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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400356 135047656 1 CrNO5C19H29 ABC5D19E29 35.65 12.82 -7.2 -0.42 0
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400357 135047657 1 BWO2N6C19H25 ABC2D6E19F25 189.99 11.69 -7.01 -0.08 0
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400359 135047660 1 CrC7H12 AB7C12 162.75 2.84 -6.63 0.6 0
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400360 135047662 1 CrNO5C21H25 ABC5D21E25 -693.81 10.8 -8.31 -1.42 -2
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400363 135047666 1 PC15H25 AB15C25 -24.25 1.28 -9.09 0.3 -2
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400365 135047677 1 NTaCl3C22H32 ABC3D22E32 -83.59 3.89 0.0 0.0 0
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400366 135047694 1 CrO4H10C12 AB4C10D12 105.51 2.59 -6.24 0.27 0
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400367 135047707 2 PdO2C9H15 AB2C9D15 -125.82 4.58 -6.81 0.83 2
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400368 135047724 1 RhC17H23 AB17C23 44.75 12.78 -9.2 -3.62 0
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400369 135047725 1 IrOPC29H30 ABCD29E30 59.29 39.9 -9.01 -4.69 0
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400370 135047727 1 FeO6C13H14 AB6C13D14 -98.25 6.75 -7.14 -1.0 0
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400371 135047728 1 O3C10H14 A3B10C14 -102.1 1.98 -9.66 -0.95 0
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400372 135047729 1 FeO4H14C16 AB4C14D16 61.72 1.8 -7.48 0.37 0
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400373 135047730 1 OC13H14 AB13C14 4.13 0.72 -8.68 0.29 0
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400374 135047731 1 FeO6C18H18 AB6C18D18 -70.87 4.6 -7.3 0.19 0
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400375 135047739 2 CoO3C6H6 AB3C6D6 -245.6 8.98 -9.63 -7.4 0
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400378 135047745 1 RhC11H17 AB11C17 58.32 9.63 -10.56 -3.37 0
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400379 135047747 1 O2Rh2P6H10C11F18 A2B2C6D10E11F18 -1466.65 14.11 -10.67 -5.2 0
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400380 135047748 1 NO2Rh2P6H9C14F18 AB2C2D6E9F14G18 -1259.66 21.83 -9.75 -4.94 0
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400381 135047749 1 NO2Rh2P6H7C9F18 AB2C2D6E7F9G18 -1374.44 18.64 -9.93 -4.7 -1
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400382 135047750 1 FePO4F6C13H13 ABC4D6E13F13 -569.84 5.76 -8.59 -0.47 0
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400383 135047751 1 FeO5H12C14 AB5C12D14 -17.24 5.4 -7.22 -0.72 -1
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400385 135047753 1 FeO4H16C17 AB4C16D17 46.24 3.8 -6.96 0.74 0
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400386 135047754 1 OC14H16 AB14C16 -4.05 0.66 -8.6 0.38 -1
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400387 135047755 1 O3C20H31 A3B20C31 -140.75 4.14 0.0 0.0 0
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400388 135047758 1 OH20C21 AB20C21 78.65 0.91 -8.7 -0.13 0
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400389 135047759 1 SO4C14H16 AB4C14D16 -115.74 5.38 -10.07 -0.41 0
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400390 135047761 1 NO4C13H17 AB4C13D17 -146.19 4.3 -9.65 -0.04 0
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400391 135047762 1 NO2C8H13 AB2C8D13 1.87 4.22 -9.63 -0.52 -2
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400392 135047769 1 IrPC26H30 ABC26D30 152.32 6.82 -9.11 -4.37 0
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400393 135047781 1 C8H11 A8B11 26.46 0.54 0.0 0.0 0
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400394 135047782 1 FeO4C12H14 AB4C12D14 -16.53 2.09 -7.67 0.23 0
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400395 135047783 1 OC9H14 AB9C14 -34.47 1.2 -9.18 0.25 0
