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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85927 49880302 1 ClN3C12H19 AB3C12D19 23.04 1.31 0.0 0.0 -1
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85928 49880305 1 ClN3C14H17 AB3C14D17 57.65 0.79 0.0 0.0 -1
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85929 49880310 1 ClON3C15H19 ABC3D15E19 24.57 2.03 0.0 0.0 -1
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85930 49880323 1 Cl2N2O3H11C16 A2B2C3D11E16 -62.02 3.98 0.0 0.0 -1
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85931 49880326 1 Cl2N2O3C13H13 A2B2C3D13E13 -95.37 1.11 0.0 0.0 -1
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85932 49880330 1 Cl2N2O3H15C18 A2B2C3D15E18 -69.4 6.87 0.0 0.0 -1
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85933 49880332 1 Cl2N2O4H17C19 A2B2C4D17E19 -114.01 5.24 0.0 0.0 -1
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85934 49880334 1 Cl2O3N4H19C22 A2B3C4D19E22 24.61 2.86 0.0 0.0 -1
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85935 49880337 1 ClO2N3H13C16 AB2C3D13E16 11.05 5.05 0.0 0.0 -1
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85936 49880339 1 ClN2O4C17H18 AB2C4D17E18 -91.28 3.29 0.0 0.0 -2
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85937 49880340 1 Cl2N3C8H13 A2B3C8D13 186.66 3.35 -8.44 -7.73 -1
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85938 49880342 1 ClN2F3O3H13C18 AB2C3D3E13F18 -182.96 9.14 0.0 0.0 -1
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85939 49880343 1 ClN2F3O3H11C17 AB2C3D3E11F17 -220.52 9.23 0.0 0.0 -1
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85940 49880345 1 ClF3N3O3H18C21 AB3C3D3E18F21 -184.06 8.75 0.0 0.0 -1
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85941 49880346 1 ClO2F3N3H22C23 AB2C3D3E22F23 -198.34 10.64 0.0 0.0 -1
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85942 49880365 1 ClSN2C11H14 ABC2D11E14 63.63 1.72 0.0 0.0 -1
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85943 49880372 1 IN2C16H16 AB2C16D16 64.54 4.58 0.0 0.0 -1
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85944 49880389 1 ClO2N3C13H15 AB2C3D13E15 7.44 6.12 0.0 0.0 -1
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85945 49880405 1 ClON3C19H19 ABC3D19E19 64.36 5.62 0.0 0.0 -1
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85946 49880434 1 ClN4C16H22 AB4C16D22 63.86 2.2 0.0 0.0 -1
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85947 49880466 1 ClF3N3O3H14C17 AB3C3D3E14F17 -164.52 5.77 0.0 0.0 -1
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85948 49880476 1 ClO2N5H15C17 AB2C5D15E17 73.24 4.84 0.0 0.0 0
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85949 49880511 1 S2N5O5C27H27 A2B5C5D27E27 -78.05 5.22 -9.02 -1.43 0
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85950 49880514 1 SO3N4C22H24 AB3C4D22E24 -29.27 4.41 -8.99 -0.94 0
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85951 49880515 1 SO3N4H24C27 AB3C4D24E27 13.41 2.22 -8.83 -0.78 0
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85952 49880520 1 FSO2N3H18C19 ABC2D3E18F19 -27.0 4.69 -8.79 -0.56 0
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85953 49880554 1 SN4O5C22H22 AB4C5D22E22 -103.66 5.72 -9.06 -0.94 0
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85954 49880606 1 SN3O4C23H25 AB3C4D23E25 -82.28 3.11 -8.92 -0.89 0
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85955 49880627 1 SO2N4H18C20 AB2C4D18E20 52.1 5.61 -8.89 -0.93 0
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85956 49880637 1 SN3O4H19C24 AB3C4D19E24 -28.26 6.37 -8.81 -1.1 0
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85957 49880641 1 S2O3N5H23C28 A2B3C5D23E28 55.39 6.41 -8.81 -1.07 0
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85958 49880643 1 S2O3N6C25H26 A2B3C6D25E26 24.4 1.5 -8.86 -1.02 0
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85959 49880644 1 ClSO2N3H18C19 ABC2D3E18F19 9.2 4.76 -9.05 -0.62 0
