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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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408090 135080845 1 CuN12C132H204 AB12C132D204 349.49 15.35 0.0 0.0 0
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408091 135080846 2 N6C66H103 A6B66C103 120.61 9.68 -7.99 -2.37 0
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408092 135080847 1 O3C8H10 A3B8C10 -108.94 3.6 -9.63 0.14 0
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408093 135080848 1 NO3C13H15 AB3C13D15 -80.75 5.81 -8.18 -0.78 0
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408094 135080849 1 O2C11H14 A2B11C14 -60.98 1.31 -8.91 0.2 0
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408095 135080850 1 ON2C11H18 AB2C11D18 -28.83 3.09 -8.85 0.05 0
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408096 135080852 1 O2C13H16 A2B13C16 -91.17 5.89 -9.48 0.08 0
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408097 135080853 1 ON2C12H16 AB2C12D16 -14.32 3.35 -9.36 0.4 0
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408098 135080854 1 ClO3C10H11 AB3C10D11 -129.24 5.05 -9.49 -0.22 0
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408099 135080855 1 N3O5C8H15 A3B5C8D15 -167.64 2.53 -10.15 -0.3 -2
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408100 135080856 1 PC6O7H9 AB6C7D9 -318.97 4.89 -10.25 -1.35 0
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408101 135080857 1 HLiMgS2Cl4C6 ABCD2E4F6 -52.92 7.12 -9.6 -2.13 0
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408102 135080858 1 N2O3C7H10 A2B3C7D10 -83.62 2.01 -9.68 -0.62 1
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408103 135080859 1 N2O3C7H11 A2B3C7D11 -74.75 3.87 0.0 0.0 0
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408104 135080860 2 OC5H6 AB5C6 -42.26 5.18 -8.76 -1.06 0
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408105 135080861 1 ClO3C10H11 AB3C10D11 -99.43 5.18 -9.56 -0.86 0
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408106 135080862 1 NC12H15 AB12C15 25.5 2.03 -9.33 -0.17 -1
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408107 135080863 1 FN2O3C6H6 AB2C3D6E6 -107.04 5.38 0.0 0.0 0
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408108 135080864 1 FN2O3C6H7 AB2C3D6E7 -139.74 6.74 -9.18 -0.02 0
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408109 135080865 1 O2C13H22 A2B13C22 -114.4 3.81 -9.59 0.75 0
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408110 135080866 1 ClOF3H4C8 ABC3D4E8 -140.01 1.79 -9.84 -0.7 0
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408111 135080867 1 O3C12H14 A3B12C14 -89.91 3.99 -9.49 0.04 0
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408112 135080868 2 NOH5C6 ABC5D6 11.3 5.76 -8.6 -0.74 0
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408114 135080870 1 BrClSC10H10 ABCD10E10 27.1 2.31 -8.8 -0.65 0
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408115 135080871 1 ZnN16H32C72 AB16C32D72 871.4 5.02 -7.82 -3.23 0