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400397 135047785 1 O5C15H24 A5B15C24 -232.64 1.85 -9.87 0.04 0
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400398 135047786 1 SiO3C17H26 AB3C17D26 -139.85 0.79 -9.09 0.1 0
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400399 135047788 1 S2O6C25H30 A2B6C25D30 -208.44 1.77 -9.82 -0.32 0
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400400 135047789 1 O3C12H14 A3B12C14 -101.08 3.42 -9.82 -0.1 0
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400401 135047791 1 O4C13H20 A4B13C20 -182.18 3.42 -10.4 0.02 -1
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400402 135047793 1 CoPO4H20C26 ABC4D20E26 -45.01 18.45 -10.88 -5.29 -2
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400403 135047796 1 IrB2F8C20H29 AB2C8D20E29 -535.18 19.63 -8.07 -4.18 0
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400404 135047797 1 IrOPH22C28 ABCD22E28 205.98 37.07 -8.99 -4.69 -2
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400405 135047799 1 IrOB2F8C17H23 ABC2D8E17F23 -536.93 16.59 -8.48 -4.59 -2
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400407 135047801 1 IrB2F8C18H25 AB2C8D18E25 -543.8 14.36 -6.41 -2.72 -1
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400408 135047803 3 O2C5H7 A2B5C7 -243.63 1.56 0.0 0.0 0
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400409 135047804 1 O6C15H22 A6B15C22 -264.52 4.79 -8.75 0.0 0
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400410 135047807 1 OSiC10H18 ABC10D18 -72.41 1.09 -9.15 -0.18 0
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400411 135047813 2 O2C11H15 A2B11C15 -100.26 1.82 -9.12 0.3 -1
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400412 135047820 1 CoHC5O5 ABC5D5 -147.96 26.26 -10.62 -4.76 -1
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400414 135047854 1 FeSiO4C34H40 ABC4D34E40 152.27 3.74 -7.27 -0.11 0
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400415 135047855 1 OSiC31H40 ABC31D40 -5.82 2.01 -8.92 -0.12 0
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400417 135047857 1 NO4C18H20 AB4C18D20 -68.4 7.35 0.0 0.0 -1
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400418 135047858 1 FeO5C21H22 AB5C21D22 112.33 3.41 -6.46 0.35 0
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400419 135047859 1 O2C18H23 A2B18C23 -44.15 3.5 0.0 0.0 0
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400420 135047860 1 BFeF4O5C10H11 ABC4D5E10F11 -353.55 20.53 -10.54 -1.15 1
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400421 135047861 1 FeO2C7H11 AB2C7D11 54.53 2.52 0.0 0.0 0
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400422 135047872 1 PtC6H10 AB6C10 87.09 2.37 -9.49 -1.78 0
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400423 135047873 1 ORhC11H15 ABC11D15 44.69 7.43 -9.24 -3.78 0
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400424 135047874 1 SCo2O7C16H16 AB2C7D16E16 -236.87 7.24 -9.08 -7.0 -1
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400427 135047880 1 IrOPH20C24 ABCD20E24 209.9 28.65 -9.39 -5.16 0
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400428 135047881 1 KOC4H5 ABC4D5 -38.8 9.01 -6.79 0.14 0
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400429 135047882 1 FeO4C16H16 AB4C16D16 62.93 2.81 -6.72 -0.12 0
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400430 135047883 1 FeNPO7C14H18 ABCD7E14F18 -238.24 3.98 -9.21 -0.42 0
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400431 135047884 1 NPO4C11H18 ABC4D11E18 -199.51 0.79 -9.43 -0.11 0
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400432 135047885 1 FeO6C11H14 AB6C11D14 -30.45 3.22 -7.45 0.71 0
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400433 135047886 1 FeOC13H16 ABC13D16 -8.19 1.84 -7.93 0.38 0
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400434 135047907 1 CuINZnO2C6H9 ABCDE2F6G9 27.57 11.75 -8.21 -2.51 0
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400436 135047909 1 BFeF4O4H9C10 ABC4D4E9F10 -380.02 11.23 -7.73 -2.4 -1
