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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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296890 117599227 1 SN7O10C43H55 AB7C10D43E55 -327.73 7.67 -8.98 -0.61 0
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296892 117599398 1 ClN2C17H21 AB2C17D21 23.04 5.59 -8.04 0.25 0
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296893 117599598 1 O2S3C5H12 A2B3C5D12 -99.43 1.56 -9.26 -0.42 0
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296894 117599838 1 F2O2N3C17H19 A2B2C3D17E19 -113.93 3.7 -9.76 -0.32 0
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296895 117599848 1 O2N4C25H30 A2B4C25D30 -25.14 5.49 -9.26 -0.38 1
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296896 117599950 1 N5C12H16 A5B12C16 121.97 6.83 0.0 0.0 0
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296897 117600023 2 PO2H24C25 AB2C24D25 -50.75 4.81 -8.23 -0.4 0
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296898 117600078 1 S2N4F5O7H33C37 A2B4C5D7E33F37 -369.04 4.58 -8.9 -1.06 0
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296899 117600095 1 FNO4C18H24 ABC4D18E24 -234.75 3.58 -9.64 -0.26 0
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296900 117600135 1 ClF2S2N4O7C35H39 AB2C2D4E7F35G39 -312.37 12.07 -8.58 -1.26 0
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296901 117600148 1 BrN2C14H15 AB2C14D15 51.97 4.63 -8.54 0.01 0
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296902 117600167 2 O2C7H9 A2B7C9 -131.18 1.64 -8.85 0.2 0
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296903 117600276 1 O3C9H16 A3B9C16 -159.26 3.51 -10.32 0.21 0
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296904 117600278 1 BrFN2O3H10C12 ABC2D3E10F12 -109.92 4.8 -10.32 -1.07 0
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296905 117600282 1 NO2H13C16 AB2C13D16 14.36 3.59 -9.78 -1.17 0
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296906 117600287 1 S2F3N4O7C34H37 A2B3C4D7E34F37 -339.66 4.72 -8.94 -1.05 0
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296907 117600379 1 O2N5H15C18 A2B5C15D18 43.88 6.07 -9.27 -1.37 0
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296908 117600383 1 O3N6C23H28 A3B6C23D28 -27.72 3.95 -8.8 -1.21 0
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296909 117600408 2 O2C10H11 A2B10C11 -107.24 2.72 -8.98 0.0 0
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296910 117600467 1 FO2N6H21C22 AB2C6D21E22 6.37 5.16 -8.9 -1.38 0
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296911 117600502 1 O2N6C23H24 A2B6C23D24 47.41 6.6 -9.01 -1.22 0
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296912 117600507 1 BrN2O2F3H6C11 AB2C2D3E6F11 -150.99 3.53 -10.38 -1.94 0
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296913 117600508 1 BrNO3C17H24 ABC3D17E24 -146.75 5.61 -9.27 0.0 0
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296914 117600509 1 NO2H13C16 AB2C13D16 14.39 1.85 -9.79 -1.1 0
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296915 117600511 1 S2N4F5O7C34H35 A2B4C5D7E34F35 -427.51 9.43 -8.69 -1.17 0
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296916 117600519 1 N2S2F3O5H11C13 A2B2C3D5E11F13 -302.5 9.07 -10.02 -1.7 0
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296917 117600530 1 ClNO4C19H26 ABC4D19E26 -205.04 1.92 -9.52 -0.28 0
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296918 117600628 1 FO2N6C25H27 AB2C6D25E27 -9.5 12.75 -8.8 -1.25 0
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296919 117600860 1 ClN3H22C28 AB3C22D28 162.97 3.61 -9.01 -0.76 0
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296920 117601021 1 O4C23H26 A4B23C26 -112.35 3.17 -8.84 0.11 0
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296921 117601059 1 O3N5C24H25 A3B5C24D25 -16.17 6.93 -9.28 -1.41 0
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296922 117601226 1 N2O2C13H24 A2B2C13D24 -91.12 3.21 -9.01 0.98 0
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296923 117601230 1 O3N5H19C20 A3B5C19D20 -11.54 7.35 -9.1 -1.33 0
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296924 117601258 1 NOF3H10C15 ABC3D10E15 -151.1 1.63 -9.03 -0.88 0
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296925 117601260 1 O4N5C20H23 A4B5C20D23 -67.77 1.72 -9.16 -1.12 0
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296926 117601264 1 O2N5H21C22 A2B5C21D22 47.27 3.98 -9.1 -1.34 0
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296927 117601395 1 O4C21H24 A4B21C24 -116.74 2.22 -8.82 0.12 0
