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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399500 135040620 1 F3O5C9H15 A3B5C9D15 -389.81 3.81 -10.74 0.14 0
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399501 135040622 1 C13H20 A13B20 -4.34 1.02 -9.57 1.34 0
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399503 135040624 1 OC14H22 AB14C22 -70.45 3.59 -8.8 0.93 0
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399504 135040625 1 NOC14H19 ABC14D19 -20.4 2.94 -8.49 0.47 0
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399505 135040626 1 RbSN2H11C12 ABC2D11E12 -4.1 5.66 -7.63 -0.36 0
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399506 135040627 1 SN2C12H12 AB2C12D12 52.54 2.83 -8.93 -0.83 0
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399507 135040629 1 NO2S2F3H8C9 AB2C2D3E8F9 -206.41 2.32 -8.71 -1.43 0
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399508 135040630 2 OC6H11 AB6C11 -131.73 3.02 -9.51 2.48 0
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399509 135040631 1 BrOSC13H19 ABCD13E19 -45.61 4.15 -9.2 -1.12 1
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399510 135040632 1 NO2C13H16 AB2C13D16 -56.87 1.9 0.0 0.0 0
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399511 135040633 1 NO2C13H15 AB2C13D15 19.54 2.2 -8.56 -0.8 0
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399512 135040639 1 BClKF3C7H12 ABCD3E7F12 -359.79 9.81 -9.19 0.1 -1
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399513 135040640 1 BClF3C7H12 ABC3D7E12 -260.14 3.34 0.0 0.0 0
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399515 135040663 1 OC15H26 AB15C26 -74.96 3.06 -9.19 1.32 0
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399516 135040672 1 N2O2C13H16 A2B2C13D16 -58.47 3.1 -8.22 0.02 0
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399517 135040674 2 NOH6C7 ABC6D7 -11.22 9.79 -8.56 -1.03 0
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399518 135040682 1 ClN3C13H14 AB3C13D14 48.09 8.16 -9.13 -0.77 0
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399519 135040701 1 Cl2O2C13H14 A2B2C13D14 -84.51 4.36 -9.68 -0.85 0
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399520 135040703 2 BrFH4C5 ABC4D5 -57.87 2.78 -9.98 -0.64 0
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399521 135040706 2 OC6H8 AB6C8 -84.67 1.36 -9.98 -0.43 0
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399522 135040714 2 IC2H2 AB2C2 61.63 1.41 -9.43 -1.03 0
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399523 135040732 1 O2C13H18 A2B13C18 -99.4 4.26 -9.94 0.61 0
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399524 135040746 1 BBrNO2C10H13 ABCD2E10F13 -129.67 9.3 -9.02 0.37 0
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399525 135040756 1 NO2C8H11 AB2C8D11 -75.11 2.72 -9.67 -0.32 0
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399526 135040763 1 O13C44H80 A13B44C80 -706.82 2.64 -9.63 0.34 0
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399527 135040765 1 O2C15H18 A2B15C18 -72.21 3.73 -9.98 -0.65 0
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399528 135040766 1 NSO4H13C14 ABC4D13E14 -103.3 4.71 -10.29 -1.08 0
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399529 135040769 1 O4C15H18 A4B15C18 -135.14 6.23 -9.12 -0.1 0
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399530 135040773 1 BNO3C12H14 ABC3D12E14 -148.17 7.6 -8.45 0.26 0
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399531 135040775 1 S2O3H12C14 A2B3C12D14 -35.73 7.5 -9.57 -1.5 0
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399532 135040776 1 F3O5C9H15 A3B5C9D15 -389.42 3.84 -10.63 -0.01 0
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399533 135040777 1 ClSO2H11C14 ABC2D11E14 -27.73 3.52 -9.14 -1.03 0
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399534 135040778 1 FO2H15C16 AB2C15D16 -81.54 2.72 -9.76 -0.65 0
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399535 135040779 1 NO2C15H19 AB2C15D19 -73.14 5.07 -9.23 0.1 0
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399536 135040780 1 IH9C10 AB9C10 68.2 1.76 -9.33 -0.82 0
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399537 135040791 1 OC13H22 AB13C22 -60.23 1.97 -9.91 1.33 0
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399538 135040800 1 NOC18H25 ABC18D25 -36.75 3.49 -9.19 0.14 0
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399539 135040803 1 NO2C13H15 AB2C13D15 -68.1 2.39 -8.25 0.18 0
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399540 135040808 1 NO3C15H23 AB3C15D23 -155.04 2.7 -9.65 0.05 0
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399541 135040842 1 BO6C12H19 AB6C12D19 -322.53 0.67 -9.59 0.1 0
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399542 135040845 1 ON2C12H18 AB2C12D18 -40.95 4.53 -9.19 0.51 0
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399543 135040852 1 O3C14H18 A3B14C18 -122.07 4.11 -9.11 -0.76 0
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399544 135040860 1 ClO2C14H19 AB2C14D19 -103.67 1.49 -8.05 0.2 0
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399545 135040866 1 O3C11H14 A3B11C14 -85.8 4.95 -9.38 -1.09 0
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399546 135040867 2 C7H8 A7B8 58.27 0.65 -9.37 0.37 -1
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399547 135040881 1 YN2O2C14H15 AB2C2D14E15 93.26 22.38 -6.07 -2.07 -1
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399548 135040890 1 PdO2C6H11 AB2C6D11 -27.12 4.95 0.0 0.0 0
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399549 135040891 1 PdC5H10 AB5C10 56.27 2.64 -7.03 1.21 0
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399550 135040892 1 SN2F3O3C11H17 AB2C3D3E11F17 -270.14 1.61 -9.07 -0.81 0
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399551 135040896 2 FOC5H5 ABC5D5 -141.3 2.69 -9.82 -0.61 0