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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405418 135073862 1 SP3N9O17C32H46 AB3C9D17E32F46 -860.76 7.19 -8.55 -0.46 0
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405419 135073864 1 C35H58 A35B58 -41.47 1.42 -8.96 1.38 0
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405420 135073866 1 SiBr2O2C22H36 AB2C2D22E36 -156.43 2.53 -8.86 -0.55 0
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405421 135073868 2 OC11H12 AB11C12 -25.87 4.55 -9.62 -0.58 0
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405422 135073869 1 ON2C20H24 AB2C20D24 11.49 4.84 -8.71 -0.42 0
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405423 135073872 1 SN2O4C13H18 AB2C4D13E18 -59.75 4.27 -9.83 -1.94 1
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405424 135073873 1 OPH18C24 ABC18D24 62.09 3.97 0.0 0.0 1
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405425 135073874 1 OPH16C22 ABC16D22 54.89 4.3 0.0 0.0 0
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405426 135073875 1 OPC12H23 ABC12D23 -82.33 4.65 -9.55 1.19 0
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405427 135073876 1 NO2C13H13 AB2C13D13 -34.96 6.67 -10.05 -0.76 0
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405428 135073877 1 SN2O4C19H22 AB2C4D19E22 -38.86 4.71 -9.56 -1.73 0
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405429 135073879 1 NSO4C16H23 ABC4D16E23 -171.18 5.88 -9.58 -0.64 0
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405430 135073880 1 NO2H15C16 AB2C15D16 -2.14 4.29 -9.37 -0.4 0
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405431 135073881 1 ION2H11C13 ABC2D11E13 32.88 3.67 -9.37 -0.84 0
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405432 135073882 1 NO4C14H15 AB4C14D15 -131.33 2.57 -8.41 -0.19 0
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405433 135073883 1 N2O3C15H18 A2B3C15D18 -61.12 1.6 -9.02 -0.57 0
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405434 135073888 1 NSO2H21C24 ABC2D21E24 -7.22 6.5 -8.47 -0.53 0
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405435 135073928 1 BrS2N4O10C36H37 AB2C4D10E36F37 -179.78 6.71 -9.87 -1.93 0
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405436 135073931 1 SSi2O8C49H72 AB2C8D49E72 -432.79 5.18 -8.78 -0.36 0
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405437 135073942 1 N2O3C21H28 A2B3C21D28 -81.99 2.0 -8.37 -0.08 0
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405438 135073986 1 N3O5C6H11 A3B5C6D11 -154.98 2.75 -10.04 -0.31 0
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405439 135073987 1 O6C15H20 A6B15C20 -232.01 3.69 -9.86 -0.23 0
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405440 135073988 1 Si2O3C29H46 A2B3C29D46 -222.06 2.29 -9.01 0.11 0
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405441 135073989 1 SN2O4C11H14 AB2C4D11E14 -50.81 5.56 -10.12 -1.77 0
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405442 135073990 1 N3H17C19 A3B17C19 113.81 2.88 -8.22 -0.02 0
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405443 135073993 1 SiO2C21H26 AB2C21D26 -70.3 2.9 -9.09 -0.2 0
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405444 135073994 1 O6H14C15 A6B14C15 -170.02 2.47 -9.45 -0.98 0
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405445 135073995 1 NO8C11H19 AB8C11D19 -370.25 3.99 -10.33 0.35 0
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405446 135073996 1 C31H50 A31B50 -15.1 0.91 -8.91 1.11 0
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405447 135073997 1 C31H50 A31B50 -15.01 0.88 -8.93 0.88 0
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405448 135073998 1 C31H50 A31B50 -14.77 1.43 -8.98 1.17 0
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405449 135074000 1 SN2O4H12C13 AB2C4D12E13 -101.13 6.11 -9.19 -1.3 0
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405450 135074001 1 PO3C14H15 AB3C14D15 -93.41 5.62 -9.01 -0.04 0
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405451 135074003 1 ClSO4H15C19 ABC4D15E19 -93.42 4.58 -8.84 -0.87 0
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405452 135074005 1 BrSO5H9C13 ABC5D9E13 -117.19 5.06 -8.68 -1.22 0
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405453 135074006 1 OPC11H21 ABC11D21 -75.4 4.98 -9.68 1.04 0
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405454 135074007 1 OPC9H17 ABC9D17 -68.09 4.69 -9.94 0.96 0
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405455 135074008 2 OC12H13 AB12C13 -30.31 3.65 -9.77 -0.31 0
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405456 135074009 1 NOH19C22 ABC19D22 36.39 3.63 -8.84 -0.44 0
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405457 135074011 1 LiPO3C17H20 ABC3D17E20 -31.36 11.28 -6.18 0.26 0
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405458 135074012 1 IC13H19 AB13C19 -1.52 1.31 -9.12 -0.71 0
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405459 135074013 1 O3H10C13 A3B10C13 -48.32 2.56 -9.25 -0.97 0
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405460 135074014 1 NSO2H19C23 ABC2D19E23 4.59 5.16 -8.75 -0.68 0
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405461 135074015 1 ON2C22H30 AB2C22D30 -44.45 3.1 -8.67 -0.14 0
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405462 135074016 2 NOC7H9 ABC7D9 -51.81 3.54 -9.84 -0.68 0
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405463 135074020 1 NOH19C20 ABC19D20 30.02 1.2 -8.29 0.05 0
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405464 135074022 1 N3C14H15 A3B14C15 83.95 0.59 -8.43 -0.47 0
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405465 135074025 1 NSF3O3C11H12 ABC3D3E11F12 -252.36 4.26 -9.95 -1.14 0
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405466 135074026 1 NSO5H23C24 ABC5D23E24 -121.12 7.22 -9.06 -0.63 0
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405467 135074037 1 SiN2F3C17H21 AB2C3D17E21 -140.27 4.93 -9.36 -0.62 0
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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