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296928 117601408 1 O2N6C25H28 A2B6C25D28 23.87 7.28 -8.89 -1.27 0
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296929 117601438 1 O2N5H19C21 A2B5C19D21 55.51 11.18 -9.3 -1.44 0
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296930 117601598 1 O2N3H25C26 A2B3C25D26 12.57 6.0 -8.95 -0.99 0
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296931 117601697 1 ClFN4O5H34C35 ABC4D5E34F35 -152.93 11.1 -8.93 -1.08 0
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296932 117601712 1 FO3N7H40C41 AB3C7D40E41 -17.34 6.27 -8.94 -0.83 0
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296933 117601808 1 N3O3C19H19 A3B3C19D19 -63.92 7.11 -9.46 -0.87 0
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296934 117601928 1 Cl2N2C9H22 A2B2C9D22 -101.74 6.71 -8.95 1.66 0
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296935 117602005 1 N2O2C11H24 A2B2C11D24 -134.07 5.61 -10.17 0.8 0
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296936 117602006 2 ON2C11H11 AB2C11D11 14.83 1.48 -8.5 -0.97 0
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296937 117602015 1 ClFN3O7H27C30 ABC3D7E27F30 -218.62 9.74 -9.27 -1.13 0
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296938 117602022 1 ClF2O4N5H18C26 AB2C4D5E18F26 -125.19 7.67 -9.4 -1.69 0
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296939 117602023 1 N4O5C25H26 A4B5C25D26 -87.6 5.7 -8.95 -0.8 0
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296940 117602028 2 ON2C13H14 AB2C13D14 33.05 11.87 -9.05 -0.7 0
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296941 117602032 1 ClFO5N6H22C29 ABC5D6E22F29 -81.68 5.36 -9.68 -1.36 0
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296942 117602033 1 NOC13H21 ABC13D21 -51.42 4.46 -9.73 1.27 0
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296943 117602034 1 ClO4N5H32C34 AB4C5D32E34 -63.6 11.42 -8.7 -1.32 0
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296944 117602036 1 O2N4H24C27 A2B4C24D27 67.16 5.75 -9.32 -1.02 0
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296945 117602037 1 O3N5H21C26 A3B5C21D26 45.82 4.57 -7.82 -1.49 0
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296946 117602042 1 NO8C20H29 AB8C20D29 -331.28 3.28 -9.03 0.16 0
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296947 117602086 1 ClS2N3O5C25H28 AB2C3D5E25F28 -134.07 4.4 -9.3 -0.87 0
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296948 117602093 1 IO2N7C22H24 AB2C7D22E24 62.18 7.5 -9.12 -2.96 0
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296949 117602210 1 N2O3C18H26 A2B3C18D26 -136.33 7.4 -8.7 0.25 0
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296950 117602236 1 KN2O4C13H17 AB2C4D13E17 -103.75 23.28 -6.28 -0.64 0
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296951 117602245 4 OC3H3 AB3C3 -129.16 4.22 -9.78 -1.27 0
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296952 117602263 1 O7C17H18 A7B17C18 -235.7 0.6 -8.94 -0.64 0
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296953 117602375 1 PS2O3N4C49H49 AB2C3D4E49F49 15.46 8.46 -8.07 -1.8 0
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296954 117602377 1 FO2N6C23H23 AB2C6D23E23 2.27 11.33 -9.25 -1.53 0
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296955 117602570 1 SCl2N2O6H20C27 AB2C2D6E20F27 -138.67 3.52 -8.75 -1.44 0
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296956 117602619 1 SO3N6C18H20 AB3C6D18E20 56.18 3.52 -8.84 -1.49 0
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296957 117602723 1 O3C22H26 A3B22C26 -112.03 2.47 -9.08 -0.07 0
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296958 117602826 1 BrFSN2O3C18H24 ABCD2E3F18G24 -127.51 5.01 -8.6 -0.63 0
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296959 117602947 1 BrNO2C12H12 ABC2D12E12 -56.43 5.95 -9.26 -1.45 0
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296960 117602966 1 O2F3N3H20C21 A2B3C3D20E21 -132.14 4.44 -9.09 -0.42 0
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296961 117603051 1 NF2O2H15C18 AB2C2D15E18 -115.42 4.94 -9.62 -1.21 0
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296962 117603056 1 O2N3C17H19 A2B3C17D19 -1.74 2.09 -8.73 -0.81 0
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296963 117603064 3 ON2C10H10 AB2C10D10 7.79 10.8 -8.27 -1.29 0
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296964 117603152 1 FN2O2H19C22 AB2C2D19E22 -46.66 5.24 -9.74 -1.22 0
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296965 117603185 1 ClO3N4C27H27 AB3C4D27E27 -69.81 6.5 -8.66 -0.79 0