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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174788 75814241 2 O3C10H10 A3B10C10 -183.59 7.12 -8.88 -0.6 0
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174789 75814409 1 ClN2O3H19C22 AB2C3D19E22 -71.96 3.46 -8.8 -1.37 1
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174790 75814422 1 ON4C18H25 AB4C18D25 29.65 2.09 0.0 0.0 0
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174791 75814423 1 ON4C18H24 AB4C18D24 16.67 2.83 -8.37 0.06 0
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174792 75814516 1 ClO2N5C13H14 AB2C5D13E14 20.21 9.37 -9.02 -0.34 0
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174793 75814930 1 N2O6C19H26 A2B6C19D26 -238.63 2.68 -8.5 -0.24 0
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174794 75815722 1 NS2O3C18H21 AB2C3D18E21 -93.71 8.77 -9.24 -0.69 -1
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174795 75816069 1 SO3N5C20H24 AB3C5D20E24 -44.87 7.07 0.0 0.0 0
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174796 75816070 1 SO3N5C20H25 AB3C5D20E25 -99.43 5.13 -9.27 -0.85 0
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174797 75816071 1 SO3N5C20H23 AB3C5D20E23 -96.62 8.66 -9.36 -0.94 0
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174798 75816874 1 N2O3C17H26 A2B3C17D26 -139.57 5.29 -8.81 0.63 0
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174799 75817021 1 N2O3C22H24 A2B3C22D24 -61.32 4.25 -8.71 0.02 0
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174800 75817265 1 ClN3O3H16C18 AB3C3D16E18 -31.72 2.24 -9.88 -2.13 0
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174801 75817268 1 N4O4H14C19 A4B4C14D19 24.09 6.0 -9.11 -2.36 0
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174802 75817269 1 O3N5C15H17 A3B5C15D17 -28.05 4.81 -9.71 -1.12 0
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174803 75817270 1 SN3O4H13C15 AB3C4D13E15 -51.48 5.1 -9.04 -2.14 0
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174804 75817292 2 N2O2C11H16 A2B2C11D16 -171.88 4.63 -8.96 -0.01 0
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174805 75817427 1 F3N3O4C17H20 A3B3C4D17E20 -296.76 7.6 -9.28 -0.68 2
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174806 75817548 1 O2N5C21H31 A2B5C21D31 18.01 16.36 -4.82 -0.68 0
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174807 75817549 1 O2N5C21H29 A2B5C21D29 -30.19 4.47 -8.44 -0.22 0
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174808 75817550 2 NO2C9H12 AB2C9D12 -123.56 4.93 -8.95 0.08 0
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174809 75817959 1 ClSN2O6H13C14 ABC2D6E13F14 -185.13 2.92 -9.32 -1.64 1
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174810 75818806 1 SO3N4C20H29 AB3C4D20E29 -66.84 2.33 0.0 0.0 0
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174811 75818807 1 SO3N4C20H28 AB3C4D20E28 -84.37 10.11 -9.3 -0.09 0
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174812 75818808 1 NOC18H23 ABC18D23 -14.43 2.24 -8.8 0.26 1
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174813 75819204 1 ON5C18H32 AB5C18D32 18.86 3.34 0.0 0.0 0
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174814 75819409 1 ClN3O4C20H22 AB3C4D20E22 -148.84 4.98 -8.83 -0.36 0
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174815 75819410 1 ClN3O4C20H22 AB3C4D20E22 -149.22 3.43 -8.86 -0.43 1
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174816 75819411 1 SN4O4C20H27 AB4C4D20E27 -108.23 4.11 0.0 0.0 0
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174817 75819412 1 SN4O4C20H26 AB4C4D20E26 -124.83 5.96 -8.92 -0.16 0
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174818 75819413 1 N3O4C22H27 A3B4C22D27 -156.69 5.99 -8.82 -0.09 0
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174819 75819414 1 FN3O5C21H24 AB3C5D21E24 -223.28 7.3 -8.79 -0.31 1
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174820 75819527 1 ON4C20H25 AB4C20D25 30.71 9.87 0.0 0.0 0
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174821 75819601 1 SO2N5C12H13 AB2C5D12E13 42.0 3.5 -9.08 -0.91 1
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174822 75819698 1 SO2N5C19H28 AB2C5D19E28 -1.88 2.72 0.0 0.0 1
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174823 75819699 1 SO2N4C18H25 AB2C4D18E25 -27.39 3.07 0.0 0.0 0
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174824 75819700 1 SO2N4C18H24 AB2C4D18E24 -34.73 2.74 -8.64 -0.27 1
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174825 75820030 1 SN3O4C18H22 AB3C4D18E22 -34.11 11.19 0.0 0.0 1
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174826 75820031 1 O2N3C18H24 A2B3C18D24 -16.29 5.32 0.0 0.0 1
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174827 75820059 1 ClO2N3C22H27 AB2C3D22E27 -24.35 8.68 0.0 0.0 1
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174828 75820060 1 O3N4C20H29 A3B4C20D29 -78.31 2.13 0.0 0.0 0
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174829 75820267 1 O2N3C20H25 A2B3C20D25 -81.9 5.33 -8.36 -0.02 1
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174830 75820307 1 ClNS2C13H15 ABC2D13E15 68.3 6.85 0.0 0.0 1
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174831 75820308 1 N2O2C21H33 A2B2C21D33 -70.85 4.8 0.0 0.0 1
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174832 75820309 1 ON2C21H33 AB2C21D33 -37.15 3.88 0.0 0.0 0
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174833 75820310 1 N3O3C20H25 A3B3C20D25 -111.32 6.99 -8.3 -0.2 1
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174834 75820311 1 N2O2C20H31 A2B2C20D31 -69.41 2.45 0.0 0.0 1
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174835 75820312 1 O3N5C20H28 A3B5C20D28 -61.17 5.89 0.0 0.0 1
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174836 75820313 1 BrON2C19H28 ABC2D19E28 -24.65 5.31 0.0 0.0 1
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174837 75820323 1 O3N4C18H23 A3B4C18D23 -60.23 3.45 0.0 0.0 1