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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85800 49879317 1 S2O3N6C16H18 A2B3C6D16E18 -1.46 5.36 -9.47 -1.8 0
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85801 49879340 1 O3N4C20H22 A3B4C20D22 -55.64 4.78 -9.17 -1.46 0
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85802 49879351 1 N2O4H14C15 A2B4C14D15 -82.22 4.31 -9.49 -0.87 0
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85803 49879387 1 FON3C18H20 ABC3D18E20 -46.81 4.06 -8.86 -0.36 0
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85804 49879406 1 N2O4H14C15 A2B4C14D15 -105.43 7.53 -9.15 -0.73 0
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85805 49879414 1 SN2O2H14C16 AB2C2D14E16 -33.0 3.47 -8.85 -1.02 0
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85806 49879421 1 OSN3C22H25 ABC3D22E25 0.75 4.81 -8.52 -0.88 0
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85807 49879429 1 N2O3C19H20 A2B3C19D20 -54.5 4.48 -8.2 -0.64 0
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85808 49879434 1 N3O3C13H17 A3B3C13D17 -57.42 2.96 -8.99 -1.16 0
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85809 49879451 1 NOC9H11 ABC9D11 36.98 1.19 -8.86 -0.13 0
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85810 49879461 1 N2O3C23H24 A2B3C23D24 -82.8 5.13 -8.8 -0.85 0
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85811 49879465 1 N2S2O6H20C21 A2B2C6D20E21 -206.97 9.71 -9.14 -0.94 0
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85812 49879472 1 N2O6H28C29 A2B6C28D29 -151.13 8.33 -8.13 -0.76 -1
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85813 49879501 1 ClSN3O3H17C18 ABC3D3E17F18 -9.41 5.89 0.0 0.0 -1
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85814 49879509 1 ClN2O3C20H20 AB2C3D20E20 -40.42 4.39 0.0 0.0 -1
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85815 49879510 1 ClN2O2F3H17C20 AB2C2D3E17F20 -127.18 3.92 0.0 0.0 0
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85816 49879511 1 N2S2O5H22C23 A2B2C5D22E23 -176.4 10.2 -8.78 -0.86 0
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85817 49879512 2 NSO3H9C10 ABC3D9E10 -198.07 9.3 -8.95 -0.76 0
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85818 49879531 1 N2S2F3O3H21C27 A2B2C3D3E21F27 -217.93 8.24 -8.87 -0.75 -1
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85819 49879538 1 ClO2N3H13C16 AB2C3D13E16 22.82 4.14 0.0 0.0 -1
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85820 49879570 1 ClO2N3C22H27 AB2C3D22E27 -3.33 3.91 0.0 0.0 -1
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85821 49879571 1 Cl2N3H18C22 A2B3C18D22 98.8 5.33 0.0 0.0 -1
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85822 49879578 1 ClN2O2C10H10 AB2C2D10E10 -59.24 3.09 0.0 0.0 -1
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85823 49879585 1 OSCl3N3C11H11 ABC3D3E11F11 22.24 7.79 0.0 0.0 -1
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85824 49879590 1 ClSO2N5C19H25 ABC2D5E19F25 1.82 3.42 0.0 0.0 -1