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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20012 576821 1 BrNO2S2H12C18 ABC2D2E12F18 16.45 3.12 -9.17 -1.7 0
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20013 576864 1 OH20C23 AB20C23 46.22 3.48 -9.35 -0.37 0
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20014 576865 1 NSO4C13H15 ABC4D13E15 -172.24 6.24 -9.61 -0.36 0
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20015 576891 1 NO5H13C16 AB5C13D16 -75.68 6.53 -9.93 -1.93 0
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20016 576893 4 OH7C8 AB7C8 -77.11 1.33 -9.12 -0.53 0
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20017 576897 1 C17H28 A17B28 -32.46 0.75 -9.22 0.54 0
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20018 576898 2 O2H9C11 A2B9C11 -99.09 0.16 -8.92 -0.7 0
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20019 577001 1 N2O4H12C17 A2B4C12D17 1.18 7.55 -9.65 -1.6 0
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20020 577004 4 OH4C5 AB4C5 -91.8 8.94 -9.37 -1.13 0
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20021 577039 1 O3N4H12C17 A3B4C12D17 -1.5 3.39 -9.48 -1.38 0
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20022 577041 1 NO4C21H27 AB4C21D27 -89.58 5.73 -9.31 -1.79 0
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20023 577051 1 N2O2C13H16 A2B2C13D16 -18.46 3.9 -9.85 -0.66 0
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20024 577095 1 N2O2H18C19 A2B2C18D19 -24.43 0.59 -8.65 -0.16 0
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20025 577126 1 OC13H20 AB13C20 -55.88 3.26 -8.59 0.59 0
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20026 577135 1 OS2C12H20 AB2C12D20 -61.96 3.19 -8.83 -0.05 0
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20027 577136 1 WO4H5F7C12 AB4C5D7E12 -407.01 7.65 -7.08 -0.43 -6
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20028 577138 1 ON3F6H19C21 AB3C6D19E21 -297.21 5.14 -8.47 -0.6 0
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20029 577171 2 OC8H12 AB8C12 -110.97 1.99 -9.58 -0.45 0
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20030 577172 2 OC8H12 AB8C12 -111.64 2.96 -9.69 -0.37 0
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20031 577173 2 OC7H9 AB7C9 -92.96 2.97 -9.68 -0.36 0
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20032 577180 1 ClN2O2C17H17 AB2C2D17E17 -14.49 2.8 -8.52 -0.79 0
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20033 577188 1 OC15H22 AB15C22 -62.42 1.98 -8.9 0.53 0
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20034 577196 1 FO3C26H31 AB3C26D31 -151.1 5.09 -9.2 -1.06 0
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20035 577232 1 NH7O7C20F20 AB7C7D20E20 -1244.06 2.59 -10.62 -1.71 0
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20036 577238 1 O2F5H9C15 A2B5C9D15 -262.38 2.91 -9.79 -1.33 0
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20037 577257 1 OC13H18 AB13C18 -19.48 4.25 -9.42 0.56 0
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20038 577258 2 O2H5C6 A2B5C6 -89.61 4.77 -8.74 -1.65 0
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20039 577304 1 N2C17H18 A2B17C18 50.39 3.33 -8.15 -0.12 0
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20040 577371 1 NO3H19C24 AB3C19D24 -22.19 10.47 -8.68 -0.82 0
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20041 577454 1 Br2N2O3H12C14 A2B2C3D12E14 13.95 4.51 -9.08 -1.52 0
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20042 577522 1 NO2C17H17 AB2C17D17 -44.25 3.18 -9.6 -0.04 0
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20043 577572 1 ON4H12C15 AB4C12D15 75.22 2.68 -9.52 -1.1 0
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20044 577576 1 BO3H7C8 AB3C7D8 -160.78 3.92 -9.88 -0.96 0
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20045 577577 1 O4H10C11 A4B10C11 -144.32 7.68 -9.75 -1.36 0
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20046 577595 1 BrNO4H10C18 ABC4D10E18 -84.44 3.19 -8.99 -1.46 0
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20047 577633 1 BrC10H15 AB10C15 26.27 2.74 -9.06 -0.22 0
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20048 577638 1 NCl2O3C16H19 AB2C3D16E19 -136.28 6.37 -9.98 -0.27 0
