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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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18827 548733 1 CrN2O2H5F7C9 AB2C2D5E7F9 -269.13 5.29 -9.34 -1.85 -8
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18828 548764 2 OC5H6 AB5C6 -43.65 5.03 -10.1 0.63 0
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18829 548798 1 NC9H9 AB9C9 73.62 3.66 -10.21 0.47 0
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18830 548800 3 C5H6 A5B6 47.45 0.79 -9.23 1.33 0
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18831 548801 1 ClHgO2C8H9 ABC2D8E9 -20.05 7.26 -8.94 -0.95 0
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18832 548803 1 O2N3C5H5 A2B3C5D5 19.79 5.79 -9.98 -1.42 0
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18833 548854 1 ON2C6H8 AB2C6D8 33.24 4.88 -10.48 -0.23 0
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18834 548858 6 C2H3 A2B3 5.84 0.49 -9.99 1.24 0
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18835 548860 1 OC16H30 AB16C30 -78.77 2.18 -8.86 0.52 0
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18836 548861 2 C10H17 A10B17 -34.58 0.58 -8.63 1.42 0
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18837 548862 1 OC10H16 AB10C16 -14.99 2.24 -9.23 1.5 0
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18838 548864 4 C3H5 A3B5 13.78 0.56 -9.55 1.28 0
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18839 548865 1 OC15H28 AB15C28 -72.72 2.39 -9.52 1.24 0
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18840 548866 1 O2C19H34 A2B19C34 -127.65 1.7 -9.41 0.82 0
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18841 548888 1 C15H26 A15B26 -4.17 0.58 -8.86 0.63 0
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18842 548904 2 OC5H7 AB5C7 -68.84 4.96 -9.95 0.17 0
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18843 548929 2 OC4H6 AB4C6 -81.03 3.32 -9.14 0.35 0
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18844 548936 2 OC4H5 AB4C5 -73.33 5.39 -9.45 -0.67 0
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18845 548974 1 NOC7H9 ABC7D9 6.54 4.35 -10.81 0.43 0
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18846 549016 1 OC11H18 AB11C18 -52.78 3.04 -9.61 0.78 0
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18847 549046 1 OC9H16 AB9C16 -56.76 1.45 -9.99 0.96 0
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18848 549048 1 O2C19H30 A2B19C30 -135.65 1.76 -9.56 0.77 0
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18849 549052 1 OC12H22 AB12C22 -57.89 1.97 -8.87 0.48 0
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18850 549087 1 NO2C7H11 AB2C7D11 -81.75 2.53 -9.94 0.43 0
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18851 549092 1 C9H16 A9B16 -20.82 0.97 -9.55 1.51 0
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18852 549108 2 C5H7 A5B7 135.25 0.99 -8.48 1.0 0
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18853 549129 1 O2C7H10 A2B7C10 -80.93 2.63 -10.03 -0.1 0
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18854 549282 1 FPO2C7H14 ABC2D7E14 -219.45 3.15 -10.7 1.08 0
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18855 549325 1 OC15H28 AB15C28 -62.3 2.19 -9.62 1.3 0
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18856 549355 1 OC7H8 AB7C8 9.16 2.06 -10.12 0.56 0
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18857 549444 1 NO4C8H9 AB4C8D9 -71.17 4.48 -8.9 -1.43 0
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18858 549455 1 NO3C14H19 AB3C14D19 -87.11 4.46 -8.75 0.08 0
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18859 549458 4 C11H14 A11B14 61.07 0.23 -7.13 -0.5 0
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18860 549466 1 NO6C18H23 AB6C18D23 -225.74 6.86 -9.1 -0.14 0
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18861 549551 1 NO3C7H17 AB3C7D17 -101.17 3.07 -9.55 1.0 0
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18862 549730 1 B5O6C26H57 A5B6C26D57 -525.8 2.2 -9.69 1.04 0
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18863 549766 1 NOC12H15 ABC12D15 -26.71 3.7 -8.77 0.15 0
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18864 549803 1 O2F7C14H21 A2B7C14D21 -482.85 3.6 -10.99 -0.4 0
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18865 549804 1 NSO4C14H21 ABC4D14E21 -102.87 3.94 -10.08 -2.17 0
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18866 549805 1 ClO2C12H23 AB2C12D23 -144.92 3.56 -10.8 0.19 0
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18867 549806 1 OC10H18 AB10C18 -80.47 3.03 -9.7 0.88 0
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18868 549846 1 NOSH4C5F9 ABCD4E5F9 -476.66 4.24 -9.69 -0.79 0
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18869 549943 10 CH2 AB2 -31.22 0.72 -9.61 1.45 0
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18870 549947 11 CH2 AB2 -51.85 0.06 -10.32 4.06 0
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18871 549967 2 C14H23 A14B23 -67.3 0.68 -9.01 1.44 0
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18872 549968 1 OC28H44 AB28C44 -88.85 3.62 -9.19 1.01 0
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18873 550036 1 OC10H18 AB10C18 -41.07 2.15 -10.24 1.17 0
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18874 550037 1 O4C37H72 A4B37C72 -338.75 2.45 -10.42 0.84 0
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18875 550038 1 O5C37H72 A5B37C72 -315.1 3.11 -9.9 -0.16 0
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18876 550039 1 NO2C13H13 AB2C13D13 -36.41 0.86 -9.5 -0.74 0