List Systems

Back
Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
338020 127258651 1 NO3C11H21 AB3C11D21 -167.22 2.0 -9.81 0.55 0
338021 127258652 1 NO3C14H17 AB3C14D17 -104.14 3.57 -9.7 -0.46 0
338022 127258653 1 NO3C17H17 AB3C17D17 -75.34 4.58 -9.6 -0.18 0
338023 127258654 1 NO3C11H21 AB3C11D21 -168.72 1.66 -9.82 0.53 0
338024 127258655 1 NO3C15H21 AB3C15D21 -131.25 1.48 -9.32 0.41 0
338025 127258656 1 N2O3C10H18 A2B3C10D18 -158.75 5.1 -9.59 0.75 0
338026 127258657 1 N2O3C15H20 A2B3C15D20 -119.3 5.38 -9.44 -0.02 0
338027 127258658 1 NO3C9H17 AB3C9D17 -157.67 1.91 -9.86 0.51 0
338028 127258659 1 NO4H15C16 AB4C15D16 -114.15 5.23 -9.61 -1.04 0
338029 127258660 1 NO3C11H23 AB3C11D23 -181.27 1.98 -9.44 1.08 0
338030 127258661 1 NO3C7H15 AB3C7D15 -154.13 3.06 -9.72 0.67 0
338031 127258662 1 NO3C14H21 AB3C14D21 -140.24 3.13 -9.3 0.42 0
338032 127258663 1 NO3C11H15 AB3C11D15 -116.0 1.84 -9.41 0.23 0
338033 127258664 1 NO3C7H13 AB3C7D13 -124.59 1.97 -9.86 0.59 0
338034 127258665 1 N2O2H16C17 A2B2C16D17 -21.37 2.32 -8.35 -0.23 0
338035 127258666 1 NO3C18H19 AB3C18D19 -88.03 4.84 -9.55 -0.5 0
338036 127258667 2 NOC4H8 ABC4D8 -105.99 0.97 -8.61 0.75 0
338037 127258668 1 NO2C14H19 AB2C14D19 -70.22 2.38 -9.62 0.03 0
338038 127258669 1 NO2C9H13 AB2C9D13 -56.81 2.21 -9.78 0.32 0
338039 127258670 1 NO4H9C11 AB4C9D11 -131.07 3.85 -9.31 -0.92 0
338040 127258671 1 NO4H9C11 AB4C9D11 -131.45 5.68 -9.36 -0.91 0
338041 127258672 1 NO3C18H19 AB3C18D19 -83.59 2.38 -9.35 -0.31 0
338042 127258673 1 NO2C11H13 AB2C11D13 -54.63 2.12 -9.51 0.24 0
338043 127258674 1 NO2C13H19 AB2C13D19 -98.07 2.1 -9.31 0.37 0
338044 127258675 1 NO2C15H21 AB2C15D21 -75.15 2.85 -9.67 -0.01 0
338045 127258676 1 NO2C16H23 AB2C16D23 -79.39 2.5 -9.63 0.02 0
338046 127258677 1 ClNO3C27H34 ABC3D27E34 -141.03 1.79 -8.89 -0.45 0
338047 127258678 1 NO3C17H35 AB3C17D35 -217.22 0.96 -10.44 0.99 0
338048 127258679 1 ClO3C7H13 AB3C7D13 -172.63 3.23 -10.77 0.15 0
338049 127258680 1 O4C13H18 A4B13C18 -174.64 2.24 -8.85 0.35 0
338050 127258681 1 SO6C9H18 AB6C9D18 -293.28 1.38 -10.8 0.1 0
338051 127258682 1 SO6C14H20 AB6C14D20 -257.39 6.43 -10.46 -0.89 0
338052 127258683 1 NSO7C15H19 ABC7D15E19 -278.79 3.52 -9.75 -0.81 0
338053 127258684 1 SO6C15H22 AB6C15D22 -268.29 6.08 -10.32 -0.68 0
338054 127258685 1 NSO7C16H21 ABC7D16E21 -290.57 5.96 -9.69 -0.84 0
338055 127258686 1 INO4C10H16 ABC4D10E16 -171.67 5.1 -9.29 -1.19 0
338056 127258687 1 INO4C10H16 ABC4D10E16 -178.4 6.59 -10.01 -1.34 0
