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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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76302 48424757 1 NF2O3C16H21 AB2C3D16E21 -203.48 2.93 -9.48 -0.24 0
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76303 48424759 1 N2O3C16H20 A2B3C16D20 -67.27 9.59 -8.76 -0.49 0
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76304 48424760 1 N3O3C21H25 A3B3C21D25 -63.58 1.96 -9.42 -0.3 0
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76305 48424761 1 N2O2C17H24 A2B2C17D24 -31.2 1.64 -9.48 -0.09 0
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76306 48424762 1 NSO2C17H27 ABC2D17E27 -75.44 3.47 -9.03 -0.07 0
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76307 48424764 1 O2N3C18H33 A2B3C18D33 -83.9 4.87 -8.39 0.82 0
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76308 48424765 1 NO4C21H31 AB4C21D31 -158.34 2.3 -8.64 0.09 0
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76309 48424766 1 NO4C20H29 AB4C20D29 -143.77 6.3 -9.0 -0.08 0
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76310 48424767 1 NO4C20H29 AB4C20D29 -147.2 5.59 -8.98 0.01 0
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76311 48424769 2 FNO2C10H11 ABC2D10E11 -234.96 2.69 -9.54 -0.29 0
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76312 48424770 1 NSO2C16H25 ABC2D16E25 -73.98 3.23 -8.87 -0.03 0
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76313 48424771 1 NO4C16H23 AB4C16D23 -134.52 2.36 -8.62 -0.06 0
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76314 48424772 1 O2N3C19H29 A2B3C19D29 -55.87 3.04 -8.32 0.12 0
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76315 48424773 1 FN3O3C22H26 AB3C3D22E26 -141.33 4.18 -8.18 -0.01 0
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76316 48424774 1 O3N4C22H34 A3B4C22D34 -124.08 2.38 -8.32 0.22 0
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76317 48424775 1 O3N4C23H30 A3B4C23D30 -88.56 1.19 -8.28 -0.1 0
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76318 48424776 1 BrN2O2C18H25 AB2C2D18E25 -58.23 3.2 -8.44 0.03 0
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76319 48424777 1 FN2O2C18H25 AB2C2D18E25 -105.24 3.18 -8.26 0.09 0
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76320 48424778 1 NO2C17H29 AB2C17D29 -105.24 4.28 -9.25 0.71 0
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76321 48424779 1 N2O4C21H26 A2B4C21D26 -147.29 3.23 -8.74 -0.14 0
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76322 48424780 1 NO3C17H25 AB3C17D25 -114.11 3.29 -8.6 0.15 0
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76323 48424781 1 NO2C13H25 AB2C13D25 -109.71 3.61 -9.58 1.24 0
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76324 48424782 1 BrSN2O3C17H19 ABC2D3E17F19 -73.94 5.48 -9.35 -0.64 0
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76325 48424783 1 BrNSO2C13H18 ABCD2E13F18 -35.8 3.79 -9.27 -0.56 0
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76326 48424784 1 ClNSO2C18H20 ABCD2E18F20 -32.96 3.52 -9.23 -0.48 0