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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2016 5594 2 ClOC8H9 ABC8D9 -102.15 2.45 -9.91 -1.14 0
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2017 5601 1 SO2F3H5C8 AB2C3D5E8 -194.56 6.37 -9.86 -1.46 0
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2018 5602 2 OC12H14 AB12C14 -73.18 7.71 -9.25 -0.58 0
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2019 5604 1 N4O4C11H14 A4B4C11D14 -119.34 4.48 -8.77 -0.35 0
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2020 5607 1 N4O16C37H60 A4B16C37D60 -747.72 10.47 -10.09 -0.7 0
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2021 5608 1 N4O16C39H64 A4B16C39D64 -769.0 4.27 -10.16 -0.73 0
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2022 5610 1 NOC8H11 ABC8D11 -27.09 0.93 -8.9 0.1 0
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2023 5612 1 O3N4H8C13 A3B4C8D13 15.91 4.21 -9.31 -1.77 0
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2024 5613 1 ON2H8C10 AB2C8D10 36.11 3.37 -9.38 -0.32 0
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2025 5614 1 ON2C18H22 AB2C18D22 13.61 5.66 -9.1 -1.11 0
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2026 5616 1 ON3C21H36 AB3C21D36 -39.89 6.85 0.0 0.0 1
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2027 5617 1 ON3C21H35 AB3C21D35 -70.19 3.46 -8.83 1.15 0
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2028 5618 1 O4C21H34 A4B21C34 -194.22 5.45 -9.45 0.58 0
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2029 5619 1 OCl2N2C19H26 AB2C2D19E26 -56.5 5.91 -8.64 -0.38 0
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2030 5620 2 ClNOC11H15 ABCD11E15 -103.44 6.51 -8.6 -0.4 0
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2031 5621 1 N2O3C29H42 A2B3C29D42 -159.17 4.34 -8.42 -0.06 0
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2032 5623 1 NO2C23H37 AB2C23D37 -101.17 1.68 -9.55 -0.62 0
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2033 5629 1 N2O6C25H28 A2B6C25D28 -223.65 4.54 -8.94 -0.75 0
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2034 5630 1 SN2O5C28H28 AB2C5D28E28 -101.76 5.88 -8.71 -1.22 0
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2035 5631 1 N2O3C29H40 A2B3C29D40 -117.4 1.99 -8.43 -1.46 0
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2036 5632 1 NO2F3C18H18 AB2C3D18E18 -219.03 4.1 -8.73 -0.83 0
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2037 5633 2 S2O3N4C16H21 A2B3C4D16E21 -175.02 5.54 -8.64 -1.15 0
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2038 5634 1 O2C11H20 A2B11C20 -110.43 5.28 -10.11 0.58 0
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2039 5637 2 SN3H8C9 AB3C8D9 122.25 1.69 -8.35 -0.54 0
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2040 5641 1 NO2C3H7 AB2C3D7 -100.71 2.25 -10.68 0.86 0
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2041 5645 4 OC6H10 AB6C10 -250.56 4.27 -10.27 0.64 0
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2042 5647 1 O4N6C13H20 A4B6C13D20 -108.77 11.15 -9.26 -0.34 0
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2043 5648 1 NO2C19H32 AB2C19D32 -74.4 1.29 0.0 0.0 1
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2044 5649 6 NO3C9H15 AB3C9D15 -922.4 9.35 -10.11 -0.4 0
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2045 5655 1 BrON2H15C17 ABC2D15E17 5.64 2.16 -8.3 -1.19 0
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2046 5661 1 N3O7C27H35 A3B7C27D35 -203.67 3.58 -8.16 -0.17 0
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2047 5664 2 NO2C15H24 AB2C15D24 -175.81 6.23 -8.93 -0.05 0
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2048 5666 1 NO3C13H19 AB3C13D19 -100.49 3.9 -8.45 0.16 0
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2049 5667 1 N4O9C46H58 A4B9C46D58 -309.5 3.52 -8.24 -0.1 0
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2050 5668 1 N2O3C21H26 A2B3C21D26 -98.78 4.13 -8.28 0.09 0
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2051 5670 1 N5O7C44H57 A5B7C44D57 -231.36 7.92 -8.26 -0.2 0
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2052 5673 2 NOC11H13 ABC11D13 -41.05 4.62 -8.14 -0.51 0
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2053 5675 1 O5C24H28 A5B24C28 -180.54 4.62 -8.83 -0.47 0
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2054 5676 1 O5C35H58 A5B35C58 -320.61 6.91 -8.6 0.11 0
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2055 5677 1 NO7C10H21 AB7C10D21 -341.57 2.74 -9.4 1.17 0
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2056 5680 1 ClSN2O2C14H17 ABC2D2E14F17 -52.08 5.38 -9.38 -1.25 0
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2057 5681 1 ClSN2O2C16H21 ABC2D2E16F21 -62.74 5.02 -9.44 -1.3 0
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2058 5682 1 S3N7O8C37H49 A3B7C8D37E49 -269.64 10.42 -8.28 -1.08 0
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2059 5686 1 N4O6C29H40 A4B6C29D40 -221.27 5.83 -9.27 -0.3 0
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2060 5689 1 N2O3H26C27 A2B3C26D27 -32.05 6.24 -8.45 -0.68 0
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2061 5692 2 NO10C31H33 AB10C31D33 -722.66 13.79 -6.58 -2.38 2
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2062 5695 1 N3Na3S3H8O14C17 A3B3C3D8E14F17 -559.27 7.53 -9.34 -2.78 0
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2063 5696 1 N3S3H11O14C17 A3B3C11D14E17 -338.15 3.96 -10.76 -2.72 0
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2064 5698 1 PN4O9C10H14 AB4C9D10E14 -410.75 5.87 0.0 0.0 1
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2065 5700 1 O5C26H44 A5B26C44 -180.02 3.2 -9.02 -0.06 0