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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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293650 117395193 1 ClO3C13H17 AB3C13D17 -106.09 5.17 -8.91 -0.3 0
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293651 117395195 1 ClO3C13H17 AB3C13D17 -102.99 1.88 -8.73 -0.16 0
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293652 117395211 1 ClO3C13H17 AB3C13D17 -97.94 2.93 -8.9 -0.24 0
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293653 117395212 1 ClO3C13H17 AB3C13D17 -100.58 4.98 -8.62 -0.29 0
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293654 117395224 1 ClO3C13H17 AB3C13D17 -152.36 4.57 -8.96 -0.23 0
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293655 117395236 1 ClO3C13H17 AB3C13D17 -152.0 5.26 -8.95 -0.23 0
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293656 117395237 1 ClO3C13H17 AB3C13D17 -137.23 4.36 -9.36 -0.29 0
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293657 117395255 1 ClN2O2C12H17 AB2C2D12E17 -72.22 3.8 -8.96 -0.25 0
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293658 117395256 1 ClO3C13H17 AB3C13D17 -139.33 5.32 -9.78 -0.65 0
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293659 117395259 1 ClO3C13H17 AB3C13D17 -142.29 4.83 -9.25 -0.33 0
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293660 117395268 1 ClO3C13H17 AB3C13D17 -144.27 7.4 -9.3 -0.25 0
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293661 117395282 1 ClO3C13H17 AB3C13D17 -115.47 3.5 -8.9 -0.36 0
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293662 117395285 1 ClO3C13H17 AB3C13D17 -133.35 3.19 -8.86 -0.3 0
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293663 117395302 1 ClO3C13H17 AB3C13D17 -129.51 2.92 -8.76 -0.22 0
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293664 117395558 1 BrO2C11H13 AB2C11D13 -54.77 4.23 -9.54 -0.28 0
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293665 117395559 1 BrO2C11H13 AB2C11D13 -67.91 0.54 -9.59 -0.28 0
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293666 117395605 1 BrO2C11H13 AB2C11D13 -46.59 1.68 -9.2 -0.35 0
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293667 117395607 1 BrO2C11H13 AB2C11D13 -60.71 4.33 -9.2 -0.27 0
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293668 117395731 1 OF3N3H10C11 AB3C3D10E11 -135.63 2.71 -9.01 -0.61 0
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293669 117395732 1 OF3N3H10C11 AB3C3D10E11 -107.22 4.95 -8.86 -0.79 0
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293670 117395749 1 OF3N3H10C11 AB3C3D10E11 -129.78 10.31 -8.6 -1.34 0
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293671 117395773 1 FNO5C11H12 ABC5D11E12 -242.28 2.83 -9.53 -1.21 0
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293672 117395971 1 FNO4C12H16 ABC4D12E16 -194.8 5.05 -9.68 -0.43 0
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293673 117396032 1 FNO4C12H16 ABC4D12E16 -151.42 2.25 -8.64 -0.23 0
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293674 117396485 1 NSO4C11H15 ABC4D11E15 -139.14 5.57 -9.12 -0.84 0