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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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409990 135082777 1 NS2O5C15H19 AB2C5D15E19 -124.03 30.88 -8.44 -2.52 1
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409991 135082778 1 NOSC15H18 ABCD15E18 -14.97 4.11 0.0 0.0 0
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409992 135082779 1 NS2O6C15H19 AB2C6D15E19 -184.92 19.21 -7.6 -1.41 1
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409993 135082780 1 NSO2C15H18 ABC2D15E18 -45.86 5.33 0.0 0.0 0
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409994 135082781 1 NSSeO4C18H19 ABCD4E18F19 -54.89 8.1 -8.56 -0.66 0
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409995 135082783 1 P2O6C7H14 A2B6C7D14 -326.23 2.88 -10.56 0.03 0
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409996 135082784 1 ClSC4H5 ABC4D5 32.17 2.76 -8.67 -0.15 0
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409997 135082785 1 ClNSC9H12 ABCD9E12 36.25 3.36 -9.43 -0.86 0
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409998 135082786 1 ClPC17H20 ABC17D20 -3.37 6.36 -8.95 0.01 0
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409999 135082787 1 ClPC18H22 ABC18D22 -4.87 6.71 -8.87 0.03 0
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410000 135082788 1 AsAuNO2H19C24 ABCD2E19F24 324.96 4.53 -8.16 -3.81 0
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410001 135082789 1 AuO2N3H12C18 AB2C3D12E18 195.33 5.85 -9.43 -1.46 5
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410010 135082798 1 Au4P4H79C81 A4B4C79D81 546.07 10.24 0.0 0.0 0
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410014 135082803 1 AuN5O6H14C20 AB5C6D14E20 166.94 3.58 -9.21 -2.35 0
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410015 135082804 1 BiSiC17H21 ABC17D21 57.53 1.24 -8.46 0.17 -4
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410016 135082805 2 AuBrC8H18 ABC8D18 159.03 5.44 -5.43 -3.41 0
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410017 135082806 1 AuPF3H15C21 ABC3D15E21 42.65 5.55 -8.88 -1.12 0
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410018 135082807 1 AuPH20C22 ABC20D22 269.8 2.0 -8.76 -1.02 -4
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410021 135082810 1 AuPO2C26H28 ABC2D26E28 1.14 6.47 -8.86 -0.98 0
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410022 135082811 1 AsAuO2H22C23 ABC2D22E23 140.39 9.88 -8.87 -2.93 0
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410023 135082812 1 AuClP2C26H58 ABC2D26E58 -47.71 14.95 -5.71 -0.58 0
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410024 135082813 1 AsC2N2H3 AB2C2D3 80.4 2.1 -8.88 -0.28 0
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410025 135082814 2 NPO2H13C14 ABC2D13E14 -159.22 4.07 -8.41 -0.54 0
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410026 135082815 1 ON5C10H13 AB5C10D13 44.25 4.07 -9.26 -0.72 0
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410027 135082816 1 ON8C17H18 AB8C17D18 140.94 4.12 -9.23 -0.78 0
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410028 135082817 1 AlClP2N4O4C56H58 ABC2D4E4F56G58 -160.14 7.03 -8.21 -0.54 0
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410031 135082820 1 N2O2H8C13 A2B2C8D13 42.22 2.55 -9.55 -1.55 1
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410032 135082821 1 N2O2H9C13 A2B2C9D13 34.13 7.01 0.0 0.0 0
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410033 135082822 1 O2N3H7C8 A2B3C7D8 6.48 3.06 -9.49 -1.51 1
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410034 135082823 1 O2N3C8H8 A2B3C8D8 -2.66 6.3 0.0 0.0 0
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410035 135082824 1 ClFNOC13H15 ABCDE13F15 -63.39 4.42 -8.26 -0.15 0
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410036 135082825 1 BC16H27 AB16C27 -39.7 0.33 -9.09 0.65 0
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410037 135082826 1 BC18H35 AB18C35 -65.49 0.28 -9.1 0.54 0
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410038 135082827 1 SN2O4C6H8 AB2C4D6E8 -129.03 1.36 -10.51 -0.81 0
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410039 135082828 1 SN2O4H10C11 AB2C4D10E11 -96.02 4.9 -10.37 -0.92 0
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410040 135082829 1 BrSC14H15 ABC14D15 49.1 5.57 -7.57 -0.49 0
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410041 135082830 1 HOC8F13 ABC8D13 -680.63 2.28 -10.99 -1.29 0
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410042 135082831 1 OC9H16 AB9C16 -74.78 3.78 -9.74 0.77 0
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410043 135082832 1 BC9H17 AB9C17 -34.93 0.78 -8.89 0.65 0
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410044 135082833 1 BC11H13 AB11C13 15.41 0.69 -8.97 -0.31 0
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410045 135082834 1 BC10H15 AB10C15 7.05 0.59 -8.5 0.78 3
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410046 135082835 1 BFeO3C16H20 ABC3D16E20 65.88 3.7 0.0 0.0 0
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410047 135082836 1 BNPSiC23H33 ABCDE23F33 -133.54 4.16 -7.54 -0.1 0
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410048 135082837 1 NB2Si2C12H29 AB2C2D12E29 -132.68 0.87 -8.0 1.04 1
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410049 135082838 1 KNC10H12 ABC10D12 37.19 8.16 -5.63 0.12 0
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410050 135082839 1 NC10H12 AB10C12 52.67 1.59 0.0 0.0 1
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410051 135082840 1 KNC16H16 ABC16D16 44.02 9.17 -5.94 -0.09 0
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410052 135082841 1 NC16H16 AB16C16 72.23 1.8 0.0 0.0 0
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410053 135082842 1 FeN4O10H30C34 AB4C10D30E34 -153.15 9.73 -8.88 -2.1 0
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410054 135082843 1 ZnN4H32C44 AB4C32D44 359.99 4.56 -8.5 -1.6 0