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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83892 49862256 1 ON3H15C16 AB3C15D16 64.98 4.63 -8.98 -0.7 0
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83893 49862263 1 ON3C18H21 AB3C18D21 9.99 2.9 -8.54 -0.37 0
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83894 49862279 1 F2N3O3C19H19 A2B3C3D19E19 -152.22 4.16 -8.67 -1.24 0
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83895 49862283 1 O2N3C27H41 A2B3C27D41 -69.96 3.33 -8.63 0.07 0
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83896 49862284 1 ClN3O4C26H26 AB3C4D26E26 -82.32 5.12 -8.5 -0.79 0
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83897 49862285 1 ON5C21H25 AB5C21D25 36.07 3.52 -9.06 -0.42 0
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83898 49862290 1 SO2N4C19H22 AB2C4D19E22 1.86 2.45 -8.66 -0.67 0
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83899 49862291 1 F2N3O3C30H37 A2B3C3D30E37 -208.71 2.02 -8.54 -0.18 0
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83900 49862292 1 F2N3O3C29H37 A2B3C3D29E37 -228.93 4.97 -8.86 -0.32 0
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83901 49862304 1 ClSN3O3C20H26 ABC3D3E20F26 -112.43 5.7 -8.9 -0.7 0
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83902 49862311 1 ON5H23C25 AB5C23D25 92.54 6.34 -9.35 -1.36 0
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83903 49862331 1 ClO2N4C26H35 AB2C4D26E35 -36.66 8.1 -8.72 -0.49 0
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83904 49862332 1 O3N6C24H28 A3B6C24D28 -45.11 2.99 -9.02 -0.83 0
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83905 49862334 1 O3N6C30H32 A3B6C30D32 -21.78 3.06 -9.09 -0.76 0
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83906 49862336 1 SO2N4C20H24 AB2C4D20E24 -2.93 3.08 -8.8 -0.73 0
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83907 49862342 1 N3O3F5H6C16 A3B3C5D6E16 -175.91 4.34 -9.46 -2.55 0
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83908 49862369 1 OF3N3H12C15 AB3C3D12E15 -116.01 4.47 -10.11 -1.6 0
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83909 49862377 1 F2O2N6C37H56 A2B2C6D37E56 -176.57 7.42 -8.51 -0.15 0
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83910 49862388 1 FOSN3H10C14 ABCD3E10F14 28.55 2.75 -9.18 -1.57 0
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83911 49862389 1 F2N3O4H15C22 A2B3C4D15E22 -132.58 4.6 -8.92 -1.29 0
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83912 49862408 1 F2N3O3C29H39 A2B3C3D29E39 -213.26 5.74 -8.47 -0.34 0
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83913 49862415 1 OSN2H14C17 ABC2D14E17 62.42 4.17 -9.15 -0.57 0
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83914 49862443 1 ClSN2O2C26H33 ABC2D2E26F33 -39.58 1.51 -9.11 -0.35 0
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83915 49862456 1 ClSN2O2C18H21 ABC2D2E18F21 -38.21 3.74 -9.02 -0.9 0
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83916 49862465 1 SO2N5H11C16 AB2C5D11E16 79.61 6.91 -9.47 -1.74 0
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83917 49862482 1 FON2H11C15 ABC2D11E15 -14.01 4.72 -8.89 -1.44 0
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83918 49862530 1 O2N3H9C13 A2B3C9D13 52.28 3.89 -9.69 -1.28 0
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83919 49862544 1 FON2H13C16 ABC2D13E16 -19.04 2.94 -9.09 -1.44 0
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83920 49862559 1 O2N7C28H33 A2B7C28D33 16.33 5.14 -8.85 -0.57 0
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83921 49862565 1 O2N3C23H33 A2B3C23D33 -69.13 7.12 -8.18 -0.01 0
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83922 49862567 1 ClNO3C20H30 ABC3D20E30 -71.91 10.47 -8.22 -0.6 1
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83923 49862570 1 NO3C19H28 AB3C19D28 -26.08 3.29 0.0 0.0 0
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83924 49862573 1 ClNOC8H14 ABCD8E14 -53.58 11.06 -8.65 -0.4 0
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83925 49862584 1 FO2N5C26H32 AB2C5D26E32 -83.64 3.07 -9.17 -1.2 0
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83926 49862585 1 FO2N5C22H26 AB2C5D22E26 -71.03 7.98 -9.16 -1.14 0
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83927 49862586 1 FO2N5C26H32 AB2C5D26E32 -80.6 4.48 -9.03 -1.22 0
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83928 49862594 1 O3N4C24H36 A3B4C24D36 -95.56 2.46 -9.36 -0.64 0
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83929 49862596 1 ClOF2N2H7C14 ABC2D2E7F14 -59.3 5.08 -9.44 -1.65 0
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83930 49862611 1 O4N5C27H33 A4B5C27D33 -117.19 6.53 -9.09 -0.89 0
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83931 49862614 1 O4N5C29H33 A4B5C29D33 -94.05 9.82 -9.21 -0.63 0
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83932 49862628 1 ClFSN2O2C20H24 ABCD2E2F20G24 -93.31 4.8 -8.78 -0.98 0
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83933 49862630 1 FSN2O2C20H25 ABC2D2E20F25 -81.3 6.6 -8.83 -0.77 0
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83934 49862631 1 FN3H10C12 AB3C10D12 28.85 1.51 -9.25 -0.92 0
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83935 49862648 1 O3N4C23H32 A3B4C23D32 -81.89 2.24 -9.47 -0.73 0
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83936 49862650 1 ClSN3O3C18H24 ABC3D3E18F24 -85.1 4.79 -9.35 -0.35 0
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83937 49862655 1 N3O5H11C13 A3B5C11D13 -15.55 2.31 -8.78 -2.0 0
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83938 49862656 1 BrN3O4H8C12 AB3C4D8E12 28.3 1.49 -9.51 -2.13 0
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83939 49862659 1 N3O6H11C13 A3B6C11D13 -44.89 2.0 -8.74 -2.15 0
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83940 49862703 1 ON2H20C23 AB2C20D23 44.92 2.43 -8.58 -0.67 0
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83941 49862706 1 O3F4N5C26H29 A3B4C5D26E29 -258.55 7.01 -9.28 -1.73 0