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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159243 57266400 1 NO2C19H25 AB2C19D25 -95.77 3.33 -9.64 -0.14 0
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159244 57266590 1 N2O4C21H26 A2B4C21D26 -136.6 6.76 -9.53 -0.24 0
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159245 57266949 1 N5C19H21 A5B19C21 118.88 5.22 -8.34 -0.31 0
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159246 57268340 1 S2N3O6H9C12 A2B3C6D9E12 -142.06 4.65 -10.0 -1.93 0
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159247 57269252 1 SO4C15H32 AB4C15D32 -240.81 3.15 -10.73 -0.68 0
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159248 57269296 1 N5O12C20H37 A5B12C20D37 -549.63 5.02 -9.28 -0.43 0
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159249 57269318 1 ClOPC6H12 ABCD6E12 -86.0 5.07 -9.39 -0.05 1
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159250 57269320 1 SO2N5C26H30 AB2C5D26E30 23.63 8.25 0.0 0.0 0
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159251 57269322 1 N4O10C19H34 A4B10C19D34 -478.15 14.2 -10.15 0.06 0
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159252 57269324 1 N2O9C18H26 A2B9C18D26 -316.31 8.06 -9.93 -1.19 0
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159253 57269326 1 O9C37H64 A9B37C64 -455.61 5.05 -9.4 -0.15 0
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159254 57269336 1 FN2O6C15H19 AB2C6D15E19 -214.15 7.56 -9.45 -1.21 0
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159255 57269338 2 C7H11 A7B11 48.82 0.38 -9.78 1.77 0
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159256 57269341 2 NH7C8 AB7C8 78.92 3.52 -8.78 -0.41 0
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159257 57269345 1 PO4C7H13 AB4C7D13 -216.68 2.88 -10.18 0.21 0
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159258 57269347 1 N2O3C14H18 A2B3C14D18 -112.68 3.13 -8.48 -0.28 0
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159259 57269351 1 N3O6H21C22 A3B6C21D22 -105.57 5.8 -10.05 -1.39 0
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159260 57269354 1 ClNSO5H6C8 ABCD5E6F8 -96.42 4.64 -9.41 -2.0 0
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159261 57269357 1 SN2O5C27H30 AB2C5D27E30 -134.01 6.35 -8.69 -0.66 0
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159262 57269360 1 ClSO5N6C20H21 ABC5D6E20F21 -107.29 1.49 -8.96 -0.71 0
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159263 57269362 1 O6C19H40 A6B19C40 -345.08 3.54 -10.14 0.56 0
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159264 57269365 1 N3O8C29H49 A3B8C29D49 -381.51 4.99 -9.38 0.2 0
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159265 57269368 2 ClS3N5O9H12C16 AB3C5D9E12F16 -529.49 3.8 -9.76 -2.05 0
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159266 57269371 1 OCl2N3C15H21 AB2C3D15E21 -46.22 4.95 -9.12 -0.28 0
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159267 57269374 1 N2F3O5C36H39 A2B3C5D36E39 -262.18 6.29 -8.66 -1.3 0