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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405468 135074041 2 NO2H8C9 AB2C8D9 -56.65 2.93 -9.36 -0.73 0
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405469 135074043 1 O4C21H36 A4B21C36 -187.05 6.82 -9.32 0.82 0
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405470 135074046 1 O3C15H22 A3B15C22 -137.05 2.01 -9.56 -0.09 0
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405471 135074063 1 ClN2O3C24H25 AB2C3D24E25 -51.09 3.52 -8.47 -0.24 0
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405472 135074086 1 NC4O4H7 AB4C4D7 -89.67 3.45 -10.73 -0.73 0
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405473 135074096 1 NO7H11C13 AB7C11D13 -151.49 5.2 -9.65 -1.6 0
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405474 135074125 1 ClSN2O2C17H19 ABC2D2E17F19 -44.41 7.12 -9.17 -1.13 0
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405475 135074136 1 O3C9H14 A3B9C14 -116.05 3.57 -10.31 0.67 0
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405476 135074142 1 SF3O5C17H25 AB3C5D17E25 -306.24 5.33 -9.64 -1.1 0
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405477 135074146 2 OC9H13 AB9C13 -61.44 1.59 -8.63 0.27 0
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405478 135074147 1 OC23H34 AB23C34 -34.51 1.58 -9.09 0.54 0
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405479 135074149 1 O4C29H36 A4B29C36 -130.34 1.78 -9.01 -0.71 0
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405480 135074150 1 O3C20H20 A3B20C20 -63.98 5.14 -8.83 -0.64 0
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405481 135074151 1 OC16H26 AB16C26 -36.93 1.89 -9.2 1.1 0
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405482 135074152 1 BrOC11H19 ABC11D19 -59.1 3.15 -9.22 -0.26 0
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405483 135074155 1 SiO3C15H26 AB3C15D26 -122.24 3.4 -9.18 -0.18 0
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405484 135074156 1 OSiS2C15H26 ABC2D15E26 -72.72 4.48 -8.48 -0.88 0
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405485 135074157 2 O2C9H11 A2B9C11 -101.73 1.59 -9.05 -0.72 0
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405486 135074159 1 NO2F5H16C20 AB2C5D16E20 -203.61 3.88 -9.72 -1.73 0
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405487 135074160 1 NO2H17C19 AB2C17D19 85.36 1.99 -8.69 -0.14 0
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405488 135074162 2 OC7H9 AB7C9 -15.58 4.8 -10.54 0.54 0
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405489 135074164 1 NF3O4C16H18 AB3C4D16E18 -303.1 4.78 -9.33 -0.44 0
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405490 135074165 1 NO2C11H19 AB2C11D19 -88.56 5.63 -9.68 0.16 0
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405491 135074166 1 SN2O2C23H26 AB2C2D23E26 3.43 6.74 -8.28 -0.38 0
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405492 135074167 1 BrSN2O2C22H23 ABC2D2E22F23 8.89 4.17 -8.51 -0.45 0
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405493 135074168 1 FO3C15H15 AB3C15D15 -115.85 0.98 -9.8 -0.57 0
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405494 135074169 1 O3H18C22 A3B18C22 17.04 3.13 -9.04 -0.71 0
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405495 135074171 1 O7C20H28 A7B20C28 -286.5 4.28 -8.86 0.22 0
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405496 135074172 1 OC11H14 AB11C14 -18.94 2.31 -9.12 0.62 0
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405497 135074174 1 BFO4C24H34 ABC4D24E34 -299.04 0.9 -10.01 -0.85 0
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405498 135074175 1 BrFOH12C15 ABCD12E15 -32.88 2.28 -9.63 -1.28 0
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405499 135074178 2 NO2C7H8 AB2C7D8 -142.16 8.3 -9.89 -1.46 0
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405500 135074180 1 SN3H15C20 AB3C15D20 149.5 3.87 -7.97 -1.04 0
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405501 135074181 1 N2O3C24H28 A2B3C24D28 -7.9 4.77 -8.88 -0.49 0
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405502 135074182 1 BrNSO4C21H22 ABCD4E21F22 -89.47 8.6 -9.57 -0.53 0
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405503 135074183 1 IO2C28H43 AB2C28D43 -89.09 2.71 -9.66 -1.18 -4
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405504 135074184 1 SP3N7O16C21H32 AB3C7D16E21F32 -724.67 5.7 -8.85 -2.05 0
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405505 135074185 1 N3O5C8H15 A3B5C8D15 -170.56 3.64 -9.99 -0.08 0
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405506 135074186 1 BrO2C11H15 AB2C11D15 -83.71 2.54 -9.6 -0.3 0
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405507 135074187 1 BCl2N2C27H37 AB2C2D27E37 -71.65 7.71 -9.0 -0.24 0
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405508 135074193 1 O3H10C11 A3B10C11 -71.75 2.97 -8.9 -0.25 1
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405509 135074231 1 N3O7H18C19 A3B7C18D19 -77.67 5.08 0.0 0.0 0
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405510 135074249 2 O4C12H13 A4B12C13 -257.41 3.31 -8.82 -0.2 0
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405511 135074278 1 O5C13H20 A5B13C20 -226.83 5.06 -9.61 -0.06 0
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405512 135074295 1 N4O4C21H24 A4B4C21D24 -111.73 5.43 -8.65 -1.01 0
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405513 135074296 1 SO4H18C20 AB4C18D20 -91.25 5.4 -8.62 -0.76 0
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405514 135074299 1 ClNSO2F3H9C10 ABCD2E3F9G10 -201.34 3.61 -9.68 -1.14 0
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405515 135074300 1 SN2O2F3H13C17 AB2C2D3E13F17 -136.77 1.59 -9.48 -1.21 0
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405516 135074301 1 SN2O3C13H14 AB2C3D13E14 -53.22 5.75 -8.41 -0.92 0
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405517 135074302 1 IOC13H19 ABC13D19 -35.96 2.15 -8.74 -0.78 1