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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410867 135083668 4 OC3H6 AB3C6 -222.83 1.52 -9.64 1.64 0
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410868 135083669 1 FOC15H17 ABC15D17 -56.93 2.21 -8.69 -0.41 0
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410869 135083670 1 NO3C13H17 AB3C13D17 -106.58 5.52 -9.24 -0.52 0
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410870 135083671 1 NO2C11H21 AB2C11D21 -126.07 2.14 -8.94 0.67 0
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410871 135083672 1 NSO3C12H15 ABC3D12E15 -66.73 6.17 -9.72 -0.54 0
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410872 135083673 1 NOC14H17 ABC14D17 4.82 2.8 -8.09 0.2 0
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410873 135083674 1 O3C9H14 A3B9C14 -111.65 0.33 -9.8 0.01 0
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410874 135083675 1 O2C11H18 A2B11C18 -41.4 2.33 -9.49 0.79 0
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410875 135083676 1 LiSO2C12H15 ABC2D12E15 -69.07 7.22 -8.31 0.08 0
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410876 135083677 1 ClNaN4C6H10 ABC4D6E10 -35.22 6.74 -8.31 -0.08 0
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410877 135083678 1 INO2C11H18 ABC2D11E18 -29.84 1.55 -9.57 -0.82 0
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410878 135083679 1 OSiC12H16 ABC12D16 4.65 2.44 -9.13 0.12 0
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410879 135083680 1 BrOC14H19 ABC14D19 -36.61 5.49 -9.49 0.23 0
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410880 135083681 1 PO2C9H15 AB2C9D15 -85.46 3.12 -10.1 0.37 0
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410881 135083682 1 O2C13H24 A2B13C24 -120.34 4.95 -10.11 -0.44 0
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410882 135083683 1 OC16H16 AB16C16 63.05 2.93 -9.3 -0.32 -1
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410883 135083684 1 IZn2C5H12 AB2C5D12 138.09 1.27 0.0 0.0 0
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410884 135083685 1 OSiC14H26 ABC14D26 -99.94 2.29 -8.83 0.83 0
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410885 135083686 1 NOSC9H19 ABCD9E19 -50.97 2.85 -8.25 0.53 0
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410886 135083687 1 NSeC7H13 ABC7D13 5.18 6.38 -8.31 -0.06 0
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410887 135083688 1 NSeC10H19 ABC10D19 -9.8 6.53 -8.3 -0.03 0
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410888 135083689 1 NO2S2C7H13 AB2C2D7E13 -45.46 4.57 -9.0 -0.66 0
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410889 135083690 1 NSO2C10H13 ABC2D10E13 -49.28 4.14 -10.07 -0.51 0
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410890 135083691 1 SiO2C13H18 AB2C13D18 -102.65 3.58 -9.54 -0.63 0
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410891 135083692 1 NSH13C14 ABC13D14 85.02 2.24 -8.86 -0.64 0
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410892 135083693 1 O2N4C9H16 A2B4C9D16 -44.97 1.89 -9.38 -0.91 0
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410893 135083694 1 NSH13C14 ABC13D14 107.17 1.78 -9.06 -0.48 0
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410894 135083695 1 O3C13H20 A3B13C20 -71.94 2.84 -8.9 0.0 0
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410895 135083696 1 NOSC9H19 ABCD9E19 -59.15 2.83 -8.09 0.72 0
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410896 135083697 1 O3C10H14 A3B10C14 -101.75 3.88 -9.78 0.2 0
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410897 135083698 1 NOSC9H19 ABCD9E19 -52.23 3.09 -8.27 0.54 0
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410899 135083700 1 PO4C11H21 AB4C11D21 -223.56 3.43 -10.46 0.62 0
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410901 135083702 1 F2O3H10C11 A2B3C10D11 -192.22 2.8 -10.31 -1.06 0