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20049 577655 1 ON3C12H19 AB3C12D19 7.06 2.57 -8.57 -0.27 0
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20050 577656 1 SnC12H12 AB12C12 201.89 0.01 -10.16 1.67 0
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20051 577659 2 OC6H8 AB6C8 -90.88 2.6 -9.34 0.22 0
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20052 577744 3 OC4H4 AB4C4 -108.2 4.21 -9.31 -0.26 0
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20053 577748 1 NiPC11H23 ABC11D23 84.12 4.35 -7.13 0.69 -5
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20054 577770 1 O2N3H5C7 A2B3C5D7 -54.29 3.63 -10.38 -1.39 0
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20055 577851 1 NPSi2O4C16H30 ABC2D4E16F30 -421.55 1.47 -9.02 -0.28 0
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20056 577871 1 ClNO3C16H20 ABC3D16E20 -128.32 4.39 -9.69 0.03 0
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20057 577914 1 O3C15H20 A3B15C20 -128.43 3.22 -8.85 0.23 0
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20058 577918 1 ON2Cl3C18H27 AB2C3D18E27 -87.62 4.18 -8.76 -0.61 0
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20059 577919 1 ClO3C15H23 AB3C15D23 -160.11 5.2 -9.72 0.48 0
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20060 577965 1 N2O3C24H30 A2B3C24D30 -107.87 6.83 -8.52 0.32 0
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20061 577987 1 SN4C15H22 AB4C15D22 51.36 3.38 -8.6 -0.58 0
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20062 578017 1 O4H8C9 A4B8C9 -116.31 0.66 -9.09 -0.3 0
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20063 578019 1 N2O3H11F13C17 A2B3C11D13E17 -729.19 5.66 -9.42 -1.02 0
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20064 578037 1 ClNO4H10C14 ABC4D10E14 -105.41 0.85 -9.5 -1.33 0
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20065 578039 2 OC5H6 AB5C6 -61.09 0.94 -8.71 0.05 0
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20066 578143 4 C3H5 A3B5 -23.83 0.42 -9.38 1.53 0
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20067 578240 2 NOH5C6 ABC5D6 -25.82 7.73 -8.94 -0.89 0
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20068 578276 1 N4O7C40H50 A4B7C40D50 -255.62 6.39 -9.24 -0.48 0
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20069 578391 1 SN2O3H18C19 AB2C3D18E19 -63.13 9.26 -8.38 -1.65 0
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20070 578422 1 OC12H18 AB12C18 -46.82 2.91 -9.14 0.74 0
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20071 578503 1 SN8C10H12 AB8C10D12 183.99 7.46 -9.13 -1.98 0
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20072 578683 2 O2C22H29 A2B22C29 -96.74 4.63 -8.45 -1.08 0
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20073 578697 1 SN4C12H18 AB4C12D18 58.1 2.71 -9.12 -0.48 0
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20074 578743 1 SiO2C20H36 AB2C20D36 -160.29 2.86 -8.9 0.17 0
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20075 578780 1 NO2F5C14H16 AB2C5D14E16 -329.21 5.69 -8.76 -0.2 0
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20076 578821 1 OC27H42 AB27C42 -85.3 4.11 -9.31 -0.42 0
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20077 578834 1 NO2C13H19 AB2C13D19 -98.86 5.13 -8.63 0.16 0
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20078 578835 1 O2C21H28 A2B21C28 -93.06 2.87 -9.85 -0.43 0
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20079 578843 1 NOC8H11 ABC8D11 14.29 2.91 -9.92 0.07 0
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20080 578900 1 SCl2N2O3H12C13 AB2C2D3E12F13 -74.31 5.37 -8.81 -1.42 0
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20081 578927 1 O3C15H20 A3B15C20 -130.77 7.1 -9.83 -0.5 0
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20082 578936 1 FC18H27 AB18C27 -76.92 2.48 -9.29 0.09 0
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20083 578957 1 C15H26 A15B26 -40.21 0.56 -8.96 1.7 0
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20084 578968 1 NOC7H9 ABC7D9 -22.61 5.56 -8.81 0.1 0
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20085 578971 1 FSO2N3H14C16 ABC2D3E14F16 -17.82 6.11 -8.71 -0.8 0
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20086 578989 1 NC9H15 AB9C15 0.23 2.62 -8.46 1.42 0