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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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238621 92763426 1 ON3C10H19 AB3C10D19 -37.19 2.19 -9.16 0.68 0
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238622 92763429 1 SN2C7H12 AB2C7D12 17.07 2.42 -8.97 -0.39 0
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238623 92763432 1 N2C13H28 A2B13C28 -27.35 1.59 -8.35 2.59 0
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238624 92763433 1 OSN2C7H12 ABC2D7E12 -19.39 2.96 -9.19 -0.2 0
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238625 92763434 1 OSN2C7H12 ABC2D7E12 -19.4 1.79 -9.3 -0.33 0
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238626 92763436 1 N2O3C29H38 A2B3C29D38 -80.8 3.48 -8.66 -0.5 0
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238627 92763441 2 NO2C13H17 AB2C13D17 -111.6 4.75 -8.62 -0.43 0
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238628 92763446 1 SN2C8H14 AB2C8D14 20.51 1.11 -9.11 -0.31 0
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238629 92763447 1 SN2C8H14 AB2C8D14 18.58 1.07 -8.89 -0.46 0
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238630 92763449 1 OSN2C7H12 ABC2D7E12 -16.71 2.91 -9.29 -0.71 0
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238631 92763897 1 SO3N4H10C14 AB3C4D10E14 -2.15 5.64 -9.76 -1.73 1
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238632 92763909 1 ClN2O3H14C16 AB2C3D14E16 -20.73 5.27 0.0 0.0 0
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238633 92763925 1 O3N7C31H39 A3B7C31D39 -11.05 6.68 -8.62 -1.15 0
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238634 92763949 1 SN2O4C18H18 AB2C4D18E18 -117.87 8.69 -8.85 -0.67 1
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238635 92763991 1 N3O3H14C17 A3B3C14D17 51.97 8.53 0.0 0.0 0
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238636 92763998 1 SN2O2C20H20 AB2C2D20E20 -20.29 8.7 -9.34 -1.27 0
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238637 92764006 1 ClSN2O3H17C18 ABC2D3E17F18 -87.31 6.07 -8.78 -0.48 0
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238638 92764076 1 SN2F3O3H13C17 AB2C3D3E13F17 -202.93 9.26 -9.48 -1.89 0
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238639 92764077 1 SN2O5H20C21 AB2C5D20E21 -115.8 3.29 -8.68 -1.64 0
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238640 92764154 2 NSO2C11H12 ABC2D11E12 -136.62 4.46 -8.64 -0.71 0
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238641 92764328 1 ON7C35H39 AB7C35D39 87.23 4.14 -8.46 -0.83 0
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238642 92764517 1 SO2N3C23H27 AB2C3D23E27 1.81 1.08 -8.38 -0.77 0
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238643 92764754 1 ClF3O3N4H22C23 AB3C3D4E22F23 -236.7 5.62 -9.0 -1.01 0
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238644 92764772 1 OSN5C22H31 ABC5D22E31 18.74 3.75 -8.41 -1.12 0
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238645 92764774 1 ON3C19H27 AB3C19D27 -5.66 3.5 -8.3 -0.41 0
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238646 92764835 1 ON3C19H35 AB3C19D35 -75.37 4.18 -8.9 1.3 0
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238647 92764873 2 ON2C11H15 AB2C11D15 -24.69 1.82 -8.49 -0.54 0
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238648 92764874 1 N3O3C19H27 A3B3C19D27 -48.91 6.12 -8.48 0.09 0
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238649 92764875 1 ClON4C17H31 ABC4D17E31 -44.51 3.25 -8.25 0.56 0
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238650 92764876 1 N2O3C18H28 A2B3C18D28 -110.94 2.37 -8.43 -0.03 0
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238651 92764877 1 ClON4C17H21 ABC4D17E21 35.75 1.24 -8.72 -0.47 0
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238652 92764879 1 FN2O2C22H27 AB2C2D22E27 -89.62 3.63 -8.64 0.0 0
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238653 92764881 1 O2N3C17H23 A2B3C17D23 1.05 1.78 -8.98 -0.05 0
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238654 92764882 1 ClSO2N3C21H24 ABC2D3E21F24 -41.75 2.3 -8.88 -0.46 0
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238655 92764883 1 ClF3N3O3C17H19 AB3C3D3E17F19 -270.49 4.26 -9.28 -0.88 0
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238656 92764884 1 ClF3N3O3C17H19 AB3C3D3E17F19 -267.56 5.38 -9.26 -0.86 0
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238657 92764885 1 ClN3O3F4C22H24 AB3C3D4E22F24 -295.29 4.72 -9.08 -0.99 0
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238658 92764922 1 O2N4C29H40 A2B4C29D40 -55.88 2.93 -8.42 -0.1 0
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238659 92764925 1 SN4O4C20H34 AB4C4D20E34 -164.49 3.91 -8.28 0.0 0
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238660 92764928 1 OSN3C17H27 ABC3D17E27 -32.3 3.66 -8.29 -0.47 0
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238661 92764935 1 SO3N4C20H34 AB3C4D20E34 -128.86 3.95 -8.08 0.07 0
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238662 92764996 1 SO2N4C22H28 AB2C4D22E28 -30.43 4.25 -8.56 -0.29 0
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238663 92765003 1 ON6C25H38 AB6C25D38 -11.78 8.01 -7.78 -1.1 0
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238664 92765008 2 O2N3C12H18 A2B3C12D18 -76.83 3.04 -8.4 -0.76 0
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238665 92765009 1 OSN7C20H31 ABC7D20E31 32.71 8.55 -8.5 -1.02 0
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238666 92765010 1 OSN7C20H31 ABC7D20E31 30.68 6.62 -8.43 -0.84 0
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238667 92765012 1 OSN7C26H35 ABC7D26E35 59.32 4.01 -8.33 -1.21 0
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238668 92765015 1 OSN7C25H33 ABC7D25E33 58.86 5.07 -8.2 -1.13 0
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238669 92765016 1 OSN7C25H33 ABC7D25E33 63.81 5.03 -8.58 -1.17 0
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238670 92765017 1 OSN7C25H39 ABC7D25E39 17.63 7.21 -8.21 -1.1 0