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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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31574 855889 1 ClON4C18H19 ABC4D18E19 62.95 9.65 -9.39 -1.05 0
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31575 855890 1 ClN4H13C15 AB4C13D15 104.3 6.39 -9.63 -1.12 0
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31576 855891 1 ClN4C18H19 AB4C18D19 89.23 8.69 -9.61 -1.1 0
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31577 855894 1 ClN4C18H19 AB4C18D19 90.05 6.51 -9.62 -1.1 0
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31578 855895 1 OSN5H9C11 ABC5D9E11 110.44 6.63 -8.97 -1.68 0
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31579 855896 1 ClN4C18H19 AB4C18D19 90.95 7.36 -9.66 -1.09 0
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31580 855898 1 ClN4H11C14 AB4C11D14 114.96 5.84 -9.78 -1.19 0
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31581 855899 1 ClN4H13C15 AB4C13D15 103.32 7.25 -9.62 -1.11 0
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31582 855900 1 ClN4H11C14 AB4C11D14 115.85 6.49 -9.95 -1.19 0
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31583 855901 1 OSN4H16C17 ABC4D16E17 49.26 8.61 -9.03 -0.92 0
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31584 855902 1 OSN2C16H16 ABC2D16E16 44.17 4.55 -9.1 -1.25 0
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31585 855903 1 NSO2H17C20 ABC2D17E20 -18.42 1.15 -8.48 -0.81 0
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31586 855904 1 NSO3H15C18 ABC3D15E18 -38.51 1.52 -9.1 -0.67 0
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31587 855905 1 NSO2C20H23 ABC2D20E23 -68.04 5.16 -8.41 -0.59 0
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31588 855906 1 NOSC14H15 ABCD14E15 -11.8 4.19 -8.37 -0.34 0
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31589 855908 1 ClNOSH14C15 ABCDE14F15 -12.51 3.56 -8.48 -0.66 0
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31590 855909 1 O3N4H6C8 A3B4C6D8 -21.48 1.97 -10.38 -2.07 0
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31591 855910 1 ON5C10H11 AB5C10D11 48.02 11.09 -9.32 -1.04 0
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31592 855911 1 SO2N4H8C12 AB2C4D8E12 63.95 5.91 -9.76 -1.47 0
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31593 855912 1 F3N4H9C14 A3B4C9D14 -27.48 7.75 -10.17 -1.52 0
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31594 855914 1 ClON2C17H17 ABC2D17E17 20.71 3.95 -8.88 -0.31 0
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31595 855915 1 OSN5C15H15 ABC5D15E15 37.64 3.05 -8.86 -1.45 0
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31596 855916 1 N2O2C19H22 A2B2C19D22 -16.94 2.92 -8.16 -0.12 0
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31597 855917 2 NOC10H14 ABC10D14 -93.1 8.88 -8.33 -0.19 0
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31598 855918 2 NOC10H14 ABC10D14 -93.93 8.74 -8.34 -0.18 0
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31599 855919 2 NOC10H14 ABC10D14 -93.12 8.63 -8.47 -0.28 0
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31600 855920 2 NOC10H14 ABC10D14 -92.29 8.91 -8.33 -0.19 0
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31601 855921 1 ClN4H13C15 AB4C13D15 105.18 7.19 -9.68 -1.08 0
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31602 855922 1 ON3C20H31 AB3C20D31 -25.02 3.63 -7.95 0.4 0
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31603 855924 1 ClON4H13C15 ABC4D13E15 44.74 1.0 -9.04 -0.9 0
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31604 855925 1 ClN2O2C14H15 AB2C2D14E15 -47.37 5.09 -8.73 -0.09 0
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31605 855926 1 ClON2C14H19 ABC2D14E19 -47.66 6.92 -8.77 -0.07 0
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31606 855927 1 SN2O4C16H18 AB2C4D16E18 -106.91 2.55 -8.95 -0.97 0
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31607 855928 1 FSO2N4H13C16 ABC2D4E13F16 -33.07 9.64 -8.87 -1.02 0
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31608 855930 1 ClSN2O3C13H13 ABC2D3E13F13 -69.75 2.55 -9.18 -1.24 0
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31609 855931 1 SN3H15C19 AB3C15D19 143.97 4.37 -8.01 -1.28 0
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31610 855932 1 SN4H14C18 AB4C14D18 155.15 2.76 -8.27 -1.47 0
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31611 855933 1 ClN4H13C19 AB4C13D19 150.31 3.29 -8.47 -1.62 0
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31612 855934 1 N3H19C22 A3B19C22 109.38 7.78 -8.9 -0.6 0
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31613 855935 1 N4H18C21 A4B18C21 119.93 8.37 -9.15 -0.84 0
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31614 855936 1 N3H17C21 A3B17C21 120.28 7.0 -9.27 -0.68 0
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31615 855939 4 NH4C5 AB4C5 150.6 2.86 -8.32 -1.43 0
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31617 855941 1 SN4H12C17 AB4C12D17 164.85 1.74 -8.33 -1.55 0
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31618 855942 1 N4H18C21 A4B18C21 140.65 2.64 -8.2 -1.33 0
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31619 855944 1 ON5C19H21 AB5C19D21 60.54 11.41 -9.14 -0.96 0
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31620 855945 4 NH4C5 AB4C5 130.14 7.58 -9.25 -0.92 0
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31621 855946 1 SO2N5C15H15 AB2C5D15E15 39.54 1.99 -9.25 -1.01 0
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31622 855947 1 ON3H15C19 AB3C15D19 91.32 7.53 -9.02 -0.78 0
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31624 855950 4 NH4C5 AB4C5 130.29 7.81 -9.37 -0.88 0
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31625 855951 1 SO2N4H14C16 AB2C4D14E16 30.63 5.77 -8.97 -0.98 0