List Systems

Back
Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
295750 117543604 1 NOH9C12 ABC9D12 60.3 4.21 -8.56 -0.66 0
295751 117543605 1 O2C13H14 A2B13C14 -12.88 6.16 -8.71 -0.61 0
295752 117543635 1 NO3C15H17 AB3C15D17 -95.02 3.55 -8.75 -0.12 0
295753 117543699 1 ClOC9H17 ABC9D17 -98.68 2.59 -10.4 0.78 0
295754 117543700 1 ClOC8H15 ABC8D15 -90.72 1.57 -10.39 0.74 0
295755 117543701 1 ClO3C11H15 AB3C11D15 -133.05 3.07 -9.0 -0.06 0
295756 117543703 1 NOC8H9 ABC8D9 15.04 2.98 -10.2 -0.26 0
295757 117543704 1 ClOC9H9 ABC9D9 -5.27 1.93 -9.61 -0.27 0
295758 117543705 1 OC12H16 AB12C16 -14.23 2.72 -9.22 0.27 0
295759 117543712 1 O3C12H16 A3B12C16 -82.18 2.78 -8.18 0.09 0
295760 117543713 1 O3C12H14 A3B12C14 -72.37 3.53 -8.75 0.01 0
295761 117543716 1 FO2C10H11 AB2C10D11 -79.76 1.35 -8.95 -0.16 0
295762 117543734 1 ON2C12H18 AB2C12D18 -30.57 3.44 -9.09 -0.09 0
295763 117543760 1 FNOC13H18 ABCD13E18 -88.8 1.36 -9.03 -0.02 0
295764 117543761 1 ON2C15H20 AB2C15D20 -22.97 1.8 -8.4 0.06 0
295765 117543762 1 NO2C16H25 AB2C16D25 -96.38 1.56 -8.54 0.38 0
295766 117543763 1 FNO2C14H20 ABC2D14E20 -124.73 0.7 -8.78 -0.01 0
295767 117543772 1 NO2C16H25 AB2C16D25 -92.67 3.57 -8.51 0.4 0
295768 117543819 1 NO2C15H21 AB2C15D21 -74.06 4.37 -8.59 0.26 0
295769 117543840 2 NC7H11 AB7C11 -0.07 2.21 -8.63 0.48 0
295770 117543858 2 NOC7H10 ABC7D10 -56.16 2.23 -8.62 0.02 0
295771 117543888 1 ON2C12H18 AB2C12D18 -32.82 2.6 -8.89 -0.03 0
295772 117543895 1 FNOC13H18 ABCD13E18 -88.62 2.49 -8.87 0.04 0
295773 117543904 1 NOC16H25 ABC16D25 -60.61 2.57 -8.78 0.46 0
295774 117543906 1 NO2C15H23 AB2C15D23 -89.7 3.89 -8.7 0.34 0
295775 117543919 1 NO2C16H25 AB2C16D25 -97.99 2.03 -8.52 0.4 0
295776 117543926 1 NOC15H23 ABC15D23 -59.32 2.65 -8.72 0.45 0
295777 117543963 1 NO3C14H17 AB3C14D17 -91.82 3.54 -8.72 -0.08 0
295778 117543965 1 NO3C15H21 AB3C15D21 -110.06 4.92 -8.58 0.32 0
295779 117543972 1 FNO2C14H18 ABC2D14E18 -111.96 3.62 -8.83 -0.06 0
295780 117543975 1 FNO2C14H18 ABC2D14E18 -111.32 2.82 -8.89 -0.26 0
295781 117544004 1 ON2C14H22 AB2C14D22 -32.91 2.84 -8.57 0.34 0
295782 117544006 1 ClN2C13H19 AB2C13D19 -3.31 1.64 -8.82 0.0 0
295783 117544009 1 N3C15H25 A3B15C25 8.11 1.8 -8.04 0.55 0
295784 117544021 1 FN2C13H19 AB2C13D19 -41.36 1.5 -8.8 0.02 0
295785 117544028 1 ON2C15H24 AB2C15D24 -41.67 1.52 -8.39 0.49 0
295786 117544035 2 NC4H9 AB4C9 -24.24 2.43 -8.52 2.76 0
