List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
3722 10068 2 O3C12H16 A3B12C16 -266.27 3.56 -9.74 -0.96 0
3723 10070 2 O4C15H23 A4B15C23 -388.45 5.69 -9.96 -0.56 0
3724 10072 1 NOC21H27 ABC21D27 -0.4 3.58 -8.79 0.1 0
3725 10073 2 NOC11H15 ABC11D15 -78.98 3.13 -8.33 0.04 0
3726 10074 1 NO3C16H19 AB3C16D19 -83.91 3.42 -9.02 -0.12 0
3727 10076 1 NO3C16H17 AB3C16D17 -59.81 3.15 -8.63 0.01 0
3728 10077 1 NO3C17H19 AB3C17D19 -93.33 5.29 -8.57 -0.04 0
3729 10078 1 NO3C17H19 AB3C17D19 -67.67 1.66 -8.38 0.09 0
3731 10081 1 SN2O2C13H16 AB2C2D13E16 -39.57 4.36 -9.97 -1.0 0
3732 10082 2 NOSC6H10 ABCD6E10 -84.34 4.21 -8.69 -1.12 0
3733 10083 1 NOC18H21 ABC18D21 -5.27 2.76 -9.2 0.18 0
3734 10086 1 NO3C20H29 AB3C20D29 -135.81 1.51 -8.83 0.1 0
3735 10088 1 O5C35H52 A5B35C52 -282.03 4.01 -9.35 0.03 0
3736 10089 1 NO2C23H29 AB2C23D29 -40.73 4.52 -8.71 -0.04 0
3737 10090 1 NOC20H25 ABC20D25 0.85 3.78 -8.61 0.01 0
3738 10091 1 O9C31H46 A9B31C46 -418.67 6.65 -9.56 -0.82 0
3739 10092 1 O6C23H32 A6B23C32 -275.69 4.55 -9.96 -0.83 0
3740 10094 1 O5C23H34 A5B23C34 -249.73 4.01 -10.12 -0.51 0
3741 10096 1 NO4C24H39 AB4C24D39 -217.14 3.06 -8.73 -0.09 0
3742 10097 1 ClO6C17H17 AB6C17D17 -205.84 4.14 -8.86 -0.52 0
3743 10099 3 C5H8 A5B8 -33.75 0.3 -8.92 1.64 0
3744 10100 1 NO2C22H29 AB2C22D29 -61.67 2.47 -8.61 0.2 0
3745 10101 1 NO2C15H21 AB2C15D21 -76.73 3.28 -8.76 -0.11 0
3746 10105 1 O3C10H20 A3B10C20 -166.69 1.59 -9.66 1.55 0
3747 10106 1 OC10H18 AB10C18 -72.14 1.52 -9.68 2.73 0
3748 10107 1 PCl3O4C12H14 AB3C4D12E14 -241.81 1.92 -9.63 -0.82 0
3749 10108 1 OC9H14 AB9C14 -59.65 3.4 -9.66 0.75 0
3750 10110 1 H2O2C3 A2B2C3 -23.23 4.97 -11.55 -0.54 0
3751 10111 1 C2N3H7 A2B3C7 13.62 2.07 -9.36 1.2 0
3752 10112 1 CCaO3 ABC3 -140.52 12.32 -9.71 -1.99 0
3753 10113 2 CNOH2 ABCD2 -82.45 0.01 -10.45 -0.36 0
3754 10114 2 O2C15H23 A2B15C23 -242.73 4.1 -9.59 -0.01 0
3755 10115 2 C15H26 A15B26 -96.31 0.25 -9.51 3.7 0
3756 10116 2 OC10H15 AB10C15 -111.6 5.2 -9.44 0.76 0
3757 10117 2 OC10H15 AB10C15 -122.09 5.0 -8.28 0.73 0
3758 10121 8 C5H7 A5B7 48.02 1.44 -7.9 0.03 0
3759 10123 3 C5H8 A5B8 -23.36 0.73 -9.01 1.4 0