338057 127258688 1 IO3C8H15 AB3C8D15 -152.83 2.89 -9.87 -0.89 0
338058 127258689 1 INO4C9H14 ABC4D9E14 -169.38 6.35 -10.09 -1.36 0
338059 127258690 2 OC7H12 AB7C12 -104.06 2.7 -9.37 0.6 0
338060 127258691 1 O3C19H22 A3B19C22 -99.97 2.94 -8.93 0.05 0
338061 127258692 1 NSO3C13H17 ABC3D13E17 -72.54 4.75 -8.62 -0.86 0
338062 127258693 1 O4C13H16 A4B13C16 -158.74 1.16 -9.41 -0.27 0
338063 127258694 1 NSO4C18H19 ABC4D18E19 -67.16 7.8 -8.86 -1.36 0
338064 127258695 1 NO3C11H17 AB3C11D17 -133.63 4.71 -9.09 0.34 0
338065 127258696 1 NO3C12H13 AB3C12D13 -89.15 4.53 -9.61 -0.62 0
338066 127258697 1 NO3C10H15 AB3C10D15 -131.41 4.99 -8.61 0.44 0
338067 127258698 1 NO4C10H13 AB4C10D13 -176.61 5.04 -9.51 -0.14 0
338068 127258699 1 N2O3C14H18 A2B3C14D18 -89.9 4.98 -8.71 -0.22 0
338069 127258700 1 SN2O3C18H18 AB2C3D18E18 -48.54 2.65 -8.49 -0.69 0
338070 127258701 1 SN3O3C13H13 AB3C3D13E13 -36.6 2.75 -9.19 -1.09 0
338071 127258702 1 NO3C12H13 AB3C12D13 -85.82 1.81 -9.37 -0.48 0
338072 127258703 1 NO4C9H15 AB4C9D15 -142.13 3.8 -9.72 0.2 0
338073 127258704 1 NO4C9H13 AB4C9D13 -113.36 1.97 -9.92 0.02 0
338074 127258705 1 NO4C9H11 AB4C9D11 -81.3 3.36 -10.14 0.18 0
338075 127258706 1 NO4C9H11 AB4C9D11 -85.03 2.74 -10.24 0.11 0
338076 127258707 1 SN2O6C12H14 AB2C6D12E14 -191.73 7.27 -9.66 -1.04 0
338077 127258708 1 NO4C14H17 AB4C14D17 -162.96 2.67 -9.57 -0.04 0
338078 127258709 1 SO4C14H18 AB4C14D18 -147.86 8.12 -8.74 -0.38 0
338079 127258710 1 NO2C24H49 AB2C24D49 -185.16 2.59 -8.64 0.86 0
338080 127258711 1 NO2C16H33 AB2C16D33 -160.17 2.54 -9.42 0.76 0
338081 127258712 1 NO2C22H45 AB2C22D45 -190.18 2.53 -9.42 0.76 0
338082 127258713 1 ClNO2C11H16 ABC2D11E16 -116.84 2.8 -8.5 0.3 0
338083 127258714 1 ClNO4C12H20 ABC4D12E20 -166.23 3.07 -10.08 0.19 0
338084 127258715 1 ClO3C8H15 AB3C8D15 -176.68 3.15 -10.39 0.45 0
338085 127258716 1 ClO3C8H15 AB3C8D15 -171.78 1.48 -10.56 0.51 0
338086 127258717 1 ClO3C8H15 AB3C8D15 -171.77 1.5 -10.57 0.51 0
338087 127258718 1 ClO3C11H21 AB3C11D21 -188.47 1.72 -10.58 0.54 0
338088 127258719 1 ClO3C12H23 AB3C12D23 -193.75 3.34 -10.52 0.51 0
338089 127258720 1 ClO3C8H13 AB3C8D13 -163.01 3.38 -10.46 0.44 0
338090 127258721 1 ClO3C10H17 AB3C10D17 -172.03 4.52 -10.26 0.48 0
338091 127258722 1 ClO3C9H15 AB3C9D15 -166.47 4.25 -10.31 0.48 0
338092 127258723 1 ClNO4C11H18 ABC4D11E18 -161.4 4.03 -10.03 0.3 0
338093 127258724 1 ClO3C18H33 AB3C18D33 -210.87 3.79 -10.15 0.58 0
338094 127258725 1 NO4C9H19 AB4C9D19 -221.47 2.94 -10.23 0.85 0