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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217325 85087623 1 NO10C13H23 AB10C13D23 -449.79 1.63 -10.03 -0.28 1
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217326 85087624 1 N5O6C14H20 A5B6C14D20 -129.91 4.55 0.0 0.0 0
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217327 85087626 1 NO4C21H23 AB4C21D23 -147.96 7.78 -9.51 -0.13 0
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217328 85087627 1 NO2H19C24 AB2C19D24 -0.17 4.41 -9.13 -0.34 0
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217329 85087629 1 N3O3C20H23 A3B3C20D23 -73.52 5.44 -9.44 -0.84 0
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217330 85087630 1 O3N7C15H27 A3B7C15D27 -67.64 2.57 -9.64 -0.41 2
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217331 85087631 1 FINOZnH5C9 ABCDEF5G9 -9.06 3.84 -7.68 -1.61 0
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217332 85087632 1 SN3O4C16H23 AB3C4D16E23 -105.92 11.53 -9.36 -1.18 0
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217333 85087636 1 ON3C22H31 AB3C22D31 -35.32 4.01 -8.85 0.08 0
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217334 85087637 1 NOSC22H27 ABCD22E27 -22.26 3.58 -8.64 -0.38 0
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217335 85087639 1 ClNF3O5H11C13 ABC3D5E11F13 -345.37 2.54 -10.02 -1.2 0
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217336 85087641 1 ClNSiO2C18H28 ABCD2E18F28 -123.2 2.5 -8.93 -0.45 0
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217337 85087642 1 BSO3F4C14H19 ABC3D4E14F19 -448.12 16.32 -10.98 -1.76 0
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217339 85087650 2 N2O2C9H9 A2B2C9D9 -10.04 1.41 -8.75 -1.99 0
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217340 85087654 1 O3N4C19H24 A3B4C19D24 -47.36 2.62 -8.87 -0.27 0
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217341 85087655 1 S2O7C13H22 A2B7C13D22 -316.38 9.4 -10.46 -0.06 0
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217342 85087656 1 O2H22C25 A2B22C25 -9.76 0.33 -8.75 -0.52 0
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217343 85087658 1 O3C23H30 A3B23C30 -56.6 2.75 -8.15 -0.51 0
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217344 85087659 2 NOC11H15 ABC11D15 -2.97 3.09 -8.54 -0.15 0
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217345 85087660 1 SiO4C19H34 AB4C19D34 -212.84 2.66 -9.13 0.56 0
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217346 85087661 1 SiO2C22H30 AB2C22D30 -104.58 1.97 -9.12 -0.06 0
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217347 85087665 1 O4N5C17H17 A4B5C17D17 -72.79 3.43 -8.97 -0.79 0
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217348 85087666 1 NO7C17H25 AB7C17D25 -299.84 7.45 -9.58 -0.73 0
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217349 85087667 1 O2N3H17C22 A2B3C17D22 68.61 3.03 -9.01 -1.1 0
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217350 85087669 1 NO4C21H25 AB4C21D25 -87.63 2.86 -9.41 -0.2 0