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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225035 85735770 1 O2S2N5H13C16 A2B2C5D13E16 49.48 5.04 -9.04 -1.28 0
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225036 85735783 1 F3N4C23H41 A3B4C23D41 -200.52 6.32 -9.84 -0.96 0
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225037 85735792 1 FNO2S3H6C8 ABC2D3E6F8 -63.09 4.47 -9.73 -1.26 0
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225038 85735797 2 OC27H55 AB27C55 -360.35 3.15 -10.32 2.18 0
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225039 85735822 1 LiNH14C15 ABC14D15 55.76 13.7 -6.49 0.61 0
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225040 85735824 1 O3C13H16 A3B13C16 -112.47 1.88 -9.54 0.09 0
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225041 85735826 1 NO3C14H17 AB3C14D17 -96.09 2.93 -9.64 0.01 0
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225042 85735829 1 O3C23H24 A3B23C24 -79.93 2.23 -8.93 -0.08 0
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225043 85735833 1 ClO4C18H19 AB4C18D19 -101.76 3.17 -8.9 -0.06 0
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225044 85735836 1 BrIC14H16 ABC14D16 60.12 0.77 -9.65 -0.94 0
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225045 85735837 1 BrIC15H18 ABC15D18 54.7 1.82 -9.66 -0.91 1
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225046 85735839 1 NO2C12H20 AB2C12D20 -51.35 1.13 0.0 0.0 0
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225047 85735840 1 NSO4C13H17 ABC4D13E17 -111.68 6.18 -10.02 -0.41 0
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225048 85735843 1 O3H26C27 A3B26C27 -62.84 5.04 -8.87 -0.09 0
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225049 85735845 1 BO4H13C15 AB4C13D15 -176.68 3.22 -9.54 -1.17 0
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225050 85735846 1 NI2O4C9H9 AB2C4D9E9 -50.71 4.25 -9.88 -1.91 0
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225051 85735849 2 ON2H7C10 AB2C7D10 20.4 0.11 -9.38 -1.57 0
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225052 85735856 1 O3H26C27 A3B26C27 -64.03 2.9 -9.07 -0.33 0
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225053 85735858 1 SN2O2C21H26 AB2C2D21E26 -26.65 5.87 -9.11 -0.35 0
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225054 85735859 1 ClSO3C8H9 ABC3D8E9 -99.72 4.53 -9.29 -1.4 0
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225055 85735866 1 SiO2C15H20 AB2C15D20 -81.64 1.21 -8.64 -0.16 0
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225056 85735868 1 O2H20C21 A2B20C21 -18.73 2.46 -8.72 -0.18 0
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225057 85735882 1 O3C11H18 A3B11C18 -136.42 1.34 -9.36 0.53 0
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225058 85735883 1 O5C13H26 A5B13C26 -265.33 2.66 -10.02 1.26 0
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225059 85735884 1 O4C13H24 A4B13C24 -221.85 2.3 -10.06 0.56 0
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225060 85735886 1 NO4C14H15 AB4C14D15 -128.54 7.29 -8.92 -0.57 0
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225061 85735900 1 O5C21H42 A5B21C42 -302.98 3.35 -10.14 0.89 0
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225062 85735902 1 ON2H18C21 AB2C18D21 54.42 2.66 -8.04 -1.27 0
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225063 85735904 1 SF3C9H9 AB3C9D9 -145.92 4.29 -8.87 -0.71 0
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225064 85735917 1 SF3C11H13 AB3C11D13 -164.95 4.7 -8.81 -0.55 0
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225065 85735919 1 SF3C12H15 AB3C12D15 -173.66 3.74 -8.87 -0.68 0
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225066 85735928 1 SSiF3C11H15 ABC3D11E15 -180.22 3.55 -8.53 -0.55 0
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225067 85735934 1 FSO4H5C10 ABC4D5E10 -164.34 7.77 -9.73 -1.97 0
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225068 85736421 2 ON2H12C17 AB2C12D17 81.36 5.41 -8.95 -1.18 0
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225069 85736426 3 SiBr2 AB2 -153.16 0.03 -8.88 -3.14 0
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225070 85736428 1 ClNOSH14C15 ABCDE14F15 -6.02 3.82 -9.11 -0.61 0
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225071 85736430 4 NOH5C9 ABC5D9 35.46 1.85 -9.25 -2.08 0
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225072 85736432 1 O2N3C18H21 A2B3C18D21 9.65 5.84 -8.65 -0.53 1
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225073 85737937 1 Cl2N2H7C12 A2B2C7D12 85.73 2.93 0.0 0.0 0
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225074 85739610 1 SN2O4C12H16 AB2C4D12E16 -156.36 5.63 -10.19 -1.23 0
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225075 85741436 1 BrN4C14H15 AB4C14D15 80.6 4.09 -8.78 -1.01 0
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225076 85741437 1 N4C15H18 A4B15C18 72.38 3.71 -8.56 -0.69 0
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225077 85741438 1 BrN3C14H14 AB3C14D14 65.71 3.46 -8.81 -0.87 0
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225078 85741465 1 OC10H14 AB10C14 6.46 2.01 -10.46 1.3 0
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225079 85741466 2 NOC9H10 ABC9D10 -25.13 1.16 -9.45 -0.25 0
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225080 85741469 1 ClSN4C10H11 ABC4D10E11 75.78 4.02 -9.57 -1.84 0
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225081 85741471 1 ClSN4H7C11 ABC4D7E11 108.61 5.6 -9.44 -2.06 0
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225082 85741472 1 ClNOC9H12 ABCD9E12 -46.48 3.97 -8.8 -0.26 0
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225083 85741483 1 O2N3C13H15 A2B3C13D15 -49.03 7.25 -8.78 -0.73 0
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225084 85741492 1 SiC23H32 AB23C32 -32.39 0.28 -8.53 0.45 0