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400437 135047910 1 BFeF4O4C11H11 ABC4D4E11F11 -447.41 10.55 -9.04 -1.08 0
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400438 135047911 1 OC8H11 AB8C11 -19.34 2.3 0.0 0.0 0
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400439 135047912 1 BrO4C15H21 AB4C15D21 -176.03 5.05 -9.84 0.01 0
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400442 135047921 1 Co2O7H8C11 A2B7C8D11 -226.33 12.39 -10.69 -7.15 -2
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400443 135047923 1 IrB2F8C16H21 AB2C8D16E21 -528.99 25.93 -9.15 -4.39 -2
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400445 135047927 1 FeO4C13H14 AB4C13D14 55.51 1.74 -6.71 0.43 0
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400446 135047928 1 OC10H14 AB10C14 13.86 1.89 -9.91 0.28 0
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400447 135047933 1 FeNO4H11C16 ABC4D11E16 83.83 2.36 -6.71 -1.42 0
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400448 135047934 1 NOH11C13 ABC11D13 42.13 2.22 -9.56 -1.44 0
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400449 135047984 1 NO2C16H17 AB2C16D17 -16.63 2.7 -9.09 -1.2 0
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400451 135047986 1 FePO4H27C28 ABC4D27E28 90.18 1.46 -7.07 0.19 0
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400452 135047988 1 SN2O4C18H26 AB2C4D18E26 -158.42 5.43 -9.66 -0.39 0
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400453 135047989 1 CoO7C12H13 AB7C12D13 -226.6 28.79 -10.24 -5.92 0
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400454 135047997 1 FeNO7H17C19 ABC7D17E19 -130.81 8.4 -7.6 -0.19 0
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400455 135048001 1 FeO5H16C17 AB5C16D17 106.19 1.94 -7.43 0.3 0
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400456 135048002 2 OC7H8 AB7C8 -35.74 1.88 -8.6 0.29 -1
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400458 135048004 2 C7H9 A7B9 29.17 0.66 -9.19 0.4 0
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400459 135048006 1 O11C17H24 A11B17C24 -490.24 2.05 -10.37 0.17 0
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400460 135048008 1 O3C9H13 A3B9C13 -105.83 3.61 0.0 0.0 0
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400461 135048009 1 BPtN6C10H13 ABC6D10E13 208.24 0.33 -9.86 -4.3 0
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400462 135048010 1 Co2H4O7C9 A2B4C7D9 -205.91 21.27 -9.71 -6.6 -1
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400464 135048012 1 NRh2O4P6H9C11F18 AB2C4D6E9F11G18 -1384.42 3.0 -8.81 -4.78 0
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400466 135048014 1 IrPSF3O3C20H29 ABCD3E3F20G29 -104.21 4.3 -10.02 -3.54 -1
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400467 135048015 1 FePF6O6C14H15 ABC6D6E14F15 -693.99 14.31 -8.72 -0.85 0
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400468 135048018 1 FeSO3H12C15 ABC3D12E15 20.08 1.51 -8.16 0.24 -1
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400469 135048019 1 BFeO3F4C13H13 ABC3D4E13F13 -365.54 17.21 -9.42 -1.86 0
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400470 135048020 1 FeNOC17H23 ABCD17E23 40.82 6.23 -8.39 -0.87 0
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400471 135048024 1 FeO5C21H30 AB5C21D30 -31.1 2.32 -6.74 0.35 0
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400472 135048025 2 OC9H15 AB9C15 -108.84 1.98 -8.64 0.33 0
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400473 135048027 1 O5C17H18 A5B17C18 -170.32 2.27 -9.92 -0.51 0
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400474 135048047 1 FeO5C33H46 AB5C33D46 -17.41 2.02 -6.95 0.16 0
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400475 135048048 2 OC15H23 AB15C23 -139.42 2.09 -8.2 0.18 0
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400476 135048049 1 FeBr2C28H28 AB2C28D28 306.48 4.72 -6.15 -4.35 0