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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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382574 134973821 1 O3C10H16 A3B10C16 -120.97 1.86 -9.27 0.05 0
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382575 134973822 1 O7C17H20 A7B17C20 -254.16 6.07 -10.3 -0.95 0
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382576 134973823 1 O3C17H26 A3B17C26 -131.21 4.92 -10.02 -0.1 0
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382577 134973826 1 O3C18H34 A3B18C34 -198.5 2.95 -9.35 1.93 0
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382578 134973828 1 O3C18H34 A3B18C34 -199.36 1.61 -9.49 2.04 0
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382579 134973832 1 NOH19C23 ABC19D23 28.65 5.4 -9.11 -0.55 0
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382580 134973833 1 NO5C27H27 AB5C27D27 -132.6 5.24 -8.29 -1.44 0
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382581 134973836 1 NOH27C30 ABC27D30 34.7 4.45 -9.09 -0.42 0
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382582 134973837 1 NO3H21C24 AB3C21D24 -51.9 2.09 -8.68 -1.15 0
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382583 134973839 1 NO4H23C26 AB4C23D26 -108.48 5.87 -9.09 -1.45 0
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382584 134973841 1 SiO4C26H42 AB4C26D42 -205.93 6.86 -8.67 -0.59 0
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382585 134973842 1 O2C29H46 A2B29C46 -155.28 0.76 -9.2 0.87 0
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382586 134973844 1 NOC11H13 ABC11D13 2.68 3.9 -9.45 -0.47 0
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382587 134973845 1 IN2O3H17C19 AB2C3D17E19 44.98 8.24 -8.84 -1.26 0
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382588 134973846 2 OH11C12 AB11C12 30.8 3.97 -8.57 -0.56 0
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382591 134973849 1 NO2C20H33 AB2C20D33 -134.06 5.59 -8.7 0.95 0
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382592 134973850 1 N5O8C17H19 A5B8C17D19 -224.76 4.38 -9.46 -1.53 0
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382593 134973851 1 O5C11H14 A5B11C14 -197.73 5.44 -10.28 -0.04 0
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382594 134973852 1 N3O3C19H19 A3B3C19D19 -85.5 3.72 -8.99 -0.69 0
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382595 134973853 1 O11C62H64 A11B62C64 -306.19 6.46 -8.9 -0.74 0
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382596 134973854 1 O11C62H64 A11B62C64 -312.19 10.82 -8.87 -0.54 0
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382597 134973855 1 O4C27H30 A4B27C30 -84.36 5.08 -8.84 0.12 0
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382598 134973856 1 OC7H12 AB7C12 -23.29 3.1 -9.73 0.94 0
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382599 134973857 1 BrN2O4C21H29 AB2C4D21E29 -173.7 2.15 -8.8 -0.44 0
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382601 134973861 1 YN4O4H26C31 AB4C4D26E31 -8.95 10.08 0.0 0.0 0
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382602 134973862 1 N4O4H28C31 A4B4C28D31 -29.89 3.39 -8.79 -0.51 0
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382603 134973864 2 O2C9H10 A2B9C10 -106.97 3.96 -9.07 -0.1 1
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382604 134973865 1 PO4C36H36 AB4C36D36 -30.54 12.13 0.0 0.0 0
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382605 134973866 1 PO4H35C36 AB4C35D36 -43.86 8.18 -7.86 -0.38 0
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382606 134973867 2 O2C9H10 A2B9C10 -94.53 5.52 -8.57 -1.12 2
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382609 134973872 1 N4O6H30C39 A4B6C30D39 -50.15 3.01 -8.29 -1.65 0
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382610 134973873 1 PO7H15C18 AB7C15D18 -245.21 5.88 -8.7 -0.13 0
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382611 134973875 1 NOBr2C14H15 ABC2D14E15 -8.2 2.91 -9.52 -0.62 0
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382612 134973876 1 BrNSO6C22H28 ABCD6E22F28 -214.75 4.08 -8.54 -0.47 0
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382613 134973877 1 BrSN2O6C27H33 ABC2D6E27F33 -222.97 3.33 -8.74 -0.51 0
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382614 134973878 1 NH17C19 AB17C19 60.99 2.0 -9.02 -0.44 0
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382615 134973879 1 O7C34H62 A7B34C62 -418.36 4.71 -9.43 1.41 0
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382616 134973880 1 O3C18H34 A3B18C34 -200.9 1.34 -9.49 2.1 0
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382617 134973881 10 OC5H9 AB5C9 -600.1 4.63 -9.24 1.82 0
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382618 134973883 1 CrNO6H15C16 ABC6D15E16 -204.06 6.66 -7.94 -0.85 0
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382619 134973887 1 SN2O3C16H16 AB2C3D16E16 -72.45 3.07 -8.16 -0.53 0
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382620 134973888 2 C5H8 A5B8 32.84 1.27 -9.53 1.36 0
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382621 134973889 1 O3C16H18 A3B16C18 -106.32 4.64 -9.08 -0.42 0
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382622 134973890 1 O3C11H16 A3B11C16 -139.63 5.24 -9.77 -0.04 0
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382623 134973891 1 NO4C13H17 AB4C13D17 -92.55 2.73 -9.73 -0.44 0
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382624 134973892 1 O5H14C15 A5B14C15 -98.42 7.35 -8.91 -0.95 1
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382625 134973895 1 NSiO3C20H38 ABC3D20E38 -163.91 3.59 0.0 0.0 0
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382626 134973898 1 NSiO3C19H31 ABC3D19E31 -168.47 3.82 -9.19 0.32 0
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382627 134973899 1 NO7C22H29 AB7C22D29 -263.39 7.69 -9.24 -0.39 0
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382628 134973900 4 O2C8H9 A2B8C9 -258.31 3.38 -8.7 -0.31 0