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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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57329 22395668 1 NPC7O9H14 ABC7D9E14 -469.15 2.47 -10.54 -0.4 0
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57330 22395672 1 O9C15H20 A9B15C20 -386.04 4.74 -10.26 -0.92 0
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57331 22395674 1 P2C5O11H12 A2B5C11D12 -623.46 5.01 -10.96 -0.42 0
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57332 22395675 1 NPC8O9H16 ABC8D9E16 -448.94 2.6 -9.7 -0.85 0
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57333 22395677 1 BrO5H13C21 AB5C13D21 -128.36 5.46 -9.38 -1.13 1
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57334 22395682 1 O2N4H23C25 A2B4C23D25 14.98 4.3 0.0 0.0 0
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57336 22395684 1 N22O27C81H128 A22B27C81D128 -1247.3 9.55 -8.31 -0.14 0
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57337 22395686 1 ON2C12H28 AB2C12D28 -73.19 3.32 -8.41 2.35 0
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57338 22395687 1 NO2C6H13 AB2C6D13 -102.5 3.11 -9.4 1.06 0
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57339 22395688 2 NOH5C6 ABC5D6 -18.02 5.95 -9.88 -1.55 0
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57340 22395689 1 BrO3C11H11 AB3C11D11 -87.28 5.81 -9.85 -1.26 0
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57341 22395690 1 N5H7C10 A5B7C10 131.03 0.42 -9.51 -1.26 0
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57342 22395691 1 O2N3C10H13 A2B3C10D13 -41.32 4.01 -9.44 -1.0 0
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57343 22395694 1 H5N5C6 A5B5C6 125.95 5.03 -10.15 -1.34 0
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57344 22395695 1 ON3C5H7 AB3C5D7 -3.27 2.39 -8.89 -0.63 0
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57345 22395700 1 SP3N5C10O12H16 AB3C5D10E12F16 -646.28 17.08 -9.01 -0.96 0
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57346 22395701 1 SSi2F3O5C7H19 AB2C3D5E7F19 -381.59 2.97 -9.68 -1.2 4
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57347 22395706 1 ORuTiH2 ABCD2 64.02 8.89 -7.94 -4.55 0
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57348 22395707 1 BPSiO3H5 ABCD3E5 -337.73 0.62 0.0 0.0 0
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57349 22395709 1 NSO3H13C17 ABC3D13E17 -33.57 5.16 -8.89 -1.46 -2
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57350 22395711 1 PbO2C6H14 AB2C6D14 -71.06 5.54 -4.84 -0.33 0
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57352 22395719 1 O4C23H28 A4B23C28 -159.56 3.54 -9.0 -0.94 0
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57353 22395723 2 N2H7C10 A2B7C10 159.74 5.05 -9.75 -1.41 -1
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57354 22395726 1 O2C16H27 A2B16C27 -85.43 0.29 0.0 0.0 0
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57355 22395727 1 SO2C18H34 AB2C18D34 -139.51 2.81 -8.48 0.57 0
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57356 22395728 1 SO2C18H34 AB2C18D34 -139.58 2.33 -8.53 0.82 0
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57357 22395736 2 NC9H21 AB9C21 -82.74 3.55 -9.2 3.38 0
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57358 22395740 1 OC8H12 AB8C12 -25.59 2.41 -9.65 0.79 0
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57359 22395742 2 OC8H16 AB8C16 -155.41 4.81 -10.46 0.73 -1
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57360 22395746 1 O4C6H11 A4B6C11 -132.89 2.38 0.0 0.0 0
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57361 22395747 1 OC13H14 AB13C14 -11.55 2.51 -8.53 0.51 0
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57362 22395748 1 OH10C12 AB10C12 110.8 2.78 -8.97 -0.51 0
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57363 22395750 1 OH10C11 AB10C11 144.65 1.17 -8.64 -0.19 0
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57364 22395751 1 OC12H26 AB12C26 -109.27 2.28 -10.25 2.91 0
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57365 22395754 1 OC15H18 AB15C18 -21.94 2.1 -9.1 0.11 0
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57366 22395755 1 OH8C10 AB8C10 151.26 1.44 -8.6 0.0 0
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57367 22395756 2 NSC8H10 ABC8D10 37.37 1.07 -9.07 -1.18 0
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57368 22395760 1 OH14C15 AB14C15 119.36 2.7 -8.93 -0.48 0
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57369 22395762 1 OC14H18 AB14C18 -33.37 1.05 -8.84 0.53 0
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57370 22395763 1 O3C10H20 A3B10C20 -168.85 5.93 -10.4 0.98 0
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57371 22395768 2 OC6H10 AB6C10 -112.07 5.49 -9.8 0.77 -1
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57372 22395769 1 O4C13H25 A4B13C25 -188.2 2.75 0.0 0.0 0
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57373 22395770 1 O2C9H16 A2B9C16 -106.27 4.82 -9.74 0.68 0
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57374 22395780 1 O3C13H22 A3B13C22 -141.66 1.25 -9.45 0.0 0
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57375 22395784 1 NO3C4H9 AB3C4D9 -118.36 4.39 -10.67 0.69 1
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57376 22395789 1 NC9H16 AB9C16 45.0 0.89 0.0 0.0 1
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57377 22395791 1 N2O7C23H45 A2B7C23D45 -381.21 4.95 0.0 0.0 1
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57378 22395793 1 N2O5C21H41 A2B5C21D41 -287.02 6.08 0.0 0.0 0
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57379 22395795 1 N2O3C24H48 A2B3C24D48 -203.01 11.26 -8.98 -0.04 0
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57380 22395797 1 SN2O6C28H56 AB2C6D28E56 -344.39 9.33 -9.29 -0.5 0