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410902 135083703 1 OPC13H21 ABC13D21 -7.35 5.96 -10.02 1.18 0
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410903 135083704 1 ClNH12C15 ABC12D15 70.26 2.81 -8.75 -0.23 0
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410904 135083705 1 FNOC13H14 ABCD13E14 -34.23 5.43 -8.45 -0.18 0
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410905 135083706 1 SO4H10C11 AB4C10D11 -125.28 3.8 -10.33 -0.69 0
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410906 135083707 1 ClMgH11C12 ABC11D12 -17.31 2.87 -8.52 -0.43 0
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410907 135083708 1 FNOSC12H16 ABCDE12F16 -62.99 1.94 -8.33 -0.2 0
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410908 135083709 1 ClO3C11H13 AB3C11D13 -129.15 1.96 -9.45 -0.18 0
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410909 135083710 1 OSC11H14 ABC11D14 -2.61 2.42 -8.31 0.04 0
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410910 135083711 1 ClNNaSO2C8H11 ABCDE2F8G11 -128.88 7.44 -9.09 -0.93 0
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410911 135083712 1 SN2O4C9H18 AB2C4D9E18 -170.44 3.33 -10.12 -0.82 0
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410912 135083713 2 NOC7H7 ABC7D7 6.14 2.17 -9.44 -0.93 0
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410913 135083714 1 ON2C14H22 AB2C14D22 -4.89 2.37 -8.63 0.41 0
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410914 135083715 1 OSiC11H20 ABC11D20 -50.5 0.54 -8.83 0.06 0
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410915 135083716 1 NO3H11C13 AB3C11D13 9.03 7.84 -9.38 -1.1 0
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410916 135083717 1 NOC12H15 ABC12D15 -5.61 6.04 -8.25 -0.45 0
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410917 135083718 1 SiO2C15H30 AB2C15D30 -167.69 1.31 -8.81 0.38 0
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410918 135083719 1 SO2N4C8H16 AB2C4D8E16 -56.14 5.33 -8.53 -0.5 0
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410919 135083720 1 ON2Cl3H3C10 AB2C3D3E10 46.18 2.35 -9.52 -2.01 0
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410920 135083721 1 O3C8H10 A3B8C10 -62.55 4.38 -10.32 -0.22 0
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410921 135083722 1 LiOC12H15 ABC12D15 -42.19 5.62 -8.78 0.7 0
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410922 135083723 1 NOC14H19 ABC14D19 13.25 3.65 -9.11 -0.41 0
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410923 135083724 1 SiO3C9H18 AB3C9D18 -191.25 2.28 -9.65 0.6 0
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410924 135083725 1 ON2H14C16 AB2C14D16 45.08 3.08 -8.15 -0.46 0
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410925 135083726 1 NS2C10H15 AB2C10D15 8.7 2.87 -8.59 0.18 0
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410926 135083727 1 OSC12H12 ABC12D12 28.37 3.9 -9.05 -0.62 0
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410927 135083728 1 N2O3C11H18 A2B3C11D18 -156.21 2.56 -9.41 -0.39 0
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410928 135083729 1 NOSC11H15 ABCD11E15 3.6 5.83 -8.13 -0.29 0
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410929 135083730 1 ClNC13H14 ABC13D14 25.78 4.96 -8.17 -0.18 0
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410930 135083731 2 OC5H8 AB5C8 -89.75 2.64 -8.94 0.96 0
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410931 135083732 1 BKF3C9H9 ABC3D9E9 -305.05 8.64 -8.42 0.22 -1
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410932 135083733 1 BF3C9H9 AB3C9D9 -199.45 1.13 0.0 0.0 0
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410933 135083734 1 NSO2C10H15 ABC2D10E15 -45.98 2.86 -8.24 -0.34 0
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410934 135083735 1 ClNOC14H18 ABCD14E18 -50.34 3.86 -8.79 -0.31 0
