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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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172780 75551787 1 ClFSO2N5H17C20 ABCD2E5F17G20 -25.78 6.0 -9.1 -1.01 0
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172781 75551788 1 SO2N4H20C21 AB2C4D20E21 26.71 3.46 -8.53 -0.59 0
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172782 75551789 1 FSO2N4H19C21 ABC2D4E19F21 -20.51 2.93 -8.62 -0.95 0
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172783 75551847 1 ClSO2N4H17C19 ABC2D4E17F19 28.09 6.62 -8.53 -0.66 0
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172784 75552112 1 ClSO3N5C24H26 ABC3D5E24F26 -38.24 9.74 -8.72 -0.69 0
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172785 75552491 1 N4O4C25H30 A4B4C25D30 -142.0 6.47 -8.55 -0.22 1
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172786 75552492 1 FN3O5H19C22 AB3C5D19E22 -156.3 2.25 0.0 0.0 0
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172787 75552716 1 ClSO3N4C23H25 ABC3D4E23F25 -106.89 5.42 -8.82 -0.85 1
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172788 75553303 1 SN3O3H20C21 AB3C3D20E21 -38.84 3.71 0.0 0.0 1
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172789 75553304 1 N3O3H20C25 A3B3C20D25 -6.46 3.77 0.0 0.0 0
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172790 75553305 1 N3O3H17C21 A3B3C17D21 -8.83 11.26 -9.42 -2.43 0
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172791 75553306 1 N3O3H17C21 A3B3C17D21 -7.89 11.96 -9.41 -2.42 1
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172792 75553307 1 N3O3H20C22 A3B3C20D22 -31.9 6.15 0.0 0.0 1
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172793 75553308 1 N3O3H22C23 A3B3C22D23 -39.99 6.37 0.0 0.0 0
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172794 75553309 1 N3O4H17C21 A3B4C17D21 -39.0 10.79 -9.39 -2.38 2
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172795 75553534 1 O3N4C24H24 A3B4C24D24 -42.4 7.5 -8.7 -0.79 0
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172796 75553860 1 ClO2N5C23H32 AB2C5D23E32 -58.87 4.1 -8.8 -0.18 0
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172797 75553917 1 ClO3N6C25H35 AB3C6D25E35 -105.14 2.25 -8.99 -0.36 0
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172798 75553989 1 ClO2N5C23H32 AB2C5D23E32 -65.55 6.48 -9.07 -0.35 0
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172799 75554064 1 F2O2N5C24H27 A2B2C5D24E27 -104.69 7.62 -9.11 -0.4 1
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172800 75554571 1 SN4O5C24H29 AB4C5D24E29 -161.24 6.7 0.0 0.0 0
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172801 75554604 1 FO4N6C24H31 AB4C6D24E31 -140.96 5.89 -8.75 -0.62 0
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172802 75555239 1 SF2O2N5C22H29 AB2C2D5E22F29 -150.6 5.97 -9.4 -1.04 0
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172803 75555240 2 FOSN3H5C9 ABCD3E5F9 61.74 1.05 -9.42 -2.01 0
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172804 75555453 1 SO2N3C14H25 AB2C3D14E25 -116.53 9.01 -9.04 0.1 0
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172805 75555598 1 SO3N4C27H32 AB3C4D27E32 -68.58 6.88 -8.54 -0.16 0
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172806 75555599 1 SO2N5C24H35 AB2C5D24E35 -59.34 7.78 -8.54 -0.16 0
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172807 75555600 1 SO2N5C26H39 AB2C5D26E39 -61.57 10.24 -8.57 0.03 0
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172808 75555601 1 BrOSN3H20C21 ABCD3E20F21 41.95 4.75 -8.87 -0.66 0
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172809 75555715 1 O2N4H14C17 A2B4C14D17 34.82 11.32 -8.6 -1.55 0
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172810 75555738 1 FOSN2H9C14 ABCD2E9F14 28.41 1.32 -9.36 -1.24 0
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172811 75555854 1 N3O4C13H17 A3B4C13D17 -146.47 2.0 -9.45 -0.45 0
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172812 75555855 1 N3O4C13H17 A3B4C13D17 -145.79 3.57 -9.44 -0.35 0
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172813 75555856 1 N2O6C21H22 A2B6C21D22 -198.8 7.17 -9.22 -1.07 0
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172814 75555857 1 N3O4H19C20 A3B4C19D20 -84.02 2.44 -9.1 -1.05 0
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172815 75556015 1 N2O4C13H16 A2B4C13D16 -136.36 7.83 -9.21 -0.34 0
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172816 75556729 1 SN2O3H16C18 AB2C3D16E18 -36.83 4.56 -8.3 -0.68 0
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172817 75556730 1 OS2N4C16H20 AB2C4D16E20 30.74 7.35 -8.67 -0.94 0
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172818 75556731 1 SN3O3H11C18 AB3C3D11E18 37.68 4.26 -9.08 -1.74 0
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172819 75556732 1 SO2N3H15C19 AB2C3D15E19 52.76 6.52 -8.94 -1.48 0
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172820 75556733 1 SO2N3H15C19 AB2C3D15E19 55.09 4.64 -9.2 -1.41 0
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172821 75556734 2 OSN2C7H8 ABC2D7E8 11.83 4.29 -8.66 -1.0 0
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172822 75556873 1 SN3O3H23C27 AB3C3D23E27 35.27 5.59 -8.69 -1.54 0
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172823 75556952 1 ION3H12C13 ABC3D12E13 65.7 5.97 -8.46 -1.13 0
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172824 75557124 1 ClFSN2O2H12C16 ABCD2E2F12G16 -73.7 7.01 -8.7 -0.91 0
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172825 75557342 1 OSN5C16H21 ABC5D16E21 27.7 3.77 -8.21 -0.55 0
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172826 75558185 1 ClON3H14C20 ABC3D14E20 74.28 6.7 -8.91 -1.3 0
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172827 75558950 1 ClOSN3H14C16 ABCD3E14F16 36.95 4.11 -8.5 -1.16 0
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172828 75558959 1 ON3C17H17 AB3C17D17 34.77 7.87 -8.79 -0.99 0
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172829 75558960 1 ClOSN3H14C16 ABCD3E14F16 36.91 4.74 -8.49 -1.15 0