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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148400 53788062 1 ON2C18H30 AB2C18D30 -64.38 2.88 -8.75 -0.03 0
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148401 53788063 1 ON2S2C15H24 AB2C2D15E24 -62.85 1.7 -8.53 -0.25 0
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148402 53788064 1 O6C27H28 A6B27C28 -163.48 5.49 -8.88 -1.12 1
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148403 53788065 1 PN2O2C6H16 AB2C2D6E16 -97.6 4.35 0.0 0.0 0
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148404 53788066 1 ClO3N4C33H39 AB3C4D33E39 -109.79 4.91 -9.04 -0.29 0
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148405 53788067 1 NO5H13C17 AB5C13D17 -143.12 6.01 -9.41 -1.28 0
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148406 53788068 2 C13H17 A13B17 32.04 0.26 -8.68 0.57 0
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148407 53788069 2 C13H17 A13B17 34.21 0.25 -8.59 0.58 0
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148408 53788070 1 ClSO3N4C22H29 ABC3D4E22F29 -98.49 9.98 -8.45 -0.05 0
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148409 53788071 1 OC19H36 AB19C36 -72.45 2.24 -9.79 1.09 0
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148410 53788072 1 ClC31H37 AB31C37 0.9 2.44 -8.84 0.05 0
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148411 53788073 1 FN2O3H15C16 AB2C3D15E16 -114.13 6.63 -8.97 -0.77 0
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148412 53788074 1 SN2F3O3C14H15 AB2C3D3E14F15 -279.89 3.5 -9.43 -0.88 0
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148413 53788075 1 BrOC9H9 ABC9D9 -13.33 0.89 -8.86 -0.32 0
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148414 53788076 1 NOC8H13 ABC8D13 -38.54 3.7 -9.59 0.22 0
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148415 53788077 1 ClS2N3O4C7H12 AB2C3D4E7F12 -113.12 2.98 -9.22 -1.59 0
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148416 53788078 2 OC4H6 AB4C6 -61.83 3.85 -10.06 -0.38 0
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148417 53788079 1 BrCl2O2C11H15 AB2C2D11E15 -93.15 4.31 -9.9 -1.14 0
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148418 53788080 1 C31H46 A31B46 1.79 0.4 -8.57 -0.15 0
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148419 53788081 1 ClF2C28H35 AB2C28D35 -119.98 4.62 -9.22 -0.76 0
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148420 53788082 1 NSO4C12H17 ABC4D12E17 -147.19 6.56 -8.52 -0.31 0
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148421 53788083 1 SN2O4C18H24 AB2C4D18E24 -149.23 4.89 -8.84 -0.31 0
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148422 53788084 1 F2O5N7H23C28 A2B5C7D23E28 -100.49 18.05 -8.29 -1.15 0
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148423 53788085 1 BrON2C21H27 ABC2D21E27 4.53 3.21 -8.76 -0.65 0
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148424 53788086 2 NO2C9H10 AB2C9D10 -135.92 3.28 -8.97 -0.11 0