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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217401 85087762 2 O3C10H12 A3B10C12 -198.51 8.15 -8.51 -0.98 0
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217402 85087763 2 O3C10H12 A3B10C12 -235.14 2.12 -8.99 -0.57 0
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217403 85087765 1 N2O3H20C22 A2B3C20D22 -68.13 5.68 -9.43 -1.46 0
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217404 85087766 2 N2O2C9H12 A2B2C9D12 -133.9 5.72 -9.54 -0.25 0
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217405 85087767 1 PO5C18H33 AB5C18D33 -323.66 3.34 -9.51 0.63 0
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217406 85087769 3 OC8H8 AB8C8 -69.37 3.25 -8.68 -0.69 0
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217407 85087771 1 N2O2C23H24 A2B2C23D24 30.3 4.76 -9.36 -0.41 0
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217408 85087772 1 S2O5C16H24 A2B5C16D24 -235.54 5.36 -8.96 -0.16 0
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217409 85087773 1 O3C23H36 A3B23C36 -100.44 9.34 -8.91 -1.08 0
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217410 85087775 1 PN5O7C11H16 AB5C7D11E16 -311.34 5.03 -9.16 -0.59 0
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217411 85087776 1 NO8H15C17 AB8C15D17 -279.39 3.71 -8.87 -1.18 0
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217412 85087777 1 PSN3O6C12H16 ABC3D6E12F16 -276.17 5.95 -9.12 -0.57 0
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217413 85087778 1 F3O3N5C14H18 A3B3C5D14E18 -182.21 2.84 -9.86 -1.44 0
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217414 85087780 1 SN5O5C14H19 AB5C5D14E19 -90.85 7.78 -9.41 -0.9 0
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217415 85087782 1 NO6C19H23 AB6C19D23 -226.4 2.29 -9.19 -0.5 0
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217416 85087783 1 NO4H19C22 AB4C19D22 -26.12 1.6 -8.63 -0.71 0
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217417 85087784 1 N3O5C18H23 A3B5C18D23 -218.26 3.28 -9.46 -0.23 0
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217418 85087785 1 N3O5C18H23 A3B5C18D23 -164.99 2.68 -8.81 -0.67 0
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217419 85087786 1 NO7C17H31 AB7C17D31 -307.32 3.8 -9.57 0.58 0
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217420 85087787 1 NO3C23H23 AB3C23D23 -38.7 2.84 -9.38 -0.12 0
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217421 85087788 1 NO4C21H31 AB4C21D31 -199.55 5.57 -10.05 0.01 0
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217422 85087794 1 O3N4H18C20 A3B4C18D20 -24.09 7.19 -8.57 -1.38 0
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217423 85087796 1 N2O7C16H30 A2B7C16D30 -371.43 3.3 -9.91 0.48 0
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217424 85087797 1 O4H22C23 A4B22C23 -107.08 4.73 -10.0 -0.7 0
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217425 85087798 1 SO5C19H22 AB5C19D22 -166.64 8.33 -8.53 -0.24 0