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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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387694 134986455 1 O4C9H12 A4B9C12 -115.36 4.25 -8.83 -0.95 0
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387695 134986456 1 S2C17H28 A2B17C28 -28.61 3.48 -8.43 0.01 0
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387696 134986459 2 SC5H7 AB5C7 16.16 2.43 -8.65 0.01 0
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387697 134986463 1 NOS2C15H25 ABC2D15E25 -61.68 3.82 -8.48 -0.16 0
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387698 134986466 1 NO4C13H15 AB4C13D15 -114.25 3.18 -9.3 -0.7 0
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387699 134986470 1 MnO5C12H13 AB5C12D13 82.6 2.48 -5.86 -4.19 0
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387700 134986474 1 ClHgO2C10H17 ABC2D10E17 -79.83 4.91 -9.04 0.14 0
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387701 134986479 1 NO2C10H15 AB2C10D15 -71.28 6.04 -8.07 0.16 0
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387702 134986492 1 ClSO3C10H17 ABC3D10E17 -165.54 2.61 -8.95 -0.28 0
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387703 134986502 1 NO3C12H17 AB3C12D17 -117.75 5.64 -10.34 0.17 0
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387704 134986509 1 NOS2C9H11 ABC2D9E11 3.7 3.38 -8.63 -0.99 0
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387705 134986510 1 NOS2C14H15 ABC2D14E15 15.26 2.39 -8.5 -0.37 0
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387706 134986513 1 OF2H4N4C9 AB2C4D4E9 36.1 2.47 -10.69 -3.0 0
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387707 134986517 1 BrClNSO2C11H15 ABCDE2F11G15 -48.77 3.15 -9.36 -0.98 0
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387708 134986538 2 OC8H8 AB8C8 -35.06 3.78 -9.03 -0.53 0
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387709 134986541 1 ClIO2C5H10 ABC2D5E10 -93.26 1.28 -9.96 -1.06 0
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387710 134986542 2 O2C4H7 A2B4C7 -177.66 1.74 -9.83 1.41 0
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387711 134986543 1 OS2C9H10 AB2C9D10 1.8 3.44 -8.62 -0.1 0
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387713 134986554 1 ClNOH12C13 ABCD12E13 -11.85 2.23 -8.14 -0.36 0
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387714 134986556 1 SO4C13H24 AB4C13D24 -211.89 1.68 -9.08 -0.28 0
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387715 134986557 1 ClFN4H6C10 ABC4D6E10 84.26 3.03 -10.44 -2.81 0
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387716 134986558 1 NSiO2C12H19 ABC2D12E19 -105.18 5.93 -8.09 0.06 0
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387717 134986560 1 NO2C14H25 AB2C14D25 -117.67 4.29 -8.85 0.49 0
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387718 134986563 1 ClNO2C8H14 ABC2D8E14 -31.26 5.29 -10.52 -1.31 0
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387719 134986566 1 CrNF2H3O6C9 ABC2D3E6F9 -245.81 2.38 -9.1 -0.67 0
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387720 134986567 1 NOF2H3C4 ABC2D3E4 -62.47 4.02 -9.49 -0.23 0
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387721 134986586 1 SeO3C11H14 AB3C11D14 -103.05 1.34 -8.83 -0.57 0
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387723 134986589 1 NSiO2C13H25 ABC2D13E25 -114.94 4.76 -9.79 0.9 0
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387724 134986593 1 ClNO3C9H18 ABC3D9E18 -170.26 6.12 -8.74 0.36 0
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387725 134986599 1 PSO3C12H23 ABC3D12E23 -182.2 2.3 -8.38 0.23 0
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387726 134986605 2 OSC6H11 ABC6D11 -82.31 4.82 -8.82 -0.6 0
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387727 134986614 1 NPSiC6H16 ABCD6E16 -121.41 6.63 -8.2 0.9 0
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387728 134986615 1 ClMgPC8H16 ABCD8E16 -15.39 3.66 -7.52 -0.44 0
