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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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296650 117587408 1 O3N6H14C17 A3B6C14D17 73.02 0.65 -9.61 -1.96 0
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296651 117587458 1 N3O3C21H23 A3B3C21D23 -45.22 6.54 -8.3 -0.88 0
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296652 117587474 1 ClSN2O3C17H21 ABC2D3E17F21 -110.6 7.1 -9.48 -0.86 0
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296653 117587483 1 N3O4C21H23 A3B4C21D23 -76.05 5.28 -8.84 -0.74 0
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296654 117587517 1 N2O3C20H20 A2B3C20D20 -58.82 5.12 -9.39 -0.58 0
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296655 117587518 1 N2O5C22H24 A2B5C22D24 -133.95 4.81 -8.37 -0.35 0
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296656 117587540 2 OC12H18 AB12C18 -117.17 1.98 -9.29 0.26 0
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296657 117587636 4 OCl2C3H6 AB2C3D6 -348.86 7.89 -10.72 -0.26 0
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296658 117587698 1 NOC12H13 ABC12D13 -19.1 3.69 -8.48 -0.24 0
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296659 117587776 1 NOCl2C4H5 ABC2D4E5 -49.34 2.11 -9.94 -0.47 0
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296660 117587848 1 ClNO4C8H10 ABC4D8E10 -184.72 5.86 -9.54 -1.08 0
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296661 117587883 1 ClN2O3C9H9 AB2C3D9E9 -114.99 6.42 -9.92 -1.2 0
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296662 117587884 1 ClNO5C10H12 ABC5D10E12 -226.02 4.58 -9.46 -1.25 0
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296663 117587981 1 BrON2H5C9 ABC2D5E9 62.18 4.89 -10.22 -2.21 0
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296664 117587986 1 ClNOC5F6H8 ABCD5E6F8 -412.59 3.21 -10.13 -0.5 0
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296665 117588007 1 ClNOF3C9H11 ABCD3E9F11 -223.05 3.01 -9.9 -0.4 0
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296666 117588044 1 SO2F3C8H11 AB2C3D8E11 -254.74 2.03 -10.08 -1.17 0
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296667 117588059 1 F3H3O3C5 A3B3C3D5 -246.56 3.8 -11.7 -1.0 0
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296668 117588062 1 NOF3C6H10 ABC3D6E10 -212.33 3.27 -9.91 0.26 0
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296669 117588066 1 BrN2O2C18H23 AB2C2D18E23 -85.09 7.32 -8.47 -0.22 0
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296670 117588070 1 ON3C16H23 AB3C16D23 -32.66 3.25 -8.87 -0.58 0
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296671 117588073 1 ON3C11H13 AB3C11D13 9.3 3.01 -8.74 -0.16 0
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296672 117588074 1 O2N3C13H19 A2B3C13D19 -64.35 4.6 -8.99 -1.0 0
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296673 117588078 1 ON3C11H15 AB3C11D15 -22.57 4.19 -9.13 -0.8 0
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296674 117588103 1 BrNOC11H14 ABCD11E14 -27.87 0.98 -9.5 -0.28 0
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296675 117588119 1 N3O4C16H23 A3B4C16D23 -175.03 2.08 -9.52 -1.3 0
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296676 117588142 1 SO3N5H11C17 AB3C5D11E17 24.91 5.93 -9.34 -2.0 0
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296677 117588209 2 ClON2C5H10 ABC2D5E10 -109.12 1.25 -9.64 -0.09 0
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296678 117588319 1 ClOS2N5H8C14 ABC2D5E8F14 102.78 7.28 -9.17 -1.84 0
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296679 117588346 1 BrOSN5H10C16 ABCD5E10F16 108.75 8.91 -9.13 -1.7 0
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296680 117588358 1 N3S3O5H21C23 A3B3C5D21E23 -87.47 6.69 -8.85 -1.72 0
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296681 117588384 1 BrSO3N4H9C13 ABC3D4E9F13 0.01 4.3 -9.54 -1.9 0
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296682 117588464 1 SN4O4H18C21 AB4C4D18E21 -18.72 5.22 -9.24 -1.68 0
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296683 117588467 1 SO4N5H23C24 AB4C5D23E24 -15.43 9.73 -9.04 -1.67 0
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296684 117588473 1 SO3N5H19C25 AB3C5D19E25 49.83 6.74 -9.08 -1.87 0
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296685 117588525 1 BrSO4N5H20C26 ABC4D5E20F26 17.31 5.03 -9.32 -1.82 0
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296686 117588601 1 N3O4C26H29 A3B4C26D29 -78.85 8.4 -8.05 -1.29 0
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296687 117588621 1 SO2N3H15C18 AB2C3D15E18 12.59 7.61 -8.94 -1.3 0
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296688 117588639 1 N2S4C25H26 A2B4C25D26 90.5 5.96 -8.1 -1.93 0
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296689 117588744 2 NOC12H12 ABC12D12 -19.66 5.55 -8.79 -1.22 0
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296690 117588794 2 NO2C8H8 AB2C8D8 2.79 5.89 -9.71 -1.74 1
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296691 117588848 1 NO2C21H30 AB2C21D30 -41.64 0.72 0.0 0.0 0
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296692 117588874 1 ClNO2C25H36 ABC2D25E36 -92.47 10.19 -8.38 0.11 1
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296693 117588885 1 ClNO2C25H35 ABC2D25E35 -72.15 1.46 0.0 0.0 0
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296694 117588889 1 BrSF2N3O3H12C14 ABC2D3E3F12G14 -117.36 7.78 -9.45 -1.3 0
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296695 117588942 1 SN2O4C21H22 AB2C4D21E22 -76.2 2.27 -8.85 -0.7 0
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296696 117588956 1 ClNSO5C11H24 ABCD5E11F24 -290.32 6.28 -10.04 0.48 0
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296697 117588957 1 KNS2O5C6H12 ABC2D5E6F12 -279.66 3.13 -9.03 0.66 0
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296698 117589016 1 SN2O3C11H20 AB2C3D11E20 -130.73 5.66 -9.32 0.68 0
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296699 117589042 1 ClSN2O2C17H25 ABC2D2E17F25 -59.8 4.35 -8.0 -0.44 0