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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5842 13894 1 SN5C7H13 AB5C7D13 30.58 4.64 -9.12 0.0 0
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5843 13895 2 C7H11 A7B11 -23.86 0.02 -8.91 0.66 0
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5844 13898 1 OSH8C12 ABC8D12 32.86 4.62 -8.45 -0.86 0
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5845 13899 1 Cl2N2C11H14 A2B2C11D14 -23.12 4.63 -8.75 -0.48 0
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5846 13900 1 ClN2C11H13 AB2C11D13 16.34 1.67 -8.51 -0.31 0
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5847 13901 1 NO2C11H15 AB2C11D15 -77.88 2.64 -8.82 0.14 0
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5848 13902 2 C7H11 A7B11 -23.11 0.19 -8.9 0.6 0
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5849 13903 1 NaO3C11H13 AB3C11D13 -172.75 6.38 -8.46 0.46 0
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5850 13904 1 SN5C8H15 AB5C8D15 28.69 2.44 -8.75 0.03 0
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5851 13905 1 SN5C8H15 AB5C8D15 29.54 3.68 -8.75 0.01 0
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5852 13906 1 ON2C11H16 AB2C11D16 -35.37 4.26 -8.66 0.28 0
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5853 13907 2 NOH4C5 ABC4D5 -17.27 5.44 -10.14 -0.75 0
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5854 13908 1 SO2H8C12 AB2C8D12 -20.18 6.14 -9.61 -1.17 0
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5855 13909 1 N3O4C8H11 A3B4C8D11 -69.32 6.82 -10.21 -1.31 0
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5856 13913 1 ON2C12H14 AB2C12D14 44.63 2.13 -9.02 -0.64 0
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5857 13915 4 NH2C3 AB2C3 150.72 6.59 -11.17 -0.38 0
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5858 13916 2 ClNOH3C5 ABCD3E5 28.46 4.67 -9.47 -1.1 0
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5859 13917 1 NO2C13H19 AB2C13D19 -90.77 1.76 -8.79 0.33 0
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5860 13918 1 ClNOH10C13 ABCD10E13 -0.36 2.39 -9.02 -0.62 0
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5861 13919 1 SN5C10H15 AB5C10D15 77.37 2.09 -8.81 -0.04 0
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5863 13924 1 NOH11C15 ABC11D15 103.07 0.7 -9.14 -0.45 0
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5864 13928 1 BrClON2C13H14 ABCD2E13F14 -25.46 6.21 -9.04 -0.54 0
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5865 13929 1 BrON2C13H13 ABC2D13E13 12.4 2.85 -8.91 -0.34 0
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5866 13930 1 OH5Cl7C10 AB5C7D10 8.64 4.04 -10.04 -0.96 0
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5867 13931 3 NOC4H5 ABC4D5 -78.92 0.5 -10.59 -0.8 0
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5868 13932 1 ClON2C15H25 ABC2D15E25 -94.95 4.05 -8.74 0.28 0
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5869 13934 1 NO3C15H24 AB3C15D24 -83.06 1.95 0.0 0.0 1
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5870 13935 1 N2O3C14H22 A2B3C14D22 -167.91 3.36 -10.54 -0.53 0
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5871 13936 1 NNaCl2O2C14H18 ABC2D2E14F18 -159.59 5.38 -8.92 -0.24 0
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5872 13937 1 NO4C14H21 AB4C14D21 -143.79 4.26 -8.68 0.16 0
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5873 13938 2 NSO2C6H10 ABC2D6E10 -171.93 1.68 -8.7 -0.55 0
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5874 13939 1 OSN2C5H12 ABC2D5E12 -51.82 3.06 -9.11 0.37 0
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5875 13940 1 SO4Cl6H6C9 AB4C6D6E9 -168.96 2.51 -10.27 -1.2 0
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5876 13941 1 BrNO3C16H26 ABC3D16E26 -127.36 9.43 -8.11 -0.14 0
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5877 13942 1 NO3C16H26 AB3C16D26 -90.27 2.92 0.0 0.0 1
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5878 13945 1 PN3O7C9H14 AB3C7D9E14 -350.17 5.68 -9.41 -0.17 0
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5879 13946 1 OH2C10Cl10 AB2C10D10 -41.45 1.97 -10.83 -0.68 0
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5880 13949 1 O5N6C10H10 A5B6C10D10 10.71 5.86 -9.68 -1.8 0
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5881 13951 2 OC10H15 AB10C15 -90.08 2.17 -10.13 1.35 0
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5882 13953 1 SN2O3C16H24 AB2C3D16E24 -138.97 6.42 -9.86 -0.74 0
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5883 13954 1 N2O3C17H20 A2B3C17D20 -116.99 2.03 -9.76 -0.46 0
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5884 13955 1 BrFH14C20 ABC14D20 39.57 2.04 -9.49 -0.57 0
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5885 13956 1 PC21H21 AB21C21 38.58 2.33 -8.37 0.36 0
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5886 13957 2 OC10H14 AB10C14 -108.06 5.55 -9.56 0.06 0
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5887 13958 1 ClNO6C15H20 ABC6D15E20 -255.43 8.46 -8.68 -1.56 0
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5888 13959 1 NO6C15H19 AB6C15D19 -208.74 6.14 -8.6 -1.36 0
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5889 13960 1 NNaI3O4C14H15 ABC3D4E14F15 -188.39 5.99 -8.4 -1.14 0
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5890 13961 1 NI3O4C14H16 AB3C4D14E16 -114.5 7.31 -8.58 -1.55 0
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5891 13962 2 NaSH3C5O5 ABC3D5E5 -534.85 3.86 -9.1 -1.28 0
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5892 13963 2 SH4C5O5 AB4C5D5 -368.26 7.4 -9.6 -1.8 0