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387729 134986618 2 Cl2S2C5H6 A2B2C5D6 25.7 4.42 -8.5 -1.75 0
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387730 134986620 2 NSC4H4 ABC4D4 97.18 2.4 -9.24 -0.74 0
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387731 134986624 1 O4C11H20 A4B11C20 -208.89 1.38 -10.16 0.86 0
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387732 134986631 1 N4C15H18 A4B15C18 103.28 6.1 -10.48 -2.05 0
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387733 134986638 1 N2O3C11H14 A2B3C11D14 -14.5 9.95 -8.91 -1.04 0
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387734 134986639 1 NO3C13H15 AB3C13D15 -87.72 4.8 -9.91 -0.17 0
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387735 134986642 1 NO3C9H15 AB3C9D15 -134.62 2.99 -9.95 -0.46 0
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387736 134986645 1 IF2O2C13H21 AB2C2D13E21 -210.24 3.48 -9.96 -1.17 0
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387737 134986646 1 NO3C12H17 AB3C12D17 -119.63 3.06 -10.55 -0.11 0
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387738 134986648 2 OC4H8 AB4C8 -121.16 2.54 -9.83 1.94 0
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387739 134986649 1 SO4C6H10 AB4C6D10 -177.65 4.12 -8.94 0.05 0
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387740 134986650 1 OC7H14 AB7C14 -45.31 1.62 -9.47 2.2 0
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387741 134986680 1 F3O3C12H13 A3B3C12D13 -276.05 4.09 -9.49 -1.04 0
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387742 134986681 1 NO3C10H13 AB3C10D13 -28.44 2.92 -9.27 -0.78 0
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387743 134986682 1 N2Cl3C7H11 A2B3C7D11 -11.52 1.37 -9.31 -0.58 0
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387744 134986689 2 OSC5H9 ABC5D9 -108.76 2.84 -8.95 -0.04 0
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387745 134986691 1 ClO5C12H19 AB5C12D19 -220.78 1.64 -9.86 0.46 0
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387746 134986692 1 NOF3H8C13 ABC3D8E13 -135.49 4.79 -9.52 -1.2 0
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387747 134986697 1 O4C13H14 A4B13C14 -146.96 6.68 -9.51 -0.7 0
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387748 134986699 1 O2C15H30 A2B15C30 -148.39 2.52 -9.74 2.13 0
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387749 134986719 1 O3C13H18 A3B13C18 -98.23 3.84 -9.47 0.1 0
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387750 134986722 1 BrO3C9H13 AB3C9D13 -117.62 1.46 -10.47 -0.82 0
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387751 134986726 1 ClSiO2C12H23 ABC2D12E23 -164.36 3.17 -9.57 0.12 0
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387752 134986727 1 NOC14H27 ABC14D27 -62.5 4.21 -8.75 0.85 0
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387753 134986738 1 ClNO2C12H18 ABC2D12E18 -124.26 2.52 -9.74 0.13 0
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387754 134986742 1 O3C12H14 A3B12C14 -49.31 2.61 -9.26 -0.15 0
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387755 134986745 1 SiO2C15H32 AB2C15D32 -180.35 0.84 -8.73 0.82 0
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387756 134986746 1 N4O5C9H18 A4B5C9D18 -117.65 2.68 -9.28 -0.41 0
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387757 134986747 1 O3H10C13 A3B10C13 14.16 4.88 -8.98 -0.93 0
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387758 134986755 1 SSiN2O2C12H22 ABC2D2E12F22 -80.04 8.25 -8.97 -0.7 0
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387759 134986760 2 NOC6H7 ABC6D7 -16.44 3.64 -9.93 -0.78 1
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387760 134986761 1 N2O2C12H15 A2B2C12D15 -17.75 3.41 0.0 0.0 0
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387761 134986767 1 ClOSC10H19 ABCD10E19 -85.91 0.73 -9.04 -0.23 0