3760 10129 2 C5H9 A5B9 -18.62 0.28 -10.01 3.79 0
3761 10130 1 O3C10H16 A3B10C16 -148.92 5.25 -10.13 0.55 0
3762 10132 1 H2C3O5 A2B3C5 -173.84 4.32 -11.04 -2.56 0
3763 10133 4 OC6H10 AB6C10 -248.14 5.41 -10.06 0.62 0
3764 10136 1 NO7C33H49 AB7C33D49 -335.5 6.06 -8.59 0.84 0
3765 10137 3 C5H8 A5B8 26.06 0.94 -9.6 1.52 0
3766 10139 1 F2Cl3H9C14 A2B3C9D14 -73.42 1.33 -9.82 -0.68 0
3767 10141 2 O2H3C5 A2B3C5 -107.4 2.32 -9.19 -2.01 0
3768 10143 1 NO4C20H23 AB4C20D23 -111.05 5.3 -8.07 -0.31 0
3769 10145 1 NO4C21H25 AB4C21D25 -108.24 2.78 -7.94 -0.2 0
3770 10147 1 NO5H19C20 AB5C19D20 -133.51 1.67 -8.63 -0.2 0
3771 10150 1 O6H10C15 A6B10C15 -205.83 2.7 -9.04 -1.9 0
3772 10153 1 NO4C20H23 AB4C20D23 -107.25 0.18 -8.02 -0.11 0
3773 10154 1 NO4C19H21 AB4C19D21 -116.58 2.79 -8.03 -0.32 0
3774 10156 1 NO6C21H23 AB6C21D23 -177.63 8.27 -8.78 -0.45 0
3775 10157 1 O7C21H24 A7B21C24 -291.65 5.88 -9.25 -1.1 0
3776 10165 1 NO5C21H25 AB5C21D25 -154.9 2.37 -8.19 0.26 0
3777 10166 4 OC4H4 AB4C4 -120.08 3.75 -9.42 -1.65 0
3778 10167 1 O5H10C13 A5B10C13 -130.07 4.74 -8.37 -0.69 0
3779 10168 1 O6H8C15 A6B8C15 -180.47 2.89 -9.74 -2.31 0
3780 10169 1 O7H8C15 A7B8C15 -228.75 4.67 -9.87 -2.24 0
3781 10172 1 NO2C15H15 AB2C15D15 -50.02 7.19 -8.29 -0.22 0
3782 10174 1 O5H8C15 A5B8C15 -109.84 6.87 -8.75 -1.59 0
3783 10175 2 O2H6C7 A2B6C7 -124.35 4.08 -9.51 -0.57 0
3784 10183 2 O4H6C7 A4B6C7 -303.85 5.52 -9.19 -1.74 0
3785 10196 1 NO5C18H23 AB5C18D23 -177.78 5.46 -8.95 0.23 0
3786 10197 1 NO5C15H25 AB5C15D25 -235.1 3.87 -9.25 0.09 0
3787 10198 1 NO2C8H13 AB2C8D13 -77.59 1.98 -9.05 0.66 0
3788 10200 1 NSH7C8 ABC7D8 42.0 2.41 -8.1 -0.2 0
3789 10202 3 C9H16 A9B16 -95.85 0.17 -9.88 3.77 0
3790 10203 1 O2C19H30 A2B19C30 -142.76 2.35 -9.7 0.74 0
3791 10205 1 O3H8C11 A3B8C11 -70.17 2.52 -9.63 -1.7 0
3792 10207 5 OH2C3 AB2C3 -150.23 2.23 -9.45 -1.86 0
3793 10210 2 O2H5C7 A2B5C7 -124.44 4.54 -10.0 -0.78 0
3794 10212 2 O2H7C8 A2B7C8 -86.64 5.93 -8.57 -1.16 0
3795 10214 1 SP2N5C10O13H15 AB2C5D10E13F15 -622.93 8.97 -9.55 -1.61 0
3796 10218 2 NO2C14H19 AB2C14D19 -142.3 4.8 -8.4 0.06 0
3797 10219 1 N2O4C29H40 A2B4C29D40 -132.17 1.86 -7.88 0.08 0