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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390905 135001521 1 SO2C10H12 AB2C10D12 -58.67 1.97 -9.6 -1.07 0
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390906 135001538 2 OH8C9 AB8C9 -17.17 5.5 -9.04 -0.83 0
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390907 135001539 1 O3C16H18 A3B16C18 -98.83 2.09 -9.3 0.25 0
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390908 135001540 2 N2H8C9 A2B8C9 108.25 1.43 -8.66 -0.5 0
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390909 135001550 1 ClNO2H10C11 ABC2D10E11 -21.74 1.69 -9.46 -0.73 0
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390910 135001551 1 NOBr3C4H8 ABC3D4E8 -114.28 7.34 -9.78 -1.64 0
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390914 135001558 1 NSO9C25H39 ABC9D25E39 -420.62 7.94 -9.76 -0.1 0
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390915 135001559 1 SF2N3O7C28H33 AB2C3D7E28F33 -325.24 6.26 -9.44 -1.38 0
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390916 135001561 1 ON5C9H17 AB5C9D17 9.69 3.51 -9.48 -0.01 0
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390917 135001562 1 NO2C9H15 AB2C9D15 -32.06 5.01 -9.52 0.91 1
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390918 135001563 1 OPRuCl2C29H48 ABCD2E29F48 1.64 24.98 0.0 0.0 0
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390919 135001569 1 O2F3C14H15 A2B3C14D15 -227.07 4.08 -10.33 -0.8 0
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390920 135001571 1 ON2H18C19 AB2C18D19 34.94 0.82 -8.22 -0.31 0
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390921 135001578 1 NO2C12H13 AB2C12D13 -45.73 2.76 -9.07 0.11 0
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390922 135001587 1 ClSO3H5C7 ABC3D5E7 -97.06 5.72 -9.78 -1.09 0
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390923 135001597 1 NC2O2H3 AB2C2D3 21.47 4.5 -8.8 -1.05 0
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390924 135001599 1 ClN4O7C21H21 AB4C7D21E21 -202.62 4.04 -9.26 -0.96 0
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390925 135001601 1 OH16C17 AB16C17 10.97 4.19 -9.49 -0.51 0
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390926 135001603 1 NF2O2C12H13 AB2C2D12E13 -139.79 6.49 -9.12 -0.58 0
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390927 135001619 1 SN2H16C19 AB2C16D19 101.22 2.33 -8.49 -0.67 0
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390929 135001647 1 PO3H13C14 AB3C13D14 -122.39 5.14 -9.38 -0.71 0
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390930 135001648 1 PO5C13H17 AB5C13D17 -257.1 3.1 -10.08 -1.06 0
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390931 135001651 1 FO2H15C16 AB2C15D16 -70.51 5.67 -8.25 -0.37 0
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390932 135001654 3 NC5H5 AB5C5 81.27 2.75 -8.13 -0.24 -4
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390933 135001666 1 Cl2S2F3P3N5O11C18H23 A2B2C3D3E5F11G18H23 -741.64 3.82 -8.85 -1.45 0
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390934 135001667 1 Cl2S2F3P3N5O11C18H27 A2B2C3D3E5F11G18H27 -776.19 6.96 -8.7 -0.58 0
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390935 135001668 1 N2F3O7C31H37 A2B3C7D31E37 -417.26 3.28 -9.64 -0.3 0
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390936 135001669 1 PCl2N11O27C80H106 AB2C11D27E80F106 -1008.68 11.96 -7.66 -1.57 0
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390937 135001670 1 NO7H21C22 AB7C21D22 -243.2 9.65 -9.35 -0.79 0
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390938 135001677 1 O3C16H22 A3B16C22 -136.23 4.82 -9.25 -0.18 0
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390939 135001682 1 NO2C15H17 AB2C15D17 -50.34 2.85 -9.42 -0.77 0
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390941 135001695 1 NSO4C21H25 ABC4D21E25 -135.69 6.92 -8.98 -0.53 0
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390943 135001704 1 N7O11C34H63 A7B11C34D63 -605.8 2.8 -9.69 0.18 0
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390944 135001708 1 O3C12H14 A3B12C14 -101.99 0.77 -10.11 -0.77 0
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390945 135001712 1 OC12H14 AB12C14 -16.69 1.7 -8.98 0.26 0
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390946 135001715 1 NO2C13H19 AB2C13D19 -45.44 4.08 -8.48 0.18 0
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390947 135001723 1 SN4O8C21H36 AB4C8D21E36 -346.72 4.21 -8.9 -0.5 0
