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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8847 82451 1 SN2C18H20 AB2C18D20 47.9 3.27 -8.02 -0.51 0
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8848 82461 2 NSC5H6 ABC5D6 44.34 1.53 -8.62 -0.62 0
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8849 82490 1 SN2O2C11H12 AB2C2D11E12 -0.56 2.35 -9.2 -0.27 0
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8850 82514 2 O3C4H7 A3B4C7 -280.03 4.17 -10.39 0.08 0
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8851 82550 1 NOC6H9 ABC6D9 -49.12 3.71 -8.91 0.53 0
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8852 82581 1 NaN3O3S3H14C21 AB3C3D3E14F21 -68.68 6.33 -8.46 -1.12 0
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8853 82592 1 OC5F10 AB5C10 -516.65 0.64 -11.2 -1.39 0
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8854 82595 1 OC16H32 AB16C32 -101.16 2.2 -9.54 1.37 0
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8857 82599 1 O2C9H16 A2B9C16 -104.17 2.12 -10.61 -0.1 0
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8858 82627 1 KSO7H9C10 ABC7D9E10 -311.81 7.86 -9.98 -0.7 0
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8859 82633 1 BrO2C3H3 AB2C3D3 -64.39 4.03 -10.94 -1.06 0
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8860 82648 3 OH6C8 AB6C8 3.27 2.07 -8.84 -0.29 0
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8861 82652 1 OC6H12 AB6C12 -58.56 1.37 -9.92 1.13 0
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8862 82653 1 NO3C10H17 AB3C10D17 -163.22 5.09 -9.96 0.8 0
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8863 82656 1 NC16H19 AB16C19 43.78 1.42 -8.83 0.38 0
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8864 82670 1 NaPO4C20H26 ABC4D20E26 -268.63 7.53 -8.3 0.08 0
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8865 82677 1 N2O3H6C8 A2B3C6D8 10.74 7.0 -10.27 -1.62 0
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8866 82678 2 INSC5H13 ABCD5E13 43.98 42.21 -6.29 -2.72 0
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8867 82679 2 NSC5H13 ABC5D13 22.36 12.51 -6.96 -0.23 2
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8868 82706 1 OC15H28 AB15C28 -102.01 3.12 -9.91 0.83 0
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8869 82708 2 O3C10H10 A3B10C10 -177.09 1.82 -8.96 -1.35 0
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8870 82709 1 NNaSO5H12C17 ABCD5E12F17 -180.08 5.12 -8.42 -0.55 0
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8871 82710 2 O3C16H30 A3B16C30 -395.58 4.44 -10.62 0.7 0
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8872 82711 1 O2C11H14 A2B11C14 -76.2 3.08 -9.15 -0.57 0
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8873 82714 1 ClNC8H12 ABC8D12 -19.17 0.66 -8.73 0.08 0
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8874 82793 1 BWH2 ABC2 261.39 1.38 0.0 0.0 0
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8880 82873 1 TaSe2 AB2 164.67 5.3 0.0 0.0 0
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8883 82891 1 HOLi2 ABC2 -20.75 5.36 0.0 0.0 1
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8884 82892 1 PH2Li3 AB2C3 209.38 5.1 0.26 1.86 2
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8885 82893 1 SbH3Li3 AB3C3 107.47 0.92 0.0 0.0 3
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8886 83000 1 AsNb AB 253.59 3.14 -6.56 -0.26 0
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8887 83063 1 O3C10H10 A3B10C10 -106.78 3.69 -9.68 -0.69 0
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8888 83116 2 ClO2C4H8 AB2C4D8 -207.29 2.96 -10.28 0.56 0
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8889 83121 1 ON2C8H16 AB2C8D16 -39.52 3.9 -9.02 0.56 0
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8890 83122 1 NO3H15C16 AB3C15D16 -69.87 4.57 -8.45 -0.24 0
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8891 83141 1 O2C9H10 A2B9C10 -64.95 2.26 -9.36 -0.7 0
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8892 83169 2 NO2C8H10 AB2C8D10 -167.19 7.52 -8.79 -0.32 0
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8893 83213 1 N3O4C13H13 A3B4C13D13 -40.02 7.08 -10.06 -1.18 0
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8894 83261 2 AsC5H8 AB5C8 48.75 0.27 -8.18 0.57 0
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8895 83267 2 NOC7H13 ABC7D13 -136.13 4.04 -9.43 0.85 0
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8896 83292 1 NOC36H73 ABC36D73 -215.62 4.04 -9.57 1.32 0
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8897 83297 1 Cl3C4H7 A3B4C7 -46.51 2.59 -11.12 -0.44 0
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8898 83355 1 O3C10H12 A3B10C12 -116.01 6.06 -9.12 -0.07 0
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8899 83356 1 S2N3O3C12H15 A2B3C3D12E15 -71.35 2.59 -8.4 -1.7 0
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8900 83357 1 ON2C12H18 AB2C12D18 -12.22 1.32 -8.29 0.34 0
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8901 83414 1 OP2S4C8H20 AB2C4D8E20 -216.47 3.73 -9.12 -0.53 0
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8902 83416 1 NO3C10H11 AB3C10D11 -38.55 7.69 -9.41 -1.01 0
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8903 83417 1 NO3C10H11 AB3C10D11 -31.45 3.75 -9.74 -1.52 0
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8904 83419 2 NOSC2H2 ABCD2E2 27.11 4.02 -9.64 -1.95 0
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8905 83421 1 SN2O2C13H13F17 AB2C2D13E13F17 -913.08 5.53 -9.04 -1.02 0
