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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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860 3448 2 NOC3H4 ABC3D4 -22.64 4.43 -9.58 -0.34 0
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861 3449 1 NO3C17H21 AB3C17D21 -80.78 3.82 -8.2 0.19 0
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862 3450 3 NOC10H20 ABC10D20 -54.15 2.07 0.0 0.0 3
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863 3452 1 NO2C6H9 AB2C6D9 -38.89 5.17 -9.83 0.44 0
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864 3453 2 OC9H15 AB9C15 -99.86 4.77 -9.45 0.61 0
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865 3454 1 O4N5C9H13 A4B5C9D13 -107.58 9.34 -9.36 -0.4 0
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866 3455 1 OF2N2C28H32 AB2C2D28E32 -69.17 2.97 -8.73 -0.18 0
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867 3456 1 ON2C28H34 AB2C28D34 27.19 1.3 -8.59 0.19 0
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868 3457 1 N2O3C19H26 A2B3C19D26 -147.83 4.63 -9.44 -0.32 0
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869 3458 1 O7C28H34 A7B28C34 -238.54 7.06 -9.65 -0.38 0
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870 3459 1 O2C27H44 A2B27C44 -121.17 2.94 -8.99 1.05 0
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871 3460 1 N2O9C29H40 A2B9C29D40 -339.57 1.74 -9.64 -2.16 0
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872 3463 1 O3C15H22 A3B15C22 -150.61 1.17 -8.51 0.48 0
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873 3464 1 SN3O4C7H13 AB3C4D7E13 -166.13 5.3 -9.42 -0.37 0
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874 3466 5 OH2C3 AB2C3 -135.52 7.2 -9.14 -1.47 0
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875 3468 1 N3C25H30 A3B25C30 86.0 2.42 0.0 0.0 1
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876 3469 1 O4H6C7 A4B6C7 -146.73 5.47 -9.4 -1.17 0
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877 3470 3 C5H8 A5B8 0.89 1.33 -8.75 1.46 0
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878 3476 1 SN4O5C24H34 AB4C5D24E34 -227.35 5.99 -9.78 -0.76 0
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879 3478 1 SO4N5C21H27 AB4C5D21E27 -133.2 6.29 -9.98 -1.13 0
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880 3479 1 N2O5C6H12 A2B5C6D12 -179.75 3.29 -9.69 -0.01 0
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881 3480 1 SN2O6C8H12 AB2C6D8E12 -226.66 6.0 -10.31 -1.35 0
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882 3481 1 N2S3O18C24H36 A2B3C18D24E36 -738.98 5.7 -9.34 -0.63 0
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883 3482 1 NC6O6H11 AB6C6D11 -271.0 2.06 -10.58 0.22 0
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884 3483 2 C3O3H4 A3B3C4 -249.21 3.73 -10.72 -0.32 0
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885 3484 1 N2O4C5H10 A2B4C5D10 -148.03 4.8 -9.92 -0.53 0
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886 3485 1 O2C5H8 A2B5C8 -72.17 3.58 -10.08 0.2 0
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887 3486 1 SN3O9C10H17 AB3C9D10E17 -394.85 5.12 -10.25 -0.7 0
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888 3487 1 NO2C13H15 AB2C13D15 -79.76 4.36 -9.73 -0.11 0
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889 3488 1 ClSN3O5C23H28 ABC3D5E23F28 -196.04 6.96 -9.22 -0.66 0
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890 3489 1 O2S2N3C12H15 A2B2C3D12E15 -21.26 6.63 -9.16 -1.13 0
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891 3490 1 PN2C7O8H13 AB2C7D8E13 -335.25 5.53 -9.36 -1.49 -2
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892 3491 1 SN3O9C13H23 AB3C9D13E23 -356.9 3.03 -9.6 -1.46 0
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893 3492 1 SN3O9C13H23 AB3C9D13E23 -360.68 1.97 -9.39 -1.19 0
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894 3494 1 NO3C19H28 AB3C19D28 -98.63 2.6 0.0 0.0 1
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895 3496 1 NPC3O5H8 ABC3D5E8 -272.44 4.14 -10.22 0.43 0
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896 3497 1 N3O4C27H33 A3B4C27D33 -155.83 7.51 -8.64 -0.18 0
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897 3498 4 NOC5H7 ABC5D7 -136.43 0.62 -8.49 -0.04 0
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898 3500 1 N4O4H26C27 A4B4C26D27 -73.41 2.16 -8.26 -1.53 0
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899 3502 2 O7N9C29H41 A7B9C29D41 -510.66 5.47 -8.59 -0.44 0
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900 3504 2 NO2C10H14 AB2C10D14 -161.89 3.46 -9.68 -0.34 0
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901 3506 2 O7C19H28 A7B19C28 -639.89 4.04 -9.66 0.01 0
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902 3507 1 SO5N7C42H47 AB5C7D42E47 -123.41 6.35 -8.7 -0.3 0
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903 3508 2 OC5H8 AB5C8 -84.07 3.16 -9.88 0.36 0
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904 3509 1 N3O5C20H29 A3B5C20D29 -217.49 4.51 -9.63 -0.06 0
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905 3511 2 O3C10H17 A3B10C17 -225.53 1.23 -9.41 1.92 0
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906 3512 1 ClO6C17H17 AB6C17D17 -204.33 9.18 -9.13 -0.76 0
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907 3513 1 ClN3O6H10C17 AB3C6D10E17 -104.85 4.4 -9.48 -1.99 0
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908 3514 1 SN4O7C10H16 AB4C7D10E16 -257.29 2.84 -9.62 -1.48 0
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909 3517 2 ClN2C4H4 AB2C4D4 54.18 1.98 -8.89 -0.6 0