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387762 134986773 1 N2Cl3C9H15 A2B3C9D15 -20.6 1.12 -9.24 -0.56 0
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387763 134986775 1 NPO3C9H18 ABC3D9E18 -183.47 5.93 -9.6 1.13 0
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387764 134986798 1 SBr2Cl3H7C11 AB2C3D7E11 39.85 4.1 -9.1 -1.23 0
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387765 134986800 1 SSeC8H12 ABC8D12 48.84 2.6 -8.41 -0.27 0
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387766 134986802 1 N2O3C14H16 A2B3C14D16 -75.19 9.41 -9.34 -1.0 0
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387767 134986812 1 C13H16 A13B16 36.53 0.6 -9.13 0.32 0
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387768 134986822 1 S2C15H20 A2B15C20 35.51 2.3 -8.65 -0.31 0
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387769 134986844 1 OSCl2C7H10 ABC2D7E10 -51.06 3.05 -9.47 -1.55 0
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387770 134986850 1 NO3C13H19 AB3C13D19 -126.16 5.42 -10.32 0.18 0
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387771 134986854 2 OC6H9 AB6C9 -48.26 1.81 -9.13 0.21 0
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387773 134986859 1 O3C10H18 A3B10C18 -153.31 2.72 -9.61 1.98 0
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387774 134986860 1 BrNO2C9H10 ABC2D9E10 16.75 1.68 -10.17 -1.27 0
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387775 134986863 2 SC4H9 AB4C9 -32.78 2.75 -8.48 0.59 0
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387776 134986875 1 NC13H15 AB13C15 20.88 2.92 -8.98 -0.52 0
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387777 134986893 1 NSH15C16 ABC15D16 65.16 2.64 -8.07 -0.06 0
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387778 134986897 1 NOC12H15 ABC12D15 -36.25 3.57 -8.63 -0.03 0
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387779 134986904 1 NO2C13H15 AB2C13D15 -62.87 1.6 -8.43 -0.25 0
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387780 134986906 1 SN2O2C12H12 AB2C2D12E12 -23.38 2.84 -8.65 -0.45 0
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387781 134986908 1 O2N3H9C13 A2B3C9D13 39.53 3.52 -9.38 -1.36 0
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387782 134986913 1 INH10C12 ABC10D12 72.81 2.38 -9.21 -1.04 0
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387783 134986915 1 ON3C11H13 AB3C11D13 -6.3 5.11 -7.9 -0.67 0
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387784 134986916 1 IN2O2C9H15 AB2C2D9E15 -48.33 6.02 -8.4 -0.63 1
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387785 134986917 1 N2O2C9H15 A2B2C9D15 -55.48 3.2 0.0 0.0 0
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387786 134986918 1 ON2C14H16 AB2C14D16 -9.94 4.4 -8.7 -0.8 0
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387787 134986920 1 BPC15H26 ABC15D26 -29.85 2.26 -8.44 0.03 0
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387788 134986933 1 ION2C9H9 ABC2D9E9 35.28 4.12 -7.87 -1.96 0
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387789 134986936 1 NO4H11C13 AB4C11D13 -109.47 2.18 -9.24 -1.22 0
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387790 134986941 1 N2S2O3C12H18 A2B2C3D12E18 -116.99 4.93 -8.14 -0.94 0
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387791 134986942 1 NO3C14H17 AB3C14D17 -107.45 1.19 -8.47 -0.13 0
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387792 134986948 1 NBr2H9C12 AB2C9D12 54.29 5.33 -8.23 -1.55 0
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387793 134986951 1 NO2C10H11 AB2C10D11 -60.93 4.47 -8.87 -0.28 0
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387794 134986956 1 OSeH8C10 ABC8D10 -7.11 5.26 -8.77 -1.1 0
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387795 134986958 2 O2C7H8 A2B7C8 -133.98 3.2 -8.69 -0.28 0
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387796 134986959 1 O2N3C12H13 A2B3C12D13 -35.51 7.29 -9.19 -0.74 0