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85960 49880646 1 SN4O4C21H22 AB4C4D21E22 -65.86 6.48 -8.52 -0.65 0
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85961 49880670 1 SO2N3C19H19 AB2C3D19E19 19.22 4.14 -8.78 -0.27 0
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85962 49880677 1 SN4O5H20C21 AB4C5D20E21 -110.22 7.54 -9.14 -1.04 0
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85963 49880680 1 SN3O4C22H23 AB3C4D22E23 -68.59 6.89 -8.9 -0.82 0
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85964 49880684 1 SO4N5H23C26 AB4C5D23E26 -29.65 2.9 -8.51 -0.66 0
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85965 49880687 1 SO3N4C28H28 AB3C4D28E28 -13.85 7.21 -8.8 -0.89 0
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85966 49880692 1 SO3N4C21H22 AB3C4D21E22 -31.84 3.35 -8.71 -0.81 0
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85967 49880695 1 S2N4O7C23H24 A2B4C7D23E24 -206.7 2.57 -8.93 -1.28 0
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85968 49880709 1 ClSN4O4H21C25 ABC4D4E21F25 -28.43 3.31 -8.83 -0.8 0
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85969 49880710 1 SO4N5H27C28 AB4C5D27E28 -39.11 10.84 -8.27 -0.77 0
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85970 49880716 1 FSO3N4H19C20 ABC3D4E19F20 -64.45 4.33 -8.99 -0.73 0
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85971 49880719 1 SN3O4C19H25 AB3C4D19E25 -115.53 2.78 -8.92 -0.51 0
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85972 49880723 1 SN3O4C21H23 AB3C4D21E23 -59.19 6.25 -8.1 -0.29 0
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85973 49880724 1 SN3O3C23H27 AB3C3D23E27 -36.7 3.39 -8.64 -0.3 0
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85974 49880735 1 SO3N7H19C23 AB3C7D19E23 74.5 8.08 -9.09 -1.42 0
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85975 49880736 1 S2O3N5H19C25 A2B3C5D19E25 49.93 5.52 -8.9 -1.07 0
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85976 49880738 1 SO3N4C28H28 AB3C4D28E28 -8.37 2.66 -8.81 -0.66 0
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85977 49880739 1 S2O3N5H25C27 A2B3C5D25E27 19.84 7.26 -8.88 -1.16 0
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85978 49880794 1 SO3N4C22H24 AB3C4D22E24 -25.93 5.83 -8.78 -0.5 0
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85979 49880795 1 S2O4N5C20H21 A2B4C5D20E21 -62.59 2.99 -8.91 -1.43 0
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85980 49880796 1 S2N5O5C22H25 A2B5C5D22E25 -121.5 4.58 -9.02 -1.28 0
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85981 49880798 1 SO3N4H24C26 AB3C4D24E26 11.68 3.47 -8.89 -0.44 0
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85982 49880799 1 SO3N4C18H22 AB3C4D18E22 -51.56 1.65 -8.69 -0.13 0
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85983 49880810 1 SO3N4C22H24 AB3C4D22E24 -20.11 4.92 -8.97 -1.09 0
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85984 49880824 1 SN3O3C21H23 AB3C3D21E23 -29.49 4.37 -8.76 -0.31 0
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85985 49880828 1 S2O3N5C21H25 A2B3C5D21E25 -32.35 3.36 -8.79 -0.77 0
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85986 49880829 1 SN4O5C23H26 AB4C5D23E26 -104.05 6.25 -8.35 -0.53 0
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85987 49880833 1 SN3O3H23C25 AB3C3D23E25 15.59 4.75 -8.87 -0.81 0
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85988 49880839 1 SN4O5H26C27 AB4C5D26E27 -68.99 4.02 -8.38 -0.76 0
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85989 49880840 1 ClSO3N4H23C26 ABC3D4E23F26 -4.09 3.6 -8.94 -1.05 0
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85990 49880845 1 SO3N4C21H22 AB3C4D21E22 -24.7 5.68 -8.76 -0.4 0
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85991 49880858 1 SO4N5C23H25 AB4C5D23E25 -80.64 6.74 -8.59 -0.57 0
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85992 49880865 1 S2O3N5H21C23 A2B3C5D21E23 20.51 9.17 -8.64 -1.42 0
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85993 49880867 1 SN4O4H22C25 AB4C4D22E25 -32.94 6.7 -8.91 -0.95 0
