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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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7829 74296 1 NSO2H11C12 ABC2D11E12 -23.58 5.28 -9.67 -0.64 0
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7830 74299 1 BClO2C6H6 ABC2D6E6 -143.3 1.89 -9.6 -0.39 0
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7831 74303 1 O3N6C14H17 A3B6C14D17 -16.94 6.92 0.0 0.0 1
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7832 74310 1 FON3C4H4 ABC3D4E4 -55.43 5.17 -9.58 -0.86 0
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7834 74316 1 OC9H12 AB9C12 -43.48 1.33 -8.7 0.34 0
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7835 74317 2 OC5H5 AB5C5 -67.29 5.65 -10.21 -0.78 0
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7836 74318 1 OH10C13 AB10C13 7.92 1.77 -9.01 -0.56 0
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7837 74319 1 NOH11C13 ABC11D13 26.93 0.54 -8.84 -0.59 0
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7838 74322 1 NSO3H10C12F17 ABC3D10E12F17 -961.32 5.87 -10.16 -0.98 0
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7839 74324 1 OSF3H7C14 ABC3D7E14 -142.91 5.46 -9.14 -1.42 0
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7840 74325 1 NO2C9H11 AB2C9D11 -74.45 2.76 -8.47 -0.03 0
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7841 74328 1 ClO2C5H7 AB2C5D7 -97.35 2.86 -10.43 -0.7 0
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7842 74329 2 BrNOH5C7 ABCD5E7 -16.47 3.33 -9.24 -1.22 0
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7843 74330 1 O3C9H10 A3B9C10 -121.38 5.91 -10.03 -0.32 0
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7844 74331 2 NO2C8H8 AB2C8D8 -60.99 0.23 -8.51 -1.03 0
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7845 74332 1 NSO4C22H33 ABC4D22E33 -169.64 3.6 -8.86 -0.88 0
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7846 74334 1 ClN2O2H7C10 AB2C2D7E10 -14.94 2.34 -9.26 -1.56 0
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7847 74337 1 SO2H12C14 AB2C12D14 -41.55 1.35 -8.72 -0.84 0
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7848 74338 1 O3H20C21 A3B20C21 -46.62 4.21 -8.51 -0.22 0
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7849 74339 1 ClO2H19C21 AB2C19D21 -10.81 1.45 -8.52 -0.15 0
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7850 74340 2 O3C5H9 A3B5C9 -293.28 4.27 -10.51 0.2 0
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7851 74343 1 NOC8H9 ABC8D9 -9.14 2.76 -10.27 -0.94 0
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7852 74345 1 AgCNS ABCD 77.14 6.67 -8.7 -3.21 0
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7853 74346 1 OC7H10 AB7C10 -32.57 0.53 -8.77 0.88 0
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7854 74347 1 OC16H24 AB16C24 -69.9 3.37 -9.24 0.24 0
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7855 74349 1 O6C27H52 A6B27C52 -174.01 3.14 -9.1 0.3 0
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7856 74350 1 OC9H12 AB9C12 -34.96 1.68 -8.48 0.52 0
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7857 74351 1 OH12C13 AB12C13 6.02 1.75 -8.72 0.07 0
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7858 74354 1 O2H12C13 A2B12C13 -46.13 0.59 -8.55 -0.13 0
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7859 74355 1 PO3C8H9 AB3C8D9 -145.11 2.15 -9.7 -0.66 0
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7860 74356 1 ClN2H15C21 AB2C15D21 94.56 2.99 -8.51 -0.68 0
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7861 74358 1 N5O6H13C18 A5B6C13D18 89.53 6.93 -9.7 -2.09 0
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7862 74360 1 O2C9H18 A2B9C18 -117.95 1.77 -9.87 1.63 0
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7863 74361 1 O3C10H20 A3B10C20 -165.92 3.18 -10.04 1.57 0
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7864 74363 1 OC7H14 AB7C14 -58.9 2.32 -9.8 1.06 0
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7865 74365 1 OC6H12 AB6C12 -57.94 2.45 -9.43 1.22 0
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7866 74366 1 NOC7H7 ABC7D7 -5.04 3.44 -8.78 -0.68 0
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7867 74367 1 NSO2C10H15 ABC2D10E15 -67.21 5.16 -9.49 -0.52 0
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7868 74368 1 SN2O2C7H10 AB2C2D7E10 -57.93 6.73 -9.15 -0.24 0
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7869 74369 1 SN2O2C8H12 AB2C2D8E12 -57.4 8.59 -9.12 -0.32 0
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7870 74371 1 O3C9H10 A3B9C10 -87.71 3.08 -8.62 0.22 0
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7871 74373 1 ClIOH4C7 ABCD4E7 -3.84 3.04 -10.03 -1.56 0
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7872 74376 1 ClFOH4C7 ABCD4E7 -67.47 3.66 -10.51 -1.52 0
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7873 74377 1 BrClOH4C7 ABCD4E7 -17.96 3.72 -10.24 -1.51 0
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7874 74381 1 ClC9H9 AB9C9 17.89 2.03 -9.32 -0.2 0
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7875 74383 1 OC11H16 AB11C16 -41.38 1.22 -9.44 0.34 0
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7876 74384 1 NPS2O5C11H18 ABC2D5E11F18 -263.1 6.67 -9.78 -0.73 0
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7877 74385 1 NPS2O5C10H16 ABC2D5E10F16 -255.79 4.74 -9.83 -0.75 0
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7878 74386 1 OPCl2S2C10H13 ABC2D2E10F13 -109.96 2.31 -9.24 -0.9 0
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7879 74387 1 OPCl2S2C10H13 ABC2D2E10F13 -106.46 2.37 -9.3 -0.96 0