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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407984 135080739 1 O4C7H12 A4B7C12 -160.05 7.74 -10.36 -0.47 0
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407985 135080740 2 FSH3C5 ABC3D5 -24.61 1.28 -9.15 -0.75 0
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407986 135080741 1 OC11H14 AB11C14 -29.27 2.67 -9.17 0.32 0
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407987 135080742 1 ON2C9H10 AB2C9D10 6.96 4.72 -9.57 -0.56 0
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407988 135080743 1 ClSiO3C12H23 ABC3D12E23 -197.17 2.52 -8.89 -0.03 0
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407989 135080744 1 NO2S2C9H9 AB2C2D9E9 -48.32 5.84 -8.09 -1.12 0
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407990 135080745 1 OC15H18 AB15C18 -4.63 2.28 -9.31 0.37 0
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407991 135080746 1 NO6C9H17 AB6C9D17 -281.54 6.47 -9.9 0.76 0
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407992 135080747 1 PSC6O8H13 ABC6D8E13 -419.03 3.6 -9.99 -0.92 -2
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407993 135080748 1 NO4C8H11 AB4C8D11 -151.49 1.41 -8.63 0.31 -2
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407994 135080749 1 NO4C9H13 AB4C9D13 -156.18 1.76 -8.62 0.31 -2
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407995 135080750 1 NO5C7H11 AB5C7D11 -187.91 0.38 -8.92 0.07 0
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407996 135080751 1 NOF3H10C11 ABC3D10E11 -165.81 3.61 -10.26 -0.79 -2
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407997 135080752 1 NO4C9H13 AB4C9D13 -167.25 1.5 -8.54 0.28 0
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407998 135080753 1 NO2C8H13 AB2C8D13 -80.84 4.26 -11.09 0.44 0
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408000 135080755 1 ClO3C10H11 AB3C10D11 -99.48 4.73 -9.58 -0.88 0
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408001 135080756 1 BrSF2C7H11 ABC2D7E11 -107.1 3.65 -8.85 -0.68 0
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408002 135080757 1 FO3C7H11 AB3C7D11 -193.42 3.33 -10.14 0.02 0
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408003 135080758 1 NOF3C4H6 ABC3D4E6 -204.04 3.48 -10.78 -0.16 0
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408004 135080759 1 O3C13H14 A3B13C14 -61.71 1.77 -9.5 -0.18 0
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408005 135080760 1 NOC11H17 ABC11D17 -37.6 3.1 -7.89 0.31 0
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408006 135080761 1 OCl3C13H13 AB3C13D13 -27.79 1.36 -9.36 -0.42 0
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408007 135080762 1 O2S3H12C13 A2B3C12D13 -20.7 4.32 -8.94 -1.12 1
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408008 135080763 1 ON2C8H9 AB2C8D9 -8.87 3.9 0.0 0.0 0
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408009 135080764 1 NPO3C12H24 ABC3D12E24 -232.63 5.34 -9.13 1.35 0
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408010 135080765 1 NOC13H21 ABC13D21 -53.18 4.76 -8.0 0.37 0
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408011 135080766 1 NSeO2C5H7 ABC2D5E7 -53.64 4.37 -8.6 -0.62 0
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408012 135080767 1 NS2O3C9H9 AB2C3D9E9 -60.36 1.58 -9.32 -1.87 0
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408013 135080768 1 ON5C9H17 AB5C9D17 37.94 7.47 -10.0 -0.16 0
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408014 135080769 1 O2F3C7H7 A2B3C7D7 -207.77 3.3 -9.59 -0.82 0
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408015 135080770 1 OCl4C5F6 AB4C5D6 -366.14 0.88 -11.78 -1.43 0
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408016 135080771 1 OSN2C12H16 ABC2D12E16 -18.39 5.9 -8.38 -0.04 0
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408017 135080772 1 O3C10H16 A3B10C16 -140.46 2.59 -10.25 0.26 0
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408018 135080773 1 NOC12H15 ABC12D15 18.04 3.39 -9.44 0.24 0
