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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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