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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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294475 117462853 1 BrO3C12H15 AB3C12D15 -135.6 6.31 -9.18 -0.35 0
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294476 117462879 1 BrO3C12H15 AB3C12D15 -119.2 4.71 -8.76 -0.13 0
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294477 117463118 1 BrO3C12H15 AB3C12D15 -139.91 5.48 -9.32 -0.35 0
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294478 117463120 1 BrO3C12H15 AB3C12D15 -135.66 4.3 -9.1 -0.2 0
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294479 117463198 1 BrFN2C12H16 ABC2D12E16 -25.98 4.61 -8.99 -0.15 0
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294480 117463279 1 NOF6C11H11 ABC6D11E11 -351.03 2.92 -9.96 -0.57 0
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294481 117463340 1 NF2O4C13H15 AB2C4D13E15 -232.36 7.52 -9.64 -0.85 0
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294482 117463464 1 FNO5C13H18 ABC5D13E18 -227.78 4.17 -8.51 -0.26 0
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294483 117463467 1 NSO6C11H13 ABC6D11E13 -220.84 7.01 -9.35 -1.09 0
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294484 117463724 1 NO3C17H21 AB3C17D21 -84.66 3.92 -8.47 -0.06 0
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294485 117463757 1 NO3C17H21 AB3C17D21 -70.17 2.12 -8.97 -0.26 0
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294486 117463761 1 NO3C17H21 AB3C17D21 -109.44 3.81 -9.26 -0.92 0
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294487 117463983 1 NO2C18H25 AB2C18D25 -89.63 3.09 -9.03 0.05 0
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294488 117464054 1 NO2C18H25 AB2C18D25 -85.66 2.24 -8.51 0.12 0
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294489 117464059 1 NO2C18H25 AB2C18D25 -65.48 2.12 -9.15 -0.05 0
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294490 117464062 1 NO2C18H25 AB2C18D25 -72.23 6.04 -8.73 -0.03 0
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294491 117464072 1 ON3C17H25 AB3C17D25 -24.84 5.81 -8.88 0.1 0
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294492 117464119 1 ON3C17H25 AB3C17D25 -25.18 5.13 -8.81 0.21 0
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294493 117464294 1 ClFNO5H7C11 ABCD5E7F11 -150.6 1.85 -8.74 -2.33 0
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294494 117464295 1 ClFNO5H7C11 ABCD5E7F11 -162.39 8.63 -9.31 -1.56 0
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294495 117464298 1 ClNF2O3H8C12 ABC2D3E8F12 -155.43 5.55 -10.16 -1.65 0
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294496 117464312 1 ClNF2O2H12C13 ABC2D2E12F13 -148.83 5.04 -9.49 -0.76 0
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294497 117464484 1 ClNF2C15H20 ABC2D15E20 -105.91 4.98 -9.4 -0.37 0
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294498 117464641 1 BrNO4C10H10 ABC4D10E10 -95.43 5.32 -8.31 -0.99 0
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294499 117464648 1 BrNO4C10H10 ABC4D10E10 -126.98 4.41 -9.4 -0.83 0