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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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329346 126735054 1 O3N4C10H12 A3B4C10D12 20.83 6.74 -9.33 -1.59 0
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329347 126735055 1 N7H27C49 A7B27C49 333.8 4.76 -8.23 -1.72 0
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329348 126735064 1 N7H27C49 A7B27C49 335.34 4.66 -8.1 -1.51 0
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329349 126735076 1 N7H37C61 A7B37C61 378.26 9.93 -7.87 -1.62 0
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329350 126735098 8 NH4C7 AB4C7 391.22 2.72 -7.88 -1.53 0
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329351 126735139 2 NOC8H11 ABC8D11 -73.6 2.57 -8.26 0.05 0
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329352 126735140 1 FON2C21H27 ABC2D21E27 -65.71 2.46 -8.58 -0.27 0
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329353 126735170 1 ON4C19H28 AB4C19D28 -11.25 4.79 -8.43 -0.04 0
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329354 126735176 1 ClSN2O3C25H29 ABC2D3E25F29 -113.98 4.37 -8.26 -0.11 0
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329355 126735181 1 SN3O3C25H31 AB3C3D25E31 -92.95 4.45 -8.7 -0.4 0
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329356 126735267 1 ON2C17H18 AB2C17D18 5.39 2.49 -8.64 -0.69 0
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329357 126735317 1 O3N4C28H40 A3B4C28D40 -97.76 4.37 -9.37 -0.03 0
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329358 126735346 1 NS2C3O3F4H5 AB2C3D3E4F5 -305.85 3.7 -9.62 -1.3 0
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329359 126735347 1 NC21H45 AB21C45 -89.96 1.12 -8.27 2.86 0
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329361 126735417 1 PO4C12H19 AB4C12D19 -104.45 5.91 -9.09 -0.71 0
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329362 126735498 2 NO7C29H40 AB7C29D40 -612.73 3.97 -8.61 -0.03 0
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329363 126735504 1 SN2C15H18 AB2C15D18 175.65 3.64 -8.45 -0.47 0
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329364 126735508 1 NS4O22C58H79 AB4C22D58E79 -947.22 8.71 -9.68 -0.84 0
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329365 126735511 1 NSO16C55H73 ABC16D55E73 -679.66 9.81 -8.83 -0.44 0
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329366 126735512 1 NS4O19C60H83 AB4C19D60E83 -809.92 5.02 -8.51 -0.81 0
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329367 126735524 1 ON2C12H14 AB2C12D14 6.66 3.16 -8.24 0.22 0
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329368 126735525 1 FON4C19H21 ABC4D19E21 -16.39 6.12 -8.57 -0.31 0
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329369 126735535 1 ClFN2C26H36 ABC2D26E36 8.21 5.54 -8.32 -0.19 0
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329370 126735558 1 FSN3C26H32 ABC3D26E32 13.82 4.1 -8.62 -0.1 1
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329371 126735617 1 SN2O3C38H39 AB2C3D38E39 -10.6 5.79 0.0 0.0 0
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329372 126735639 1 FN2O13C33H47 AB2C13D33E47 -649.59 3.56 -9.3 -0.16 0
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329373 126735696 1 NSO2C15H23 ABC2D15E23 -62.65 7.4 -9.21 0.0 0
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329374 126735699 1 NSO2C15H21 ABC2D15E21 -47.34 6.84 -9.72 -0.38 0
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329375 126735705 2 N2C6H11 A2B6C11 22.49 2.69 -9.52 0.44 0
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329376 126735708 1 NSO2C15H23 ABC2D15E23 -76.76 5.42 -9.74 -0.61 0
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329377 126735731 1 NC11H19 AB11C19 -12.76 1.97 -8.62 1.48 0
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329378 126735789 1 O2N8C21H28 A2B8C21D28 30.58 3.56 -8.23 -0.61 0
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329379 126735790 1 O3N7C17H19 A3B7C17D19 8.75 3.85 -8.28 -1.46 0
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329380 126735797 1 NSO2C16H23 ABC2D16E23 -58.36 5.63 -9.44 -0.33 0
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329381 126735847 1 NO3C9H19 AB3C9D19 -164.94 2.03 -9.7 0.72 0
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329382 126735860 1 O11C24H46 A11B24C46 -546.14 5.37 -10.34 0.84 0
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329383 126735862 2 O11C23H42 A11B23C42 -1069.29 5.11 -10.1 0.34 0