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408019 135080774 1 NOC14H19 ABC14D19 -26.06 2.55 -8.78 0.31 0
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408020 135080775 1 N2C13H18 A2B13C18 11.62 1.85 -8.09 0.46 0
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408021 135080776 1 OI2H10C11 AB2C10D11 68.05 1.75 -9.7 -1.12 0
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408022 135080777 1 ON2C10H18 AB2C10D18 -27.12 4.23 -9.51 0.75 0
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408023 135080778 2 NOC4H7 ABC4D7 -86.18 4.76 -10.49 0.69 0
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408024 135080779 1 BrNO3H10C11 ABC3D10E11 -105.42 4.88 -9.49 -0.49 0
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408025 135080780 1 ClO5C7H13 AB5C7D13 -249.16 4.67 -10.26 0.13 0
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408026 135080781 1 NC12H15 AB12C15 19.35 2.14 -9.06 -0.05 0
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408027 135080782 1 NO4C8H15 AB4C8D15 -124.5 4.72 -11.02 -0.53 0
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408028 135080783 1 NSiO2Cl3C8H8 ABC2D3E8F8 -110.74 5.33 -9.89 -1.35 0
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408029 135080784 1 NOC13H19 ABC13D19 -45.6 2.06 -9.63 0.11 0
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408030 135080785 1 ON3C11H15 AB3C11D15 29.72 4.43 -9.46 0.15 0
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408031 135080786 1 O3C14H18 A3B14C18 -126.48 1.22 -9.82 -0.67 0
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408032 135080787 1 FO2C9H17 AB2C9D17 -179.74 3.81 -11.24 0.32 0
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408033 135080788 1 BrOC13H17 ABC13D17 -26.39 2.4 -9.04 -0.32 0
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408034 135080789 1 SSiF2C10H18 ABC2D10E18 -128.63 2.08 -8.53 0.07 0
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408035 135080790 1 ClO3C12H15 AB3C12D15 -136.98 3.45 -9.4 -0.09 0
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408036 135080791 1 IOSC13H17 ABCD13E17 4.53 5.12 -8.31 -0.82 0
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408037 135080792 1 O3C8H8 A3B8C8 -96.13 5.14 -9.78 -0.02 0
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408039 135080794 2 N4P4O12C36H53 A4B4C12D36E53 -1347.76 11.29 -7.49 -1.73 0
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408040 135080795 1 CoCl4O12N20H48C92 AB4C12D20E48F92 631.93 26.22 0.0 0.0 0
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408041 135080796 2 Cl2O6N10H25C46 A2B6C10D25E46 513.72 9.83 -8.3 -2.44 0
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408042 135080797 1 ZnCl4S4N8O24C104H124 AB4C4D8E24F104G124 -514.1 12.18 -8.83 -2.93 0
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408043 135080798 2 Cl2S2N4O12C52H63 A2B2C4D12E52F63 -665.46 21.54 -7.72 -2.64 2
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408045 135080800 1 OVN8H24C32 ABC8D24E32 294.91 14.41 0.0 0.0 0
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408046 135080801 1 ClNSO2C10H10 ABCD2E10F10 19.3 6.33 -9.2 -1.32 0
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408047 135080802 1 CoH4N8F28C40 AB4C8D28E40 -965.17 11.78 0.0 0.0 0
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408048 135080803 1 CoN16C32H48 AB16C32D48 208.28 31.48 0.0 0.0 0
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408049 135080804 1 ClInN16C32H48 ABC16D32E48 184.91 8.58 -7.26 -1.73 0
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408050 135080805 1 ZnN8O8C200H288 AB8C8D200E288 -215.72 8.25 -7.82 -2.6 0
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408051 135080806 2 N4O4C100H145 A4B4C100D145 -383.58 7.92 -8.0 -2.48 0
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408052 135080807 1 ZnN8O9C118H134 AB8C9D118E134 169.74 5.74 -8.09 -2.88 0
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408053 135080808 1 N8O9C118H136 A8B9C118D136 106.95 12.64 -8.14 -3.01 0
