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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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810 3384 1 FO4C22H29 AB4C22D29 -226.21 7.36 -9.47 -0.77 0
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811 3386 1 NOF3C17H18 ABC3D17E18 -157.22 5.78 -9.05 -0.36 0
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812 3387 1 FO3C20H29 AB3C20D29 -220.62 6.86 -9.75 -0.03 0
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813 3389 1 SO2F3N3C29H38 AB2C3D3E29F38 -227.47 1.68 -8.14 -0.83 0
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814 3390 1 FO5C21H27 AB5C21D27 -258.61 7.66 -10.04 -0.71 0
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815 3391 1 F3O6C23H29 A3B6C23D29 -402.96 9.25 -9.47 -0.66 0
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816 3392 1 FO6C24H33 AB6C24D33 -333.95 7.87 -9.89 -0.47 0
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817 3395 1 FO4C19H19 AB4C19D19 -196.53 4.71 -9.31 -0.28 0
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818 3396 1 OF2N3C29H31 AB2C3D29E31 -68.96 3.1 -8.77 -0.07 0
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819 3397 1 N2F3O3C11H11 A2B3C3D11E11 -199.34 10.92 -9.98 -1.69 0
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820 3399 1 SF3O5C25H31 AB3C5D25E31 -361.42 10.51 -9.82 -0.53 0
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821 3400 1 ClFON2H16C19 ABCD2E16F19 -9.57 2.93 -9.19 -0.86 0
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822 3401 2 FNH8C11 ABC8D11 26.2 4.28 -9.39 -0.51 0
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823 3402 1 FNO3C24H29 ABC3D24E29 -106.19 2.2 0.0 0.0 1
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824 3404 1 N2O2F3C15H21 A2B2C3D15E21 -194.49 2.68 -9.54 -0.77 0
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825 3405 1 O6N7C19H19 A6B7C19D19 -165.62 11.03 -9.22 -1.71 0
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826 3406 2 NC2H3 AB2C3 33.79 2.46 -9.37 0.72 0
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827 3408 1 O3C19H26 A3B19C26 -145.12 4.26 -9.28 -0.23 0
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828 3409 4 OH3C4 AB3C4 -79.99 8.59 -9.0 -1.42 0
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829 3410 1 N2O4C19H24 A2B4C19D24 -130.75 5.64 -8.82 -0.28 0
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830 3411 1 N4O5C10H12 A4B5C10D12 -144.75 7.38 -9.43 -0.83 0
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831 3412 1 N7O11C22H37 A7B11C22D37 -395.21 5.5 -9.56 -0.38 0
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832 3413 1 O7C22H34 A7B22C34 -325.88 2.2 -9.87 0.09 0
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833 3414 1 CPO5 ABC5 -95.37 0.99 0.0 0.0 -3
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834 3416 2 PO4C9H11 AB4C9D11 -435.31 4.85 -9.34 -0.13 0
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835 3417 1 PC3O4H7 AB3C4D7 -198.18 1.73 -10.5 0.88 0
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836 3418 1 PO6C7H7 AB6C7D7 -299.0 3.0 -10.24 -1.25 0
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837 3420 1 NPO7C30H46 ABC7D30E46 -401.54 10.09 -9.57 0.17 0
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838 3421 1 PC3O4H5 AB3C4D5 -168.74 2.96 -11.15 -0.06 -2
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839 3422 1 PO9C19H27 AB9C19D27 -411.11 5.82 -9.28 -0.58 0
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840 3423 1 NO3H21C22 AB3C21D22 -72.05 3.59 -9.14 -0.36 0
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841 3424 1 NOC21H21 ABC21D21 3.75 5.26 -8.48 0.0 0
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842 3425 2 SN2O3C12H18 AB2C3D12E18 -252.28 3.92 -9.34 -1.39 0
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843 3426 6 COH2 ABC2 -275.01 1.66 -10.46 0.72 0
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844 3427 1 SN3C17H27 AB3C17D27 36.04 2.79 -8.92 -0.23 0
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845 3428 1 N7C12H31 A7B12C31 -9.35 2.7 -8.8 1.04 0
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846 3429 1 O5C6H14 A5B6C14 -243.15 6.19 -10.23 1.32 0
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847 3430 1 O7C26H34 A7B26C34 -205.48 5.65 -9.54 -1.74 0
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848 3431 1 NO15C34H59 AB15C34D59 -780.48 5.82 -9.44 -0.52 0
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849 3432 1 NO14C34H59 AB14C34D59 -739.76 8.59 -9.84 -0.68 0
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850 3434 1 N4O6C13H16 A4B6C13D16 -91.24 8.94 -9.55 -1.62 0
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851 3435 1 N3O5H7C8 A3B5C7D8 -47.69 9.19 -9.72 -1.68 0
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852 3436 1 NO3H10C15 AB3C10D15 7.58 3.22 0.0 0.0 -1
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853 3437 1 NO3H11C15 AB3C11D15 -41.74 4.72 -9.79 -1.34 0
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854 3440 1 ClSN2O5H11C12 ABC2D5E11F12 -158.03 8.78 -9.56 -1.01 0
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855 3441 1 S2O3N4C17H26 A2B3C4D17E26 -112.54 7.48 -8.84 -1.32 0
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856 3443 1 O6C31H48 A6B31C48 -327.21 4.85 -9.29 -0.19 0
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857 3444 1 BrOCl2N3H12C13 ABC2D3E12F13 11.62 5.34 -9.87 -0.9 0
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858 3446 1 NO2C9H17 AB2C9D17 -119.04 6.65 -10.2 1.01 0
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859 3447 1 N3O4C16H23 A3B4C16D23 -153.79 2.23 -9.43 -0.81 0
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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