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390948 135001732 1 O2C19H22 A2B19C22 -49.89 3.75 -8.25 0.14 0
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390949 135001736 1 N2O4H14C15 A2B4C14D15 -79.72 3.27 -9.88 -1.11 0
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390950 135001740 1 O4C13H14 A4B13C14 -143.05 2.88 -9.62 -0.7 0
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390951 135001742 1 NO3C13H15 AB3C13D15 -106.73 4.34 -9.35 -0.92 0
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390952 135001754 1 OC17H32 AB17C32 -86.68 1.57 -9.29 0.21 0
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390953 135001785 1 NO10C24H27 AB10C24D27 -378.55 6.12 -9.63 -0.83 0
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390954 135001794 2 OC6H7 AB6C7 -51.01 2.6 -8.82 0.22 0
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390955 135001800 1 N7O16C58H75 A7B16C58D75 -657.26 6.42 -8.45 -0.47 -1
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390956 135001801 1 SO4N5C25H26 AB4C5D25E26 -6.94 3.89 0.0 0.0 0
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390957 135001802 1 ClNSO5C17H18 ABCD5E17F18 -185.88 3.72 -9.96 -1.14 0
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390958 135001827 1 FOC11H11 ABC11D11 -52.29 2.97 -9.39 -0.08 0
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390959 135001835 1 NC17H19 AB17C19 44.15 2.32 -9.24 -0.61 0
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390960 135001836 1 O2C19H20 A2B19C20 -31.43 1.79 -9.31 0.18 0
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390962 135001848 1 SN3O7C47H49 AB3C7D47E49 -201.65 5.21 -8.94 -0.49 0
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390963 135001864 1 O4C13H16 A4B13C16 -131.73 3.85 -8.92 0.08 0
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390964 135001902 1 O4C13H16 A4B13C16 -134.88 3.48 -8.55 0.01 0
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390965 135001903 1 SO3C35H36 AB3C35D36 -27.14 2.22 -8.68 -0.15 0
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390966 135001904 1 NO2C7H13 AB2C7D13 -83.37 1.02 -9.92 0.08 0
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390967 135001914 1 O2F3C14H15 A2B3C14D15 -234.72 3.68 -10.28 -0.75 0
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390968 135001917 1 O11C24H30 A11B24C30 -450.01 1.67 -8.63 0.19 0
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390969 135001920 1 PO2H17C18 AB2C17D18 -51.48 7.74 -9.88 -0.63 0
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390970 135001926 1 OC35H60 AB35C60 -138.43 2.08 -8.89 0.81 0
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390971 135001930 1 SN4O9C38H42 AB4C9D38E42 -265.74 2.65 -9.2 -0.95 0
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390972 135001938 1 O3C12H14 A3B12C14 -103.41 2.06 -9.68 -0.4 0
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390973 135001947 1 SN2O2H14C16 AB2C2D14E16 19.9 6.74 -9.22 -0.74 0
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390974 135001954 3 OC6H8 AB6C8 -109.28 2.24 -8.75 0.18 0
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390975 135001956 1 NO2C23H23 AB2C23D23 -22.0 4.42 -8.52 0.04 0
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390976 135001958 1 NOF2H7C11 ABC2D7E11 -41.88 4.86 -9.24 -1.12 0
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390977 135001968 1 N3O7C22H33 A3B7C22D33 -329.91 1.08 -9.59 -0.11 0
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390978 135001969 1 N3O5C14H27 A3B5C14D27 -265.04 3.98 -9.73 0.24 0
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390979 135001970 1 SN12O18C56H100 AB12C18D56E100 -976.96 7.08 -8.72 0.09 0
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390980 135001972 1 SN5O9C35H47 AB5C9D35E47 -403.44 3.53 -8.74 -0.29 0
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390981 135001981 1 F4N4O7H36C37 A4B4C7D36E37 -375.69 11.98 -8.35 -0.99 0
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390982 135001990 1 NO2C29H29 AB2C29D29 23.48 0.83 -8.18 -0.34 0
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390983 135001991 1 ClPN2S2O4C13H14 ABC2D2E4F13G14 -106.6 6.95 -9.24 -1.74 0
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390984 135002037 1 N2O7C23H26 A2B7C23D26 -265.89 2.27 -9.55 -0.41 0
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390985 135002054 1 N4O5C17H22 A4B5C17D22 -148.77 2.07 -9.79 -0.28 0
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390986 135002057 2 O2C9H11 A2B9C11 -134.52 1.1 -9.26 -0.23 0