394802 135023836 2 NOC12H12 ABC12D12 -14.06 4.35 -8.61 -0.74 0
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394803 135023837 1 ON3H21C24 AB3C21D24 57.89 5.32 -8.66 -0.8 0
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394804 135023838 1 OSN2H20C21 ABC2D20E21 31.64 2.31 -8.55 -0.68 0
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394805 135023839 1 N2O5H16C18 A2B5C16D18 -71.9 2.35 -8.97 -1.44 0
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394806 135023840 1 SiO3C30H40 AB3C30D40 -144.98 3.17 -8.74 0.12 0
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394807 135023841 1 SSiO5C31H42 ABC5D31E42 -229.36 5.15 -8.74 0.04 0
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394808 135023842 1 N2O3H36C37 A2B3C36D37 -50.36 3.56 -8.85 -1.15 0
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394809 135023843 1 NO2C8H15 AB2C8D15 -84.25 5.43 -8.38 0.16 1
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394810 135023844 1 NO2C8H16 AB2C8D16 -71.4 1.29 0.0 0.0 0
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394811 135023845 1 O5C17H24 A5B17C24 -199.3 2.49 -9.34 0.38 0
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394812 135023846 1 O6C17H24 A6B17C24 -244.87 3.54 -9.45 0.25 0
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394813 135023847 1 O6C17H22 A6B17C22 -215.85 1.36 -9.6 -0.6 2
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394814 135023848 1 OSiSn2F3C16H21 ABC2D3E16F21 -136.61 4.27 -7.85 -2.46 2
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394815 135023849 1 OSn2F3C10H13 AB2C3D10E13 -123.2 3.43 -7.8 -2.37 0
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394817 135023860 1 NOC26H29 ABC26D29 8.51 4.09 -8.3 0.13 0
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394818 135023861 1 NO3C26H29 AB3C26D29 -53.4 2.62 -8.38 0.05 0
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394819 135023862 1 NOC26H29 ABC26D29 8.77 3.87 -8.35 0.07 0
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394820 135023863 1 NOCl2H23C24 ABC2D23E24 5.8 3.62 -9.18 -0.27 0
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394821 135023864 1 OBr2N2H22C23 AB2C2D22E23 18.08 3.5 -9.28 -0.39 0
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394822 135023866 1 SN2O2C25H26 AB2C2D25E26 -8.9 6.02 -9.19 -0.41 0
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394823 135023868 1 O3H16C18 A3B16C18 -74.02 3.9 -9.46 -0.78 0
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394824 135023869 1 INSSiC14H22 ABCDE14F22 -0.51 1.03 -8.74 -0.81 0
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394825 135023870 1 NO3C12H13 AB3C12D13 -92.61 3.92 -9.38 -0.7 0
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394826 135023879 1 O3N4C10H18 A3B4C10D18 -89.0 4.71 -9.58 0.37 1
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394827 135023880 1 N2O2C12H19 A2B2C12D19 -69.19 2.8 0.0 0.0 0
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394828 135023884 1 BrSiO4C35H47 ABC4D35E47 -155.13 3.91 -9.18 -0.12 0
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394829 135023890 1 NSiO5C29H39 ABC5D29E39 -227.5 4.36 -9.14 -0.21 0
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394831 135023894 1 NO3C10H11 AB3C10D11 -69.57 5.69 -8.57 -0.31 0
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394832 135023895 1 O5H20C27 A5B20C27 -93.06 6.99 -9.6 -0.82 0
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394833 135023909 1 N3O3H19C20 A3B3C19D20 -31.0 3.37 -9.56 -1.07 0
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394834 135023910 1 N2O2H14C17 A2B2C14D17 7.29 3.11 -9.88 -1.05 0
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394835 135023911 1 N2O3C20H20 A2B3C20D20 -60.87 1.71 -9.83 -0.93 0
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394836 135023913 1 SN2O2C22H22 AB2C2D22E22 -9.83 2.03 -9.43 -1.01 0
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394837 135023914 1 OF3C10H13 AB3C10D13 -171.42 3.42 -10.36 0.03 1
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394838 135023915 1 OC4H7 AB4C7 5.51 2.02 0.0 0.0 0
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394839 135023921 1 NSO2C12H17 ABC2D12E17 -42.86 3.97 -8.42 -0.42 0
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394840 135023922 1 SO4N6C21H26 AB4C6D21E26 -107.12 7.54 -9.3 -1.04 1
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394841 135023924 5 C3H5 A3B5 -13.74 0.75 0.0 0.0 0
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394842 135023925 1 OSN3F6C24H25 ABC3D6E24F25 -331.08 4.93 -9.07 -1.22 0
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394843 135023927 1 O4C11H12 A4B11C12 -161.93 3.63 -9.54 -0.67 0
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394844 135023935 1 PN2S2O9C13H21 AB2C2D9E13F21 -437.29 8.41 -8.97 -1.08 -1
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394845 135023938 1 PN2O9C11H16 AB2C9D11E16 -368.61 6.23 0.0 0.0 0
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394846 135023940 1 NOSC21H23 ABCD21E23 -2.35 2.17 -8.88 -0.29 0
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394847 135023941 1 OSN2C22H22 ABC2D22E22 28.05 7.01 -9.06 -0.57 0
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394848 135023942 1 NSO2C23H25 ABC2D23E25 -43.54 1.44 -8.91 -0.6 0
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394849 135023944 1 NSO7C33H39 ABC7D33E39 -201.81 5.93 -8.42 -0.27 1
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394850 135023951 1 ClSnO2F3H11C14 ABC2D3E11F14 -156.74 1.48 0.0 0.0 1
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394851 135023953 1 SnO2F3H14C15 AB2C3D14E15 -157.39 6.16 0.0 0.0 0