295787 117544038 2 NC5H11 AB5C11 -33.84 2.22 -8.52 2.78 0
295788 117544039 1 N2C11H24 A2B11C24 -39.66 2.25 -8.51 2.79 0
295789 117544040 1 N2C13H26 A2B13C26 -40.36 1.97 -8.47 2.72 0
295790 117544056 1 NO2C15H23 AB2C15D23 -85.0 1.69 -8.69 0.34 0
295791 117544057 1 NO2C15H23 AB2C15D23 -84.14 2.18 -8.62 0.32 0
295792 117544069 1 FNOC14H20 ABCD14E20 -92.52 2.12 -8.82 0.02 0
295793 117544070 1 ON2C16H22 AB2C16D22 -26.51 2.6 -8.38 0.06 0
295794 117544089 1 ON2C13H18 AB2C13D18 -18.59 2.12 -8.97 -0.16 0
295795 117544122 1 NOC11H21 ABC11D21 -68.85 2.74 -8.59 0.64 0
295796 117544197 1 NOC16H25 ABC16D25 -64.05 1.54 -8.74 0.64 0
295797 117544202 1 NOC11H23 ABC11D23 -88.54 2.02 -8.63 2.65 0
295798 117544258 1 NO2C15H23 AB2C15D23 -82.85 3.23 -8.77 0.27 0
295799 117544294 1 NOC15H21 ABC15D21 -39.53 3.4 -8.78 0.46 0
295800 117544308 1 NO2C16H23 AB2C16D23 -78.0 4.03 -8.63 0.37 0
295801 117544310 1 NO3C15H19 AB3C15D19 -94.69 3.63 -8.67 0.05 0
295802 117544314 1 FNOC14H18 ABCD14E18 -78.83 3.92 -8.93 0.01 0
295803 117544340 1 FN2C14H21 AB2C14D21 -44.54 2.59 -8.57 -0.07 0
295804 117544341 2 NC8H13 AB8C13 -10.37 2.55 -8.54 0.66 0
295805 117544385 1 FNO4C12H12 ABC4D12E12 -188.58 5.72 -9.45 -0.69 0
295806 117544493 1 ClN2C14H21 AB2C14D21 -3.9 1.67 -8.91 -0.04 0
295807 117544546 1 NO2C16H25 AB2C16D25 -92.09 2.34 -8.49 0.37 0
295808 117544637 2 NC6H13 AB6C13 -43.15 0.43 -8.38 2.74 0
295809 117544681 1 SCl2N2H8C10 AB2C2D8E10 34.09 1.98 -8.64 -0.91 0
295810 117544709 1 SN2O2C12H12 AB2C2D12E12 -12.78 2.11 -8.2 -0.82 0
295811 117544742 1 BrSN2H9C10 ABC2D9E10 53.41 2.86 -8.55 -0.98 0
295812 117544743 1 SN2O2C13H16 AB2C2D13E16 -38.71 3.24 -8.0 -0.53 0
295813 117544777 1 O4C13H16 A4B13C16 -140.93 7.3 -8.84 -0.25 0
295814 117544785 2 O2C7H8 A2B7C8 -135.76 6.93 -8.85 -0.38 0
295815 117544865 1 SO2C12H16 AB2C12D16 -68.07 2.35 -8.66 0.1 0
295816 117544869 1 SO2C13H18 AB2C13D18 -71.53 2.55 -8.69 0.14 0
295817 117544912 1 NSC12H15 ABC12D15 15.25 3.28 -8.45 -0.01 0
295818 117544913 1 OSC13H20 ABC13D20 -58.12 3.81 -8.61 0.24 0
295819 117544956 1 SN2C13H16 AB2C13D16 35.27 3.17 -8.89 -0.58 0
295820 117544961 1 ClSN2C12H13 ABC2D12E13 35.06 1.33 -9.22 -0.93 0
295821 117544962 1 SN2C15H20 AB2C15D20 26.08 3.09 -8.88 -0.61 0
295822 117544963 1 SN3C14H19 AB3C14D19 44.87 4.83 -8.14 -0.44 0
295823 117544965 1 OSN2C14H18 ABC2D14E18 -2.51 3.81 -8.62 -0.55 0
295824 117544967 1 BrSN2C12H13 ABC2D12E13 47.07 1.33 -9.23 -0.94 0