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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80263 49833777 1 BrN3O4C24H30 AB3C4D24E30 -131.68 4.86 -9.3 -0.66 0
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80264 49833779 1 ClN2O3H21C25 AB2C3D21E25 -43.0 3.83 -8.71 -0.45 0
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80265 49833782 1 ClN2O3C29H35 AB2C3D29E35 -118.72 4.1 -8.59 -0.34 0
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80266 49833784 1 Cl2N2O2F3H17C25 A2B2C2D3E17F25 -172.85 2.31 -8.9 -0.98 0
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80267 49833789 1 ON8C33H34 AB8C33D34 127.39 5.66 -8.39 -0.4 0
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80268 49833791 1 N9C31H31 A9B31C31 182.52 6.95 -8.27 -0.49 0
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80269 49833792 8 NC4H4 AB4C4 168.49 3.21 -8.49 -0.5 0
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80270 49833793 1 ON7H27C30 AB7C27D30 131.97 4.54 -8.29 -0.36 0
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80271 49833794 1 ClO2N5C24H26 AB2C5D24E26 5.02 6.05 -8.6 -0.76 0
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80272 49833796 1 ClO3N4H21C23 AB3C4D21E23 -41.78 7.15 -8.55 -0.78 0
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80273 49833800 1 FO2N6H23C25 AB2C6D23E25 -21.1 4.92 -8.54 -1.24 0
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80274 49833805 1 SO3N5C23H23 AB3C5D23E23 1.65 5.98 -9.18 -0.02 0
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80275 49833808 1 ClSN3O4H24C26 ABC3D4E24F26 -69.28 2.41 -8.88 -1.36 0
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80276 49833811 1 ClN3O5H24C27 AB3C5D24E27 -123.19 2.72 -8.72 -0.52 0
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80277 49833812 1 Cl2N2O4H30C31 A2B2C4D30E31 -125.7 4.66 -8.81 -0.54 0
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80278 49833815 1 SO4N6F7H33C35 AB4C6D7E33F35 -420.08 6.9 -8.91 -1.0 0
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80279 49833825 1 O2N5C18H23 A2B5C18D23 39.17 4.0 -8.62 -0.68 0
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80280 49833826 1 O2N5C19H25 A2B5C19D25 29.62 4.23 -8.55 -0.63 0
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80281 49833830 1 Cl2N3O4H21C26 A2B3C4D21E26 -91.28 0.68 -8.82 -0.56 0
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80282 49833833 1 Cl2N2O5C32H32 A2B2C5D32E32 -158.33 4.78 -8.72 -0.5 0
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80283 49833837 1 ClFSO2N6H16C23 ABCD2E6F16G23 40.82 6.48 -9.26 -1.42 0
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80284 49833845 1 FCl2O4N7H32C40 AB2C4D7E32F40 -10.91 11.31 -9.24 -1.04 0
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80285 49833846 1 O2N3C10H19 A2B3C10D19 -109.75 6.15 -9.47 0.66 0
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80286 49833847 1 N3O4C18H25 A3B4C18D25 -175.3 3.85 -9.58 -0.03 0
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80287 49833849 1 N2O4C9H14 A2B4C9D14 -191.64 7.15 -10.22 -0.08 0
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80288 49833851 1 SN2O2C14H18 AB2C2D14E18 -73.14 3.0 -8.87 -0.05 0
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80289 49833853 1 O2N4C11H22 A2B4C11D22 -103.55 5.22 -9.57 0.83 0
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80290 49833854 1 ON10C24H28 AB10C24D28 111.3 4.45 -8.77 -1.17 0
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80291 49833855 1 O3N9C26H33 A3B9C26D33 -23.28 7.48 -8.96 -1.14 0
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80292 49833859 2 ON2C12H14 AB2C12D14 -28.87 6.19 -8.76 -0.06 0
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80293 49833860 1 O3N4C24H28 A3B4C24D28 -77.95 3.91 -8.65 -0.36 0
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80294 49833870 1 O2N4C29H30 A2B4C29D30 -1.94 4.3 -8.73 -0.44 0
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80295 49833873 1 O3N4C23H26 A3B4C23D26 -71.86 6.04 -8.64 -0.26 0
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80296 49833876 1 O2N4F6H28C31 A2B4C6D28E31 -325.8 7.23 -8.78 -1.06 0
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80297 49833884 2 ON2C11H14 AB2C11D14 -32.0 5.2 -8.22 -0.22 0
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80298 49833885 1 O2N4C21H26 A2B4C21D26 -21.91 1.1 -8.3 -0.25 0
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80299 49833887 2 NOC9H9 ABC9D9 -25.61 5.64 -8.37 -0.61 0
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80300 49833892 1 N2O3C21H22 A2B3C21D22 -58.51 4.63 -8.6 -0.72 0
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80301 49833894 1 FN2O2C21H23 AB2C2D21E23 -81.86 5.08 -8.67 -0.96 1
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80303 49833905 2 SO4N7C18H35 AB4C7D18E35 -379.06 5.38 -9.35 -0.47 0
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80304 49833911 2 SN2O2C10H10 AB2C2D10E10 -45.38 4.92 -8.86 -1.05 0
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80305 49833924 1 N7O12C28H53 A7B12C28D53 -537.57 3.38 -9.43 0.48 0
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80306 49833930 1 IF2N3O5C30H32 AB2C3D5E30F32 -177.96 31.62 -8.24 -1.74 0
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80307 49833944 1 NO3C14H17 AB3C14D17 -117.0 4.6 -9.87 -0.61 0
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80308 49833947 1 NO3C16H19 AB3C16D19 -108.9 4.93 -9.42 -0.38 0
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80310 49833983 1 ClFN4O5C33H34 ABC4D5E33F34 -184.96 5.38 -8.87 -0.61 0
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80311 49833987 1 O2N7H29C31 A2B7C29D31 90.86 7.08 -8.07 -0.3 0
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80312 49834012 1 ClS2F3O3N6C29H32 AB2C3D3E6F29G32 -180.69 3.64 -8.67 -1.41 0
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80313 49834014 1 ClS2N4O4F6H19C23 AB2C4D4E6F19G23 -385.19 5.3 -9.92 -1.53 0
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80314 49834021 1 O2N5C15H21 A2B5C15D21 17.41 3.1 -8.81 -0.29 0