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408054 135080809 1 GaNa3S3N8O12H21C38 AB3C3D8E12F21G38 -202.53 10.08 0.0 0.0 0
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408055 135080810 1 GaS3N8O11H22C38 AB3C8D11E22F38 100.38 7.91 0.0 0.0 0
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408056 135080811 1 FSO2C13H17 ABC2D13E17 -109.53 3.81 -10.15 -0.54 0
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408057 135080812 1 PCl2O3C8H15 AB2C3D8E15 -202.34 2.27 -9.83 -0.18 0
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408058 135080813 1 N2H12C15 A2B12C15 75.01 1.14 -8.96 -1.02 0
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408059 135080814 1 FPO3C8H14 ABC3D8E14 -217.21 5.47 -9.94 -0.44 0
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408060 135080815 1 FOC11H15 ABC11D15 -93.28 3.11 -9.48 0.28 0
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408061 135080816 1 NOC11H17 ABC11D17 -49.62 3.74 -8.54 1.1 0
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408062 135080817 1 ClF2C13H15 AB2C13D15 -102.3 2.78 -9.63 -0.44 0
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408063 135080818 1 OSN2C6H14 ABC2D6E14 -58.04 5.06 -8.62 0.69 0
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408064 135080819 1 NO2C11H13 AB2C11D13 -60.33 3.7 -9.56 -0.18 0
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408065 135080820 1 ON2C10H12 AB2C10D12 2.67 4.74 -9.55 -0.54 0
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408066 135080821 1 N2O2C7H12 A2B2C7D12 -47.21 1.25 -9.12 -0.03 0
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408067 135080822 1 FON2C12H15 ABC2D12E15 -50.41 3.42 -9.6 -0.1 0
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408068 135080823 1 NO5C7H13 AB5C7D13 -169.53 3.62 -10.74 -0.76 0
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408069 135080824 1 NOC9H11 ABC9D11 12.35 2.42 -9.93 0.72 0
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408070 135080825 1 NSC7O7H15 ABC7D7E15 -316.69 5.79 -10.51 0.01 -2
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408071 135080826 1 O4C9H12 A4B9C12 -157.47 1.37 -10.88 0.36 0
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408072 135080827 1 O3C12H16 A3B12C16 -90.79 2.19 -9.36 0.11 0
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408073 135080828 1 N2O4H10C11 A2B4C10D11 -69.7 5.88 -8.48 -0.48 0
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408074 135080829 1 NS2O3C6H7 AB2C3D6E7 -41.48 3.74 -9.19 -1.5 0
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408075 135080830 1 FOC12H13 ABC12D13 -60.48 2.01 -9.74 -0.73 0
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408076 135080831 1 BrNOH12C14 ABCD12E14 33.0 3.87 -9.38 -0.82 0
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408077 135080832 1 NO4C7H13 AB4C7D13 -188.04 2.81 -9.99 1.5 0
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408078 135080833 1 CuN8S8O16C80H112 AB8C8D16E80F112 -241.04 15.12 0.0 0.0 0
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408079 135080834 1 ZnCl4N8O12H16F36C52 AB4C8D12E16F36G52 -2037.42 4.31 -9.66 -2.7 0
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408080 135080835 1 BO7N9H34C36 AB7C9D34E36 23.46 4.43 -8.26 -2.69 0
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408081 135080836 1 BON6H23C42 ABC6D23E42 490.26 10.95 -8.48 -2.23 0
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408083 135080838 2 N5C60H66 A5B60C66 358.94 11.23 -7.52 -1.62 0
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408085 135080840 2 Br5N5H21C40 A5B5C21D40 751.92 7.86 -8.96 -2.57 0
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408086 135080841 1 NiN8H30C44 AB8C30D44 439.36 6.02 -7.64 -1.91 0
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408087 135080842 1 BrSH4Cl5C10 ABC4D5E10 31.65 1.23 -9.25 -1.14 0
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408088 135080843 1 CoS8N16O16C64H88 AB8C16D16E64F88 -18.74 75.38 0.0 0.0 2