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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217426 85087799 1 O7C18H34 A7B18C34 -364.21 0.56 -9.73 0.93 0
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217427 85087800 1 S2O6C15H22 A2B6C15D22 -282.41 1.29 -9.25 -0.66 0
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217428 85087801 2 NH11C13 AB11C13 128.88 1.33 -7.87 -0.09 0
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217429 85087802 1 SO4C20H26 AB4C20D26 -141.04 4.4 -9.22 -0.93 0
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217430 85087804 2 NOSC9H11 ABCD9E11 -64.31 2.23 -8.94 -0.24 0
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217431 85087805 1 SiO5C18H38 AB5C18D38 -323.15 2.52 -9.2 1.19 0
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217432 85087809 1 NBr2O3H9C11 AB2C3D9E11 -78.35 4.15 -9.46 -1.28 0
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217433 85087810 1 N3O8H13C15 A3B8C13D15 -176.54 6.84 -10.28 -1.91 0
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217434 85087814 1 NPO4C19H26 ABC4D19E26 -217.0 4.81 -8.76 0.26 0
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217435 85087817 1 NO5C20H29 AB5C20D29 -214.58 4.14 -8.9 -0.29 0
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217436 85087819 1 NS2O6C14H21 AB2C6D14E21 -242.58 4.21 -9.02 -0.7 0
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217437 85087821 1 SN3O3C18H25 AB3C3D18E25 -29.35 4.53 -8.9 -2.21 0
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217438 85087822 1 SN3O3C18H25 AB3C3D18E25 -41.91 6.7 -8.68 -0.69 0
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217439 85087823 1 NO3C22H37 AB3C22D37 -120.85 0.75 -8.38 0.13 0
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217440 85087826 1 O7C19H24 A7B19C24 -283.57 0.89 -9.93 -0.7 0
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217441 85087827 1 O3N4C20H20 A3B4C20D20 -44.98 6.14 -9.46 -0.3 0
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217442 85087828 2 O3C10H14 A3B10C14 -252.84 6.92 -9.44 -0.1 0
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217443 85087829 2 O3C10H14 A3B10C14 -264.07 4.63 -9.58 -0.26 0
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217444 85087830 2 FOC11H15 ABC11D15 -216.48 4.48 -9.53 -0.56 0
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217445 85087836 1 SiO2C22H40 AB2C22D40 -184.18 4.44 -8.64 0.78 0
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217446 85087838 1 ClON6H13C18 ABC6D13E18 128.08 4.1 -8.98 -2.1 0
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217447 85087839 1 GeO2C19H33 AB2C19D33 -71.48 1.24 0.0 0.0 0
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217448 85087841 1 PSN3O7C11H16 ABC3D7E11F16 -255.11 3.56 -9.57 -1.09 0
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217449 85087842 1 NSF3O5C14H14 ABC3D5E14F14 -331.05 5.38 -10.4 -1.54 0
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217450 85087843 1 SeO3C18H22 AB3C18D22 -81.87 5.31 -9.07 -0.68 0
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217451 85087846 1 NO4C22H23 AB4C22D23 -114.18 3.6 -8.02 -0.25 0
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217452 85087847 1 N3O3C21H23 A3B3C21D23 -16.0 0.99 -9.12 -0.58 0
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217453 85087848 1 N3O4C19H31 A3B4C19D31 -207.54 6.01 -8.64 0.26 0
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217454 85087849 1 NSO2C22H23 ABC2D22E23 -8.13 3.41 -8.28 -0.23 0
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217455 85087851 1 SO2N3C19H31 AB2C3D19E31 -103.25 2.88 -8.68 -0.28 0
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217456 85087852 1 ClSN5O6C10H12 ABC5D6E10F12 -173.74 3.62 -10.09 -1.47 0
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217457 85087853 2 FN2O2C8H10 AB2C2D8E10 -234.7 6.27 -9.01 -0.98 0
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217458 85087855 1 SO7C17H18 AB7C17D18 -267.89 2.61 -8.92 -0.49 0
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217459 85087856 1 SO2N6C17H18 AB2C6D17E18 3.33 3.72 -8.82 -0.68 0
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217460 85087857 2 NO3C9H13 AB3C9D13 -186.04 6.77 -9.12 -0.62 0
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217461 85087859 1 N2O3C22H26 A2B3C22D26 -97.24 3.48 -9.44 0.07 0
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217462 85087860 1 N2O3C22H26 A2B3C22D26 -59.98 4.07 -8.88 -1.0 0
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217463 85087861 1 N2O3C22H26 A2B3C22D26 -81.63 6.53 -8.71 -0.74 0
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217464 85087862 1 SO5C19H26 AB5C19D26 -188.2 2.2 -8.83 -0.27 1
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217465 85087863 1 SO5C19H27 AB5C19D27 -206.55 3.16 0.0 0.0 0
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217466 85087864 1 FON2C23H27 ABC2D23E27 -28.04 2.69 -8.78 -0.57 0
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217467 85087866 1 N2O2C23H30 A2B2C23D30 -77.36 8.07 -8.2 -0.59 0
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217468 85087867 1 SiO5C19H30 AB5C19D30 -281.43 3.22 -8.96 -0.89 0
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217469 85087868 1 SiO4C20H34 AB4C20D34 -243.81 2.98 -9.24 -0.85 0
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217470 85087869 2 OSC10H15 ABC10D15 -108.15 2.96 -8.16 0.36 0
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217471 85087871 1 ION5H10C12 ABC5D10E12 97.08 5.13 -9.09 -1.68 0
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217472 85087872 1 BrN2O2H15C18 AB2C2D15E18 -10.08 7.62 -9.64 -0.52 0
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217473 85087873 1 BrO3C18H23 AB3C18D23 -118.37 2.92 -8.81 0.08 0
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217474 85087874 1 SeO4C17H20 AB4C17D20 -96.43 6.67 -9.07 -0.61 0
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217475 85087876 1 NO3H17C24 AB3C17D24 6.85 2.94 -9.42 -1.76 0