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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407257 135079679 1 SSeN2O2C14H18 ABC2D2E14F18 -35.68 8.77 -8.31 -0.2 0
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407258 135079680 1 NH21C23 AB21C23 97.62 1.81 -8.32 -0.51 0
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407259 135079681 2 NO3H8C12 AB3C8D12 14.77 6.0 -9.43 -1.56 0
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407260 135079682 1 N2O3C16H20 A2B3C16D20 -107.06 4.48 -8.88 -1.02 0
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407261 135079683 1 N2O2C17H18 A2B2C17D18 20.78 3.44 -8.79 -0.21 0
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407262 135079687 1 OSN2C14H14 ABC2D14E14 66.04 2.96 -9.1 -0.69 0
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407263 135079691 1 NO2C24H25 AB2C24D25 11.78 3.7 -8.99 -0.55 0
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407264 135079692 1 ClNO3H20C23 ABC3D20E23 -5.95 3.77 -8.94 -1.19 0
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407265 135079697 1 NSO2C14H17 ABC2D14E17 -4.07 5.02 -9.56 -0.55 0
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407266 135079698 1 BrN2H15C16 AB2C15D16 88.43 2.74 -8.31 -0.57 0
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407267 135079703 1 BrON2C17H17 ABC2D17E17 50.49 4.71 -8.2 -0.41 0
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407268 135079704 1 OPF6H11C19 ABC6D11E19 -234.79 4.03 -10.34 -1.37 0
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407269 135079714 1 NSiO5C31H41 ABC5D31E41 -183.44 4.38 -8.39 -0.27 0
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407270 135079715 1 BrNSO4H18C21 ABCD4E18F21 -82.59 7.41 -9.32 -0.76 0
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407271 135079720 1 PO5H19C21 AB5C19D21 -170.95 2.09 -8.75 -0.6 0
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407272 135079721 1 NO3C13H13 AB3C13D13 -70.78 7.98 -10.02 -0.8 0
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407273 135079723 1 NO3H17C18 AB3C17D18 -72.77 3.04 -9.49 -0.96 0
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407274 135079725 1 SN2O2C6H10 AB2C2D6E10 -36.45 0.57 -8.92 -0.42 0
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407275 135079729 1 SO2C19H20 AB2C19D20 -21.89 5.69 -9.06 -0.45 0
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407276 135079731 1 NOC14H17 ABC14D17 -11.98 2.3 -9.8 -0.92 0
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407278 135079733 1 NOF3H10C15 ABC3D10E15 -122.92 1.4 -10.01 -1.51 0
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407279 135079735 1 BSiO2C21H31 ABC2D21E31 -94.43 1.71 -8.61 -0.14 0
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407280 135079739 1 NO6C14H19 AB6C14D19 -263.0 5.53 -10.13 -1.35 1
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407281 135079743 1 SN2O3C17H23 AB2C3D17E23 -64.54 5.42 0.0 0.0 0
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407282 135079746 1 SiO2C22H40 AB2C22D40 -175.5 3.09 -8.4 0.8 0
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407283 135079748 1 OSiC17H28 ABC17D28 -93.88 0.92 -9.17 0.32 0
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407284 135079749 1 SN2O3C20H24 AB2C3D20E24 -61.98 6.34 -9.43 -0.73 1
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407285 135079750 1 SN2O3C20H25 AB2C3D20E25 -75.7 5.4 0.0 0.0 0
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407286 135079751 1 O4H24C25 A4B24C25 -50.77 1.11 -9.9 -0.5 0
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407287 135079752 1 NSO2C19H25 ABC2D19E25 -16.04 4.74 -9.11 -0.4 0
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407288 135079753 1 SnO2C18H36 AB2C18D36 -113.92 2.45 -9.47 0.9 0
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407289 135079754 1 AuPC22H26 ABC22D26 130.19 3.43 -8.27 -0.62 0
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407291 135079756 1 NaSN2O3C12H15 ABC2D3E12F15 -163.54 9.42 -8.63 -0.25 0
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407292 135079757 1 FOSN3H8C10 ABCD3E8F10 -16.23 3.84 -9.13 -1.19 0
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407293 135079758 1 ClOSN3H8C10 ABCD3E8F10 21.88 3.78 -9.09 -1.12 0
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407294 135079759 1 S2F3O3N4H9C11 A2B3C3D4E9F11 -202.31 5.12 -9.41 -1.49 0
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407295 135079760 1 S2F3N3O3H10C12 A2B3C3D3E10F12 -212.73 8.6 -9.52 -1.53 0
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407296 135079761 1 ClSO2N3H10C11 ABC2D3E10F11 -20.07 1.93 -9.08 -1.17 0
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407297 135079762 1 ClSN3O3H10C12 ABC3D3E10F12 -60.25 6.51 -9.17 -1.27 0
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407298 135079763 1 ClS2O3N4H9C10 AB2C3D4E9F10 -50.24 7.59 -9.37 -1.46 0
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407299 135079764 1 ON2Cl3H3C10 AB2C3D3E10 47.76 2.26 -9.75 -1.97 0
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407300 135079765 1 OSSiN2C20H32 ABCD2E20F32 -82.58 1.99 -8.75 -0.3 0
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407301 135079766 1 S2N3O6H57C63 A2B3C6D57E63 -60.22 2.39 -8.77 -0.47 0
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407302 135079767 2 PSN4O4C26H30 ABC4D4E26F30 -308.67 5.06 -8.69 -1.55 0
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407303 135079768 1 ClON2S2H11C17 ABC2D2E11F17 87.19 3.06 -8.99 -1.86 0
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407304 135079769 1 OCl3H9C15 AB3C9D15 7.47 2.31 -9.62 -0.86 0
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407305 135079770 1 NSeC4H5 ABC4D5 51.66 5.52 -8.41 -0.16 0
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407306 135079771 2 SF3O4H8C12 AB3C4D8E12 -528.3 4.55 -8.69 -1.56 0
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407307 135079772 1 NO4C18H21 AB4C18D21 -142.48 6.86 -9.18 -0.7 0
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407308 135079775 1 NOSiF3C16H24 ABCD3E16F24 -234.83 4.25 -8.87 -0.87 0