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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125860 50941574 1 SN2O8C29H40 AB2C8D29E40 -330.87 6.91 -9.34 -0.54 0
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125861 50941575 1 FNO5C14H16 ABC5D14E16 -241.43 6.18 -9.6 -0.12 0
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125862 50941576 1 FNO6C14H16 ABC6D14E16 -275.14 2.59 -9.31 -0.42 0
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125863 50941577 1 ClOSN6C11H13 ABCD6E11F13 26.08 2.67 -8.92 -1.28 0
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125864 50941578 1 FOSN6C17H17 ABCD6E17F17 -0.56 3.91 -8.78 -1.35 0
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125865 50941579 1 FSN6C15H15 ABC6D15E15 51.65 3.01 -8.65 -1.32 0
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125866 50941580 1 ClFSO2N6H20C23 ABCD2E6F20G23 -8.72 2.89 -8.74 -1.38 0
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125867 50941581 1 BrClH3C5N5 ABC3D5E5 63.95 3.04 -9.19 -1.22 0
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125868 50941620 1 NO3C19H19 AB3C19D19 -62.48 6.36 -7.93 -1.18 0
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125869 50941621 1 NO3C19H19 AB3C19D19 -68.04 6.52 -8.12 -1.22 0
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125870 50941652 1 ON3C27H29 AB3C27D29 61.01 3.67 -8.81 -0.17 0
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125871 50941688 1 NSO4C11H19 ABC4D11E19 -168.03 2.97 -9.66 -0.02 0
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125872 50941689 1 NSO4C12H15 ABC4D12E15 -96.54 5.81 -9.27 -0.43 0
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125873 50941690 1 N12O20C83H100 A12B20C83D100 -770.05 11.61 -8.57 -1.26 0
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125874 50941739 1 ClFON3H7C12 ABCD3E7F12 11.78 8.89 -9.95 -1.43 0
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125875 50941741 1 BrClON3H7C12 ABCD3E7F12 57.94 8.55 -9.76 -1.44 0
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125876 50941767 1 FS2N4H11C13 AB2C4D11E13 37.29 3.23 -8.7 -0.88 0
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125877 50941790 2 NOH17C19 ABC17D19 64.46 12.48 -8.67 -1.04 0
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125878 50941914 1 BrN3C22H36 AB3C22D36 53.19 24.08 -6.13 -2.57 1
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125879 50941915 1 N3C22H36 A3B22C36 19.22 2.55 0.0 0.0 0
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125880 50941916 1 BrN2C11H13 AB2C11D13 29.35 3.75 -7.88 -0.34 1
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125881 50941917 1 N2C11H13 A2B11C13 58.84 2.2 0.0 0.0 0
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125882 50941918 1 BrN2C12H15 AB2C12D15 24.36 3.22 -7.91 -0.32 0
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125883 50942052 1 FSN6H11C18 ABC6D11E18 126.7 3.55 -8.59 -1.41 0
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125884 50942053 1 SO2N7C19H23 AB2C7D19E23 -12.28 3.64 -8.52 -1.09 0