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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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294425 117460351 1 ClNO3C14H20 ABC3D14E20 -112.82 2.87 -8.85 -0.29 0
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294426 117460368 1 ClNO3C14H20 ABC3D14E20 -122.84 4.72 -8.9 -0.29 0
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294427 117460413 1 ClNO3C14H20 ABC3D14E20 -123.99 1.64 -8.43 -0.08 0
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294428 117460416 1 ClNO3C14H20 ABC3D14E20 -94.83 4.11 -8.91 -0.15 0
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294429 117460420 1 ClNO3C14H20 ABC3D14E20 -93.25 2.16 -8.37 -0.03 0
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294430 117460544 1 BrFON3H9C10 ABCD3E9F10 2.6 3.01 -9.66 -1.04 0
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294431 117460557 1 BrFON3H9C10 ABCD3E9F10 -28.88 4.25 -9.11 -0.58 0
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294432 117460654 1 BrNO3C11H12 ABC3D11E12 -82.09 2.24 -9.19 -0.81 0
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294433 117460748 1 BrNO2C12H16 ABC2D12E16 -45.22 5.76 -8.71 -0.1 0
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294434 117460920 1 BrNO2C12H16 ABC2D12E16 -59.07 2.9 -8.72 -0.26 0
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294435 117460980 1 BrNO2C12H16 ABC2D12E16 -15.22 2.96 -8.98 -0.24 0
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294436 117460991 1 BrNO2C12H16 ABC2D12E16 -17.49 2.28 -9.07 -0.24 0
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294437 117461003 1 BrNO2C12H16 ABC2D12E16 -70.41 2.79 -9.12 -0.28 0
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294438 117461119 1 BrNO2C12H16 ABC2D12E16 -69.59 2.0 -8.6 -0.12 0
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294439 117461195 1 BrNO2C12H16 ABC2D12E16 -58.09 2.65 -8.7 -0.37 0
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294440 117461199 1 BrNO2C12H16 ABC2D12E16 -64.99 3.65 -8.44 -0.04 0
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294441 117461215 1 BrNO2C12H16 ABC2D12E16 -60.61 1.95 -9.13 -0.25 0
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294442 117461295 1 BrFNC13H17 ABCD13E17 -47.56 1.84 -9.03 -0.22 0
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294443 117461308 1 BrFNC13H17 ABCD13E17 -46.16 1.81 -9.24 -0.25 0
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294444 117461348 1 BrFNC13H17 ABCD13E17 -24.67 1.99 -9.47 -0.36 0
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294445 117461458 1 BrNOC13H20 ABCD13E20 -56.49 3.8 -8.96 -0.17 0
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294446 117461621 1 O5H14C16 A5B14C16 -129.44 5.88 -9.08 -1.21 0
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294447 117461722 1 SO6C12H14 AB6C12D14 -229.93 10.49 -9.33 -0.96 0
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294448 117461758 1 FSO4C13H15 ABC4D13E15 -205.71 5.8 -10.33 -1.18 0
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294449 117461833 1 N2O3C16H18 A2B3C16D18 -52.83 2.14 -9.34 -0.63 0