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8906 83434 1 N2O2C9H18 A2B2C9D18 -104.74 1.36 -9.23 1.24 0
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8907 83435 1 O4N5C15H15 A4B5C15D15 -95.69 4.12 -9.2 -1.31 0
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8908 83436 1 Cl2N3O4C22H33 A2B3C4D22E33 -217.16 2.19 -8.68 0.03 0
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8909 83439 6 CF2 AB2 -563.04 2.44 -11.76 -1.16 0
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8910 83442 1 O4C9H16 A4B9C16 -208.45 1.96 -10.83 0.72 0
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8911 83445 1 N2O4H8C9 A2B4C8D9 -149.17 5.03 -10.6 -1.35 0
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8912 83449 1 Cl2O2N4C7H10 A2B2C4D7E10 -49.91 3.95 -9.82 -1.17 0
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8913 83451 1 NCl2H3O4C8 AB2C3D4E8 -63.82 0.98 -11.85 -2.45 0
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8914 83454 1 SN2O9C46H94 AB2C9D46E94 -505.13 20.34 -8.58 -1.62 0
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8915 83457 2 NOC5H5 ABC5D5 19.8 1.48 -8.5 -0.67 0
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8916 83465 1 N3O4H7C9 A3B4C7D9 26.14 4.95 -9.19 -1.8 0
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8917 83475 2 NC6H9 AB6C9 14.43 2.11 -8.74 -0.05 0
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8919 83523 1 NSO2H13C20 ABC2D13E20 12.85 3.61 -8.43 -1.56 0
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8920 83536 1 ClSiO2C8H19 ABC2D8E19 -199.94 4.51 -9.23 1.25 0
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8921 83546 1 BI3 AB3 18.35 0.0 -9.76 -3.62 0
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8922 83565 1 NPO5C11H16 ABC5D11E16 -187.63 5.43 -10.04 -1.27 0
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8923 83613 1 OH8C9 AB8C9 43.67 1.57 -8.93 0.21 0
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8924 83616 1 NO2H9C11 AB2C9D11 25.75 5.53 -9.42 -1.48 0
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8925 83629 1 SN3H9C10 AB3C9D10 84.25 3.28 -8.76 -1.04 0
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8926 83630 1 ClNSO3C9H10 ABCD3E9F10 -120.95 9.84 -9.34 -1.13 0
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8927 83632 1 NC16H19 AB16C19 46.51 2.05 -8.72 0.34 0
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8929 83691 1 NSO4C11H17 ABC4D11E17 -154.75 4.53 -9.1 -0.73 0
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8930 83694 1 SO2C10H12 AB2C10D12 -75.8 3.72 -8.98 -0.31 0
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8931 83695 1 C3N3O3H7 A3B3C3D7 -81.09 2.26 -10.22 -0.84 0
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8932 83701 1 SO2C14H28 AB2C14D28 -144.92 6.1 -9.36 -0.27 0
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8933 83703 2 C2N2H3 A2B2C3 42.14 3.41 -8.95 -0.44 0
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8934 83765 2 O3C9H13 A3B9C13 -238.81 3.83 -10.49 0.51 0
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8935 83777 2 OC5H8 AB5C8 -68.15 2.36 -10.66 0.77 0
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8936 83808 1 ClO2N3C8H14 AB2C3D8E14 -62.85 4.74 -10.14 -0.76 0
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8937 83809 1 ClO2N3C15H28 AB2C3D15E28 -93.82 4.89 -10.08 -0.69 0
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8938 83810 1 O4C11H14 A4B11C14 -132.67 5.45 -9.06 -0.34 0
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8939 83811 2 NC5H8 AB5C8 19.73 1.76 -9.08 0.36 0
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8940 83812 1 Cl4H4C7 A4B4C7 -11.45 1.82 -9.78 -0.97 0
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8941 83830 1 N2O4C21H26 A2B4C21D26 -156.81 5.8 -8.83 -0.67 0
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8942 83853 1 NSCl2O6C21H27 ABC2D6E21F27 -215.31 8.04 -9.77 -0.73 0
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8943 83893 1 O15C43H64 A15B43C64 -722.89 10.34 -9.47 -0.07 0
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8945 83904 1 ISN3O3C18H24 ABC3D3E18F24 -115.38 5.02 -9.12 -1.15 0
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8946 83950 1 Cl2N2O8C31H48 A2B2C8D31E48 -330.83 3.08 -10.54 -1.7 0
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8947 83951 1 SN2O16C37H70 AB2C16D37E70 -790.13 6.41 -9.04 0.0 0
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8948 83952 1 N2O12C37H70 A2B12C37D70 -633.15 4.36 -8.74 0.36 0
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8949 83961 1 NO16C40H73 AB16C40D73 -817.94 10.5 -9.16 0.05 0
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8950 83968 1 N2O11C31H56 A2B11C31D56 -521.95 6.17 -8.98 0.46 0
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8951 83970 1 NO11C27H31 AB11C27D31 -440.95 5.3 -8.94 -1.9 0
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8952 83972 1 NO14C38H65 AB14C38D65 -680.64 10.49 -9.04 0.18 0
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8953 83978 1 SN3O15C45H77 AB3C15D45E77 -711.51 7.73 -8.63 -0.72 0
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8954 84017 1 N3O14C43H81 A3B14C43D81 -624.27 7.16 -8.48 0.32 0
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8955 84019 1 NO12C39H69 AB12C39D69 -584.04 7.92 -8.24 0.85 0
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8956 84021 1 NO15C53H99 AB15C53D99 -827.95 5.89 -9.07 0.43 0
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8957 84024 1 N3O3C19H21 A3B3C19D21 -47.76 3.2 -9.16 -0.64 0
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8958 84025 2 NO7C19H33 AB7C19D33 -653.27 4.57 -9.05 -0.12 0