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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79904 49831196 1 N3O3C16H21 A3B3C16D21 -110.26 4.87 -8.7 -0.38 0
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79905 49831210 1 F2O2N5H25C30 A2B2C5D25E30 -12.08 14.16 -7.6 -1.69 0
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79906 49831240 1 N2O3C23H30 A2B3C23D30 -126.22 5.96 -9.34 -0.62 0
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79907 49831243 1 FN3O7C55H62 AB3C7D55E62 -216.57 9.08 -8.52 -0.39 0
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79909 49831262 1 NF3O5C14H16 AB3C5D14E16 -299.85 7.84 -10.77 -1.6 0
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79910 49831274 1 BrO2N5H12C18 AB2C5D12E18 57.94 3.41 -9.64 -1.17 0
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79911 49831288 1 O7H20C24 A7B20C24 -218.14 2.34 -8.87 -1.04 0
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79912 49831294 1 IO3C11H11 AB3C11D11 -106.31 3.74 -9.44 -1.16 0
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79913 49831295 1 I2O3H10C11 A2B3C10D11 -86.89 2.06 -9.33 -1.32 0
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79914 49831298 1 ClON2H15C22 ABC2D15E22 57.91 2.42 -8.58 -1.03 0
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79915 49831302 1 ON2H12C17 AB2C12D17 27.55 1.39 -8.69 -1.08 0
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79916 49831303 1 ON2H16C23 AB2C16D23 55.57 1.13 -8.52 -1.12 0
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79917 49831311 1 O5C29H34 A5B29C34 -142.73 3.63 -8.66 -0.64 0
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79918 49831335 1 N3O3C22H25 A3B3C22D25 -68.81 3.33 -8.54 -0.41 0
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79919 49831357 2 NOH10C12 ABC10D12 19.62 4.11 -8.43 -0.77 0
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79920 49831365 1 N2O8C35H38 A2B8C35D38 -269.27 2.78 -8.63 -1.27 0
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79921 49831370 1 PSiC22H25 ABC22D25 -53.55 4.77 -8.75 -0.79 0
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79922 49831371 1 N2O3C18H24 A2B3C18D24 -132.8 13.24 -8.85 -1.08 0
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79923 49831385 2 O2C9H12 A2B9C12 -167.85 8.15 -10.32 -0.56 0
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79924 49831403 4 OC6H10 AB6C10 -137.49 3.94 -8.6 0.38 1
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79925 49831413 1 NO2S2C13H26 AB2C2D13E26 -87.94 2.57 0.0 0.0 0
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79926 49831421 1 OF2N3C9H9 AB2C3D9E9 -81.85 0.88 -9.15 -0.28 0
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79927 49831425 1 BrNSO2C14H18 ABCD2E14F18 -35.93 6.61 -9.6 -0.49 0
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79928 49831431 1 O5C15H28 A5B15C28 -242.38 2.05 -9.89 0.83 0
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79929 49831437 1 NSiO5C20H31 ABC5D20E31 -262.62 6.2 -8.7 -0.85 0
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79930 49831438 1 N2Si2O5C24H40 A2B2C5D24E40 -293.42 6.24 -8.62 -0.79 0
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79931 49831441 1 N2O3H20C22 A2B3C20D22 -10.11 4.25 -8.79 -0.29 0
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79932 49831470 1 BrNSO2C15H18 ABCD2E15F18 -3.35 5.73 -9.64 -0.56 0
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79933 49831509 1 ClSN3H12C13 ABC3D12E13 69.8 2.07 -8.33 -0.48 0
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79934 49831519 1 ClO2C10H17 AB2C10D17 -111.49 3.47 -10.24 -0.27 0
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79935 49831524 1 F2O3H20C23 A2B3C20D23 -140.69 1.77 -8.98 -1.15 0
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79936 49831533 1 N2O6C17H20 A2B6C17D20 -244.24 3.47 -8.76 -0.22 0
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79937 49831548 1 O3C20H32 A3B20C32 -167.1 6.08 -9.88 0.0 0
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79938 49831557 1 ClNPdC8H10 ABCD8E10 44.67 4.12 -8.38 -0.19 0
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79939 49831582 1 N2O4H22C23 A2B4C22D23 -112.55 2.19 -9.4 -0.99 0
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79940 49831615 2 NO3C8H15 AB3C8D15 -267.39 0.73 -9.06 0.52 0
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79941 49831627 1 BrNSO4C24H24 ABCD4E24F24 -72.29 4.72 -9.64 -0.92 0
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79942 49831629 2 O3C7H10 A3B7C10 -274.99 2.79 -9.76 0.26 0
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79943 49831645 1 BrSN2O2C28H29 ABC2D2E28F29 -49.18 4.66 -8.31 -0.89 0
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79944 49831667 1 ON2C12H16 AB2C12D16 -24.49 3.08 -9.46 0.28 0
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79945 49831675 1 IO2C13H23 AB2C13D23 -112.3 2.66 -9.54 -0.79 0
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79946 49831677 1 O8C41H56 A8B41C56 -330.07 5.69 -9.0 0.13 0
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79947 49831686 1 OC16H26 AB16C26 -75.34 3.77 -9.09 0.63 0
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79948 49831693 1 NO9H23C24 AB9C23D24 -333.84 5.99 -9.49 -1.02 0
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79949 49831699 1 SN2O3C30H34 AB2C3D30E34 -92.64 7.45 -8.07 -0.45 0
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79950 49831724 2 O2C11H15 A2B11C15 -166.8 3.85 -9.45 -1.54 0
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79951 49831731 2 SiO2C16H29 AB2C16D29 -275.2 2.24 -9.11 0.24 0
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79952 49831758 2 O2C11H14 A2B11C14 -125.7 2.3 -8.3 0.22 0
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79953 49831792 1 N3O3C24H29 A3B3C24D29 -84.43 3.13 -8.37 -0.59 0
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79954 49831794 1 N3O3C19H21 A3B3C19D21 -77.67 4.54 -8.73 -0.59 0