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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85675 49877975 1 S2O3N4C27H28 A2B3C4D27E28 -32.66 7.97 -8.77 -1.43 0
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85676 49877976 1 S2O3N4C20H22 A2B3C4D20E22 -53.09 7.66 -8.6 -1.38 0
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85677 49878020 1 FN2O5C25H25 AB2C5D25E25 -191.69 8.04 -8.97 -1.09 0
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85678 49878021 1 FN2O5H23C25 AB2C5D23E25 -160.24 8.5 -9.01 -1.04 0
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85679 49878023 3 NO2C10H11 AB2C10D11 -183.81 10.45 -8.77 -1.06 0
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85680 49878024 1 FN2O5C26H27 AB2C5D26E27 -194.06 7.0 -9.04 -1.04 0
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85681 49878044 1 N2O6C27H28 A2B6C27D28 -162.78 9.89 -9.14 -1.12 0
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85682 49878049 1 N3O5C26H29 A3B5C26D29 -137.81 8.61 -8.9 -0.9 0
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85683 49878055 2 NO3C13H13 AB3C13D13 -170.09 10.42 -8.88 -0.59 0
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85684 49878060 1 N2O6C27H28 A2B6C27D28 -159.38 6.44 -8.84 -0.95 0
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85685 49878131 2 NO3C12H12 AB3C12D12 -164.64 11.87 -9.01 -0.67 0
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85686 49878158 2 NO3C14H15 AB3C14D15 -190.28 8.64 -8.89 -0.94 0
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85687 49878178 2 NO3C15H16 AB3C15D16 -175.75 11.34 -9.09 -1.01 0
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85688 49878213 1 SN4O4C18H22 AB4C4D18E22 -13.65 6.27 -8.11 -1.57 0
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85689 49878214 1 O2N3C14H19 A2B3C14D19 -58.13 2.35 -8.82 -0.83 0
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85690 49878257 1 Br2N3O4H17C18 A2B3C4D17E18 -94.43 6.49 -8.72 -1.3 0
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85691 49878261 1 BrNO3C18H18 ABC3D18E18 -80.15 7.96 -8.66 -1.47 0
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85692 49878267 1 ClN4O4C16H21 AB4C4D16E21 -141.91 5.81 -8.63 -0.6 0
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85693 49878268 1 ON3H23C26 AB3C23D26 69.29 4.82 -8.18 -0.42 0
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85694 49878273 1 N4O4C15H16 A4B4C15D16 -108.13 3.18 -9.54 -1.54 0
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85695 49878274 1 N5O6H9C15 A5B6C9D15 80.82 3.48 -9.94 -2.53 0
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85696 49878305 1 BrSN3O6C26H30 ABC3D6E26F30 -188.86 5.14 -8.69 -0.72 0
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85697 49878325 1 BrSN4O4C26H33 ABC4D4E26F33 -82.87 6.69 -8.3 -0.84 0
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85698 49878329 1 ClSN4O4H33C34 ABC4D4E33F34 -87.29 4.21 -8.28 -1.19 0
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85699 49878330 1 BrSN3O5H16C18 ABC3D5E16F18 -52.29 13.89 -9.0 -1.12 0