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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94269 49999330 1 O5N6C39H56 A5B6C39D56 -246.23 11.05 -8.79 -0.73 0
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94270 49999331 1 O5N6C40H58 A5B6C40D58 -253.39 7.22 -8.84 -0.69 0
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94271 49999332 1 O5N6C40H56 A5B6C40D56 -225.95 12.46 -8.93 -0.52 0
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94272 49999333 1 O5N6C41H58 A5B6C41D58 -240.99 5.02 -8.81 -0.24 0
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94273 49999334 1 O5N6C42H60 A5B6C42D60 -247.98 6.88 -9.0 -0.35 0
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94274 49999338 1 O5N6C43H62 A5B6C43D62 -254.45 9.77 -8.76 -0.62 0
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94275 49999339 1 O5N6C40H58 A5B6C40D58 -245.23 8.1 -8.94 -0.64 0
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94276 49999340 1 O5N6C37H52 A5B6C37D52 -234.35 7.26 -8.64 -0.73 0
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94277 49999345 1 O5N6C43H62 A5B6C43D62 -261.05 3.09 -8.17 -0.2 0
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94278 49999355 1 O4N5C37H51 A4B5C37D51 -179.87 5.37 -8.97 -0.22 0
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94280 49999360 1 FO4N5C36H48 AB4C5D36E48 -232.68 8.78 -8.28 -0.36 0
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94281 49999365 1 ClO5N6C42H57 AB5C6D42E57 -247.76 8.67 -8.74 -0.58 0
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94282 49999378 1 F2O5N6C42H52 A2B5C6D42E52 -288.94 8.39 -8.54 -0.8 0
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94283 49999382 1 O5N6C42H54 A5B6C42D54 -200.84 10.49 -8.68 -0.68 0
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94285 49999387 1 FO5N6C42H53 AB5C6D42E53 -252.0 5.62 -8.74 -0.68 0
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94286 49999390 1 N6O6C43H56 A6B6C43D56 -241.45 5.7 -8.49 -0.57 0
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94288 49999407 1 O5N6C39H54 A5B6C39D54 -229.18 4.77 -8.81 -0.21 0
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94289 49999408 1 O5N6C40H56 A5B6C40D56 -239.77 8.37 -8.89 -0.26 0
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94290 49999410 1 ClO5N6C40H55 AB5C6D40E55 -239.77 4.17 -9.02 -0.56 0
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94291 49999411 1 ClO5N6C40H53 AB5C6D40E53 -228.09 5.12 -8.94 -0.79 0
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94292 49999413 1 ClO5N6C42H57 AB5C6D42E57 -240.48 5.82 -9.03 -0.45 0
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94293 49999418 1 ClO5N6C37H49 AB5C6D37E49 -221.09 3.59 -9.08 -0.78 0
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94294 49999420 1 FO5N6C42H53 AB5C6D42E53 -252.35 9.7 -8.85 -0.84 0
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94295 49999422 1 FO5N6C42H53 AB5C6D42E53 -247.77 8.37 -8.84 -0.66 0
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94296 49999428 1 ClO5N6C39H55 AB5C6D39E55 -254.33 6.12 -9.17 -0.6 0