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85994 49880870 1 SO2N3C14H17 AB2C3D14E17 -11.72 4.04 -8.8 -0.08 0
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85995 49880880 1 SN3O3C22H25 AB3C3D22E25 -31.54 3.96 -8.6 -0.16 0
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85996 49880883 1 SO3N4C24H28 AB3C4D24E28 -52.05 4.61 -8.32 -0.76 0
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85997 49880884 1 ClSO3N4C22H23 ABC3D4E22F23 -43.03 4.52 -8.88 -0.68 0
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85998 49880924 1 ClSO3N4C23H23 ABC3D4E23F23 -19.69 6.11 -8.8 -0.79 0
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85999 49880929 1 SO3N4H20C24 AB3C4D20E24 16.79 4.93 -8.79 -1.02 0
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86000 49880935 1 SN4O5H26C28 AB4C5D26E28 -74.56 9.58 -9.2 -1.02 0
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86001 49880943 1 SCl2O2N3H17C23 AB2C2D3E17F23 43.23 4.74 -8.93 -0.94 0
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86002 49880956 1 SN4O5C24H24 AB4C5D24E24 -97.01 7.79 -9.03 -0.85 0
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86003 49880963 1 S2O3N6C22H26 A2B3C6D22E26 12.06 7.27 -9.11 -0.96 0
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86004 49880966 1 ClSO2N3H18C23 ABC2D3E18F23 50.95 6.55 -8.84 -0.91 0
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86005 49880968 1 SO3N4C24H26 AB3C4D24E26 -32.19 2.06 -8.91 -0.92 0
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86006 49880971 1 S2N4O5C24H26 A2B4C5D24E26 -108.85 3.41 -8.71 -0.78 0
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86007 49880974 1 SO3N4H28C32 AB3C4D28E32 44.8 2.18 -8.8 -0.4 0
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86008 49880988 1 SO3N4C22H24 AB3C4D22E24 -5.07 5.82 -8.87 -0.83 0
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86009 49880992 1 S2N5O5C24H27 A2B5C5D24E27 -84.27 11.41 -9.18 -1.09 0
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86010 49880997 1 SCl3O3N4H17C24 AB3C3D4E17F24 -1.74 5.44 -9.0 -1.12 0
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86011 49881004 1 SN4O4H24C30 AB4C4D24E30 18.28 5.8 -8.71 -1.1 0
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86012 49881011 1 SCl2O3N4H18C20 AB2C3D4E18F20 -41.33 5.88 -9.1 -0.94 0
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86013 49881012 1 SN4O4C22H24 AB4C4D22E24 -62.45 8.66 -8.81 -0.67 0
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86014 49881014 1 SN4O5C21H22 AB4C5D21E22 -86.08 7.37 -8.36 -0.75 0
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86015 49881017 1 SO2N4C13H16 AB2C4D13E16 5.41 5.05 -8.95 -0.26 0
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86016 49881018 1 SN3O3H21C23 AB3C3D21E23 8.83 3.92 -8.42 -0.41 0
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86017 49881022 1 ClSN3O4H18C20 ABC3D4E18F20 -61.47 3.9 -8.89 -0.8 0
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86018 49881029 1 S2N4O5C23H24 A2B4C5D23E24 -109.79 4.54 -8.85 -0.89 0
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86019 49881052 1 SN3O5C19H19 AB3C5D19E19 -92.85 3.37 -9.0 -0.78 0
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86020 49881054 1 ClSN4O4C21H21 ABC4D4E21F21 -67.36 2.56 -8.51 -0.87 0
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86021 49881063 1 ClSO3N4C21H21 ABC3D4E21F21 -36.54 4.13 -8.92 -0.58 0
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86022 49881064 1 SN4O4C21H24 AB4C4D21E24 -68.9 4.08 -8.94 -0.75 0
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86023 49881073 1 SN4O5H20C22 AB4C5D20E22 4.47 6.54 -8.98 -1.84 0
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86024 49881074 1 SO3N4C26H30 AB3C4D26E30 -28.18 7.26 -9.01 -0.84 0
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86025 49881124 1 SN4O5C25H28 AB4C5D25E28 -126.17 6.38 -9.09 -1.08 0
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86026 49881126 1 S2N5O6C25H29 A2B5C6D25E29 -141.98 7.46 -9.17 -1.13 0