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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150558 53790251 1 SO3H14C15 AB3C14D15 -67.0 3.5 -8.87 -0.42 0
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150559 53790252 2 SC8H13 AB8C13 -19.82 3.25 -8.39 -0.17 0
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150560 53790253 1 OC12H24 AB12C24 -84.73 1.85 -9.7 1.11 0
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150561 53790254 1 ON3C5H7 AB3C5D7 44.02 6.29 -8.8 -0.8 0
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150562 53790255 1 N2O3C22H24 A2B3C22D24 -55.82 3.6 -8.46 -0.71 0
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150563 53790256 1 N3O3C25H31 A3B3C25D31 -115.31 4.49 -7.94 0.19 0
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150564 53790257 1 ClN2O3C21H21 AB2C3D21E21 -74.94 6.78 -8.49 -1.13 0
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150565 53790258 1 SN2O6C21H24 AB2C6D21E24 -126.54 4.2 -8.55 -1.44 0
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150566 53790259 1 BrClO3N5H15C18 ABC3D5E15F18 43.3 2.64 -9.27 -1.56 0
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150567 53790260 1 SN2O2C16H18 AB2C2D16E18 -56.03 7.3 -8.41 -0.81 0
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150568 53790261 1 F2N2O6C39H44 A2B2C6D39E44 -290.56 2.82 -8.74 -0.78 0
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150569 53790262 1 F2N2O6C39H44 A2B2C6D39E44 -286.12 3.44 -8.87 -0.59 0
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150570 53790263 1 NCl2O4C13H15 AB2C4D13E15 -187.67 5.32 -9.49 -0.6 0
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150571 53790264 1 BrCl2O4C17H21 AB2C4D17E21 -177.19 3.53 -9.66 -1.14 0
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150572 53790265 1 N3O4C12H19 A3B4C12D19 -160.92 1.61 -10.54 -0.62 0
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150573 53790266 1 OC17H24 AB17C24 -37.77 2.24 -9.34 0.36 0
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150574 53790267 1 PSF3O6C13H18 ABC3D6E13F18 -463.69 5.76 -10.19 -1.1 0
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150575 53790268 1 NC12H15 AB12C15 24.32 2.95 -8.29 0.07 0
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150576 53790269 2 ON3H14C16 AB3C14D16 83.98 6.69 -9.78 -0.85 0
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150577 53790270 1 H14C15 A14B15 50.82 1.01 -8.96 -0.04 0
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150578 53790271 1 ClN2O2H11C14 AB2C2D11E14 0.09 5.69 -9.75 -1.55 0
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150579 53790272 1 SO3N5C25H31 AB3C5D25E31 -45.59 5.31 -8.56 -0.62 0
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150580 53790273 1 SN4O4H22C25 AB4C4D22E25 -42.92 6.58 -8.85 -0.61 0
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150581 53790274 1 OC9H14 AB9C14 -50.27 3.24 -9.38 0.87 0
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150582 53790275 1 ClN2F3H6C8 AB2C3D6E8 -109.5 4.12 -8.98 -1.04 0