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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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329321 126734616 1 N7H43C66 A7B43C66 381.15 4.01 -7.68 -1.39 0
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329322 126734626 1 N9H33C62 A9B33C62 431.12 1.71 -8.2 -2.23 0
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329323 126734716 1 N7H35C61 A7B35C61 374.9 10.92 -8.64 -1.31 0
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329324 126734736 1 N9H41C68 A9B41C68 447.33 7.21 -7.82 -1.77 0
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329325 126734743 1 N7H39C60 A7B39C60 351.59 6.53 -8.06 -1.28 0
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329326 126734754 2 N4H17C31 A4B17C31 407.66 11.48 -8.59 -1.35 0
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329327 126734777 1 N7H27C49 A7B27C49 330.48 7.09 -8.81 -1.58 0
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329328 126734778 1 N7H27C49 A7B27C49 334.49 5.95 -8.15 -1.88 0
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329329 126734781 2 N3H14C24 A3B14C24 306.2 5.47 -8.07 -1.66 0
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329330 126734782 1 N5H33C53 A5B33C53 291.15 5.31 -8.03 -1.22 0
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329331 126734785 1 N7H35C61 A7B35C61 377.31 1.97 -8.05 -1.67 0
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329332 126734809 1 N8H42C67 A8B42C67 410.89 7.12 -7.72 -1.59 0
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329333 126734829 1 N7H33C55 A7B33C55 353.94 5.41 -7.84 -1.74 0
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329334 126734868 1 N9H83C128 A9B83C128 616.71 4.8 -7.8 -1.0 0
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329335 126734880 8 NH4C7 AB4C7 388.1 2.99 -7.86 -1.99 0
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329336 126734917 8 NH4C7 AB4C7 394.47 6.76 -7.9 -1.6 0
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329337 126734935 1 NO2C6H11 AB2C6D11 -74.7 1.96 -9.34 0.64 0
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329338 126734958 1 ClN2O3C23H29 AB2C3D23E29 -123.01 8.98 -9.03 -0.76 0
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329339 126734966 1 FSN2O3C26H27 ABC2D3E26F27 -132.06 3.93 -9.21 -0.85 0
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329340 126734972 1 N7H43C72 A7B43C72 407.13 6.55 -8.02 -1.47 0
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329341 126734973 1 N7H43C72 A7B43C72 408.44 2.77 -8.12 -1.72 0
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329342 126734988 1 N9H41C74 A9B41C74 465.34 8.63 -8.5 -1.66 0
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329343 126734990 1 N7H39C66 A7B39C66 384.95 6.19 -8.01 -1.67 0
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329344 126735009 1 ON6C25H36 AB6C25D36 20.42 3.98 -8.19 0.16 0
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329345 126735024 1 SN3O3C27H33 AB3C3D27E33 -53.64 6.93 -8.64 -0.68 0
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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