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410935 135083736 2 OC4H8 AB4C8 -120.32 4.28 -10.26 0.42 0
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410936 135083737 1 ClN2C13H17 AB2C13D17 38.09 4.86 -8.34 -0.02 0
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410937 135083740 1 O2C9H14 A2B9C14 -86.88 3.33 -9.61 0.6 0
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410938 135083741 1 OSiC14H20 ABC14D20 -75.22 1.52 -8.36 0.3 0
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410939 135083742 1 O2N3H9C10 A2B3C9D10 46.32 5.75 -10.02 -1.6 0
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410940 135083743 1 O3C14H16 A3B14C16 -95.42 1.16 -9.63 -1.14 0
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410941 135083744 2 NOC6H7 ABC6D7 -31.94 5.38 -8.85 -1.02 1
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410942 135083745 1 N2O2C12H15 A2B2C12D15 -37.1 3.1 0.0 0.0 0
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410943 135083746 1 ClNZnO2C11H14 ABCD2E11F14 46.7 11.14 -5.85 -4.44 0
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410944 135083747 1 NOSC13H19 ABCD13E19 -25.12 3.21 -8.11 -0.01 0
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410945 135083749 1 ClNOC12H16 ABCD12E16 -39.17 4.86 -9.39 -0.21 0
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410946 135083750 1 NSO2C10H13 ABC2D10E13 -49.77 3.78 -9.93 -0.5 0
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410947 135083751 1 OSi2C14H30 AB2C14D30 -125.83 2.29 -8.82 0.6 0
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410948 135083752 1 BrNaOC6H8 ABCD6E8 -56.05 6.81 -8.18 0.39 0
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410949 135083753 1 ClINOC13H17 ABCDE13F17 -38.03 4.24 -9.5 -1.24 0
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410950 135083754 1 NOSC11H21 ABCD11E21 -54.56 2.42 -8.19 0.55 0
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410951 135083755 1 BrClSC2N2H8 ABCD2E2F8 -48.36 2.58 -8.63 -0.22 0
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410952 135083756 1 LiNO2C9H10 ABC2D9E10 -86.49 9.42 -7.79 0.38 0
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410953 135083757 1 NOH11C12 ABC11D12 0.37 7.65 -9.88 -0.74 0
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410954 135083758 1 OC13H18 AB13C18 -26.73 3.35 -9.81 0.7 0
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410955 135083759 1 BKF3C8H11 ABC3D8E11 -316.82 11.27 -8.76 0.21 -1
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410956 135083760 1 BF3C8H11 AB3C8D11 -218.87 10.6 0.0 0.0 0
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410957 135083761 1 BrNOH10C14 ABCD10E14 41.97 0.96 -9.9 -1.38 0
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410958 135083762 1 NO3C10H15 AB3C10D15 -123.19 1.93 -9.68 -0.44 0
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410959 135083763 2 NOC4H7 ABC4D7 -58.38 0.94 -9.57 -0.54 1
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410960 135083764 1 N2O2C8H15 A2B2C8D15 -46.85 2.9 0.0 0.0 0
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410961 135083765 1 SN2O4C7H12 AB2C4D7E12 -127.79 5.83 -9.95 -0.83 1
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410962 135083766 1 SN2O4C7H13 AB2C4D7E13 -115.63 7.0 0.0 0.0 0
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410963 135083767 2 OC5H7 AB5C7 -61.49 3.43 -9.88 -0.44 0
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410964 135083768 2 NOC6H6 ABC6D6 -9.11 3.58 -9.07 -0.61 0
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410965 135083769 2 OC7H7 AB7C7 -13.53 1.44 -9.49 -0.09 0
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410966 135083770 2 OC8H11 AB8C11 -56.34 3.21 -9.0 -0.07 0
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410967 135083771 1 FeOPC14H20 ABCD14E20 1.09 3.79 0.0 0.0 0
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410968 135083772 1 NO3C12H19 AB3C12D19 -142.42 2.0 -10.49 -0.45 0