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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85625 49877762 1 SO3N4C26H26 AB3C4D26E26 -13.72 4.06 -8.55 -1.31 0
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85626 49877763 1 SN3O3C26H29 AB3C3D26E29 -49.6 4.18 -8.28 -1.26 0
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85627 49877764 1 ClON4C27H27 ABC4D27E27 28.01 4.58 -8.2 -0.66 0
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85628 49877765 1 N2O4C21H22 A2B4C21D22 -95.86 3.81 -8.67 -1.51 0
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85629 49877774 1 ClO3N4H23C24 AB3C4D23E24 -0.26 7.52 -8.5 -1.94 0
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85630 49877781 1 O2N3H17C19 A2B3C17D19 48.37 6.92 -8.69 -1.12 0
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85631 49877799 1 ON4H14C16 AB4C14D16 72.26 9.24 -8.75 -0.84 0
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85632 49877805 1 N3O6C22H23 A3B6C22D23 -163.58 3.11 -8.1 -0.75 0
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85633 49877806 1 N2O3C31H40 A2B3C31D40 -113.76 2.73 -9.16 -1.15 0
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85634 49877811 1 N2O2H20C27 A2B2C20D27 83.35 7.0 -8.65 -1.63 0
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85635 49877821 1 NBr2O2H13C15 AB2C2D13E15 -32.04 9.06 -8.44 -1.37 0
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85636 49877822 2 ClNO2H9C11 ABC2D9E11 -64.98 5.3 -8.64 -1.41 0
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85637 49877824 1 BrN2O3H19C25 AB2C3D19E25 29.5 12.02 -8.44 -1.45 0
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85638 49877825 1 ClON4H17C25 ABC4D17E25 110.75 2.32 -8.54 -1.4 0
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85639 49877826 1 BrN7O8H28C36 AB7C8D28E36 73.22 1.83 -8.79 -1.93 0
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85640 49877827 1 O2N7C18H23 A2B7C18D23 29.12 7.1 -8.77 -1.01 0
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85641 49877828 1 NOC28H37 ABC28D37 -86.2 2.99 -8.53 0.25 0
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85642 49877831 1 SN2O4H20C26 AB2C4D20E26 -30.16 6.06 -8.85 -1.62 0
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85643 49877832 1 O2N3H19C22 A2B3C19D22 26.65 6.39 -8.01 -1.12 0
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85644 49877835 1 ClFON2H22C26 ABCD2E22F26 0.32 3.52 -9.01 -1.47 0
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85645 49877841 1 N3O4H21C23 A3B4C21D23 -57.89 3.25 -8.32 -1.19 0
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85646 49877847 1 N3O5H25C26 A3B5C25D26 -71.26 3.63 -8.52 -1.36 0
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85647 49877849 1 ON7H11C12 AB7C11D12 109.89 3.76 -9.15 -1.22 0
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85648 49877852 2 NS2O3C16H17 AB2C3D16E17 -153.81 15.86 -8.47 -2.04 0
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85649 49877854 1 O2N3H19C20 A2B3C19D20 10.74 3.35 -8.81 -1.07 0