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329384 126735883 1 ClFNO6C22H23 ABCD6E22F23 -287.03 5.73 -9.52 -0.81 0
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329385 126735897 2 NOC5H6 ABC5D6 -6.58 5.79 -8.83 -1.04 0
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329386 126735941 1 NOH13C15 ABC13D15 23.88 3.12 -8.47 -0.3 0
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329387 126735973 1 O11C20H36 A11B20C36 -516.07 5.79 -10.1 0.71 0
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329388 126735978 2 C12O18H23 A12B18C23 -1662.63 2.0 -10.6 -0.09 0
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329389 126735997 1 NH31C32 AB31C32 97.89 1.94 -7.81 -0.49 0
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329390 126736013 1 NO2H19C21 AB2C19D21 -16.79 1.37 -9.26 -0.61 0
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329391 126736030 1 N2O6C13H18 A2B6C13D18 -159.08 4.9 -9.08 -1.14 0
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329392 126736032 1 O11H26C30 A11B26C30 -394.43 3.29 -8.75 -0.26 0
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329393 126736037 1 ClFO3H14C19 ABC3D14E19 -105.86 3.18 -9.15 -1.37 1
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329394 126736040 1 PC21H30 AB21C30 36.83 7.65 0.0 0.0 0
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329395 126736078 1 PF2N4O8C21H23 AB2C4D8E21F23 -438.23 6.27 -9.13 -1.06 0
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329396 126736110 1 OSN4F6H10C16 ABC4D6E10F16 -233.58 1.73 -9.32 -1.96 0
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329397 126736115 1 ClSF3N4H14C17 ABC3D4E14F17 -62.83 3.13 -8.64 -1.34 0
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329398 126736195 1 OC13H20 AB13C20 -54.68 1.87 -9.34 0.39 0
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329399 126736196 1 FO2N4C18H23 AB2C4D18E23 -71.31 8.31 -8.54 -0.11 0
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329400 126736216 1 OCl2N3C12H13 AB2C3D12E13 -4.6 3.79 -9.36 -0.4 0
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329401 126736229 1 OSN2C19H22 ABC2D19E22 16.69 3.83 -8.58 -0.27 0
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329402 126736232 1 BrON2C12H15 ABC2D12E15 -3.34 2.08 -8.59 -0.51 0
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329403 126736263 1 F2O2N4C27H34 A2B2C4D27E34 -184.35 3.09 -8.5 -0.19 0
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329404 126736314 1 SF3N4O5C19H23 AB3C4D5E19F23 -329.91 6.54 -9.73 -1.12 0
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329405 126736340 2 O2N3H8C11 A2B3C8D11 -2.53 9.83 -9.23 -1.59 0
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329406 126736355 1 N3H29C43 A3B29C43 248.75 4.67 -7.93 -0.8 0
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329407 126736364 1 NO6C9H15 AB6C9D15 -271.85 4.92 -10.2 0.06 0
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329408 126736374 2 NO5H6C12 AB5C6D12 -193.5 7.29 -9.35 -2.0 0
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329409 126736381 1 NO8C20H27 AB8C20D27 -355.7 2.41 -9.74 -0.05 0
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329410 126736385 1 OCl2N4C16H24 AB2C4D16E24 -60.86 1.82 -8.76 -0.31 0
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329411 126736426 1 NO7C45H85 AB7C45D85 -434.39 3.39 -9.77 -1.24 0
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329412 126736434 1 PO7C73H75 AB7C73D75 -156.1 5.86 -8.23 -0.31 0
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329413 126736453 1 NO6C19H27 AB6C19D27 -273.85 1.49 -9.68 -0.02 0
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329414 126736467 1 PO4H19C21 AB4C19D21 -114.51 4.97 -8.11 -0.83 0
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329415 126736477 1 PO5H31C37 AB5C31D37 -118.93 4.84 -8.84 -0.57 0
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329416 126736481 1 P2O12H98C105 A2B12C98D105 -208.69 7.88 -8.53 -0.34 0
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329417 126736491 1 PO5H31C35 AB5C31D35 -139.73 6.98 -8.71 -1.01 0
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329418 126736502 1 SN4O4C18H22 AB4C4D18E22 -116.14 4.36 -10.02 -1.15 0
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329419 126736505 1 NO5C39H59 AB5C39D59 -221.69 7.45 -8.78 -0.56 0
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329420 126736515 1 S3O9C15H28 A3B9C15D28 -423.42 3.72 -9.9 -0.96 0
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329421 126736537 2 ON2H8C9 AB2C8D9 2.04 3.83 -9.55 -1.27 0