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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147773 53787431 1 N2O3C16H24 A2B3C16D24 -123.83 3.29 -8.23 0.13 0
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147774 53787432 1 S2N4O7C21H22 A2B4C7D21E22 -226.59 4.58 -8.28 -0.96 0
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147775 53787433 1 BrOC28H31 ABC28D31 39.64 1.14 -9.36 0.0 0
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147776 53787434 1 N3O7C24H25 A3B7C24D25 -89.6 2.85 -9.64 -1.6 0
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147777 53787435 1 N2O4C23H34 A2B4C23D34 -185.57 6.52 -8.73 0.08 0
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147778 53787436 1 O2N3C17H23 A2B3C17D23 -10.75 1.85 -9.38 -0.13 1
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147779 53787437 1 ON2C24H41 AB2C24D41 -56.88 3.87 0.0 0.0 0
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147780 53787438 1 S2N3O6H19C23 A2B3C6D19E23 -118.69 6.63 -9.22 -1.04 0
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147781 53787439 1 SN2O3H12C13 AB2C3D12E13 -61.46 3.86 -9.29 -0.84 0
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147782 53787440 1 ClO5C22H29 AB5C22D29 -204.29 4.65 -9.03 -0.26 0
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147783 53787441 2 C18H29 A18B29 -5.92 0.58 -8.62 0.59 0
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147784 53787442 1 FON4H25C26 ABC4D25E26 48.8 5.54 -8.95 -0.04 0
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147785 53787443 2 O3C17H18 A3B17C18 -173.46 2.15 -9.36 0.05 0
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147786 53787444 2 O3C17H18 A3B17C18 -175.33 2.57 -9.33 0.07 0
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147787 53787445 2 O3C17H18 A3B17C18 -183.85 4.65 -9.54 -0.09 0
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147788 53787446 1 SF2O2N4C16H20 AB2C2D4E16F20 -102.22 2.36 -10.08 -0.79 0
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147789 53787447 1 SSiO4C24H36 ABC4D24E36 -219.03 3.07 -8.27 0.24 0
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147790 53787448 1 ClFNO2C24H25 ABCD2E24F25 -79.17 4.05 -8.78 -0.98 0
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147791 53787449 1 NO5C20H29 AB5C20D29 -162.0 5.05 -8.8 -0.02 0
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147792 53787450 1 NO2F6H15C20 AB2C6D15E20 -354.38 2.08 -10.01 -1.58 0
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147793 53787451 1 C6O7H8 A6B7C8 -253.44 2.63 -11.21 -0.63 0
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147794 53787452 1 S3N4O4C22H26 A3B4C4D22E26 -99.45 7.82 -8.25 -0.67 0
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147795 53787453 1 NC21H45 AB21C45 -95.14 1.61 -9.07 3.57 0
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147796 53787454 1 OSN5H15C16 ABC5D15E16 87.7 3.28 -8.96 -0.83 0
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147797 53787455 1 N5C12H15 A5B12C15 114.44 8.0 -8.13 -1.18 0