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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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164777 74451130 1 OSN5C24H32 ABC5D24E32 10.21 3.33 0.0 0.0 0
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164778 74451414 1 N2O5C16H28 A2B5C16D28 -235.78 4.09 -9.79 0.75 0
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164779 74451415 1 SO3N4C14H16 AB3C4D14E16 -63.12 6.38 -9.0 -0.97 0
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164780 74451531 1 N3O4C21H23 A3B4C21D23 -102.83 7.97 -8.55 -0.56 1
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164782 74451823 1 N3O3C21H32 A3B3C21D32 -104.19 9.01 0.0 0.0 1
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164785 74452709 1 ClN4O4C22H23 AB4C4D22E23 -72.42 3.93 -9.02 -1.7 1
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164786 74452729 1 FO2N3C16H23 AB2C3D16E23 -96.74 5.35 0.0 0.0 0
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164787 74453151 1 O3N6C24H38 A3B6C24D38 -92.76 7.88 -8.95 0.14 1
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164788 74453331 1 FN2O2C21H32 AB2C2D21E32 -121.55 3.57 0.0 0.0 1
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164790 74453333 1 O4N5C20H28 A4B5C20D28 -42.93 3.01 0.0 0.0 1
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164791 74453727 1 O2N6C27H41 A2B6C27D41 -15.1 6.2 0.0 0.0 1
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164792 74453905 1 O2N4C20H29 A2B4C20D29 -29.23 1.68 0.0 0.0 1
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164793 74453909 1 O2N4C21H25 A2B4C21D25 15.87 6.25 0.0 0.0 0
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164794 74454018 1 SO2N6H22C24 AB2C6D22E24 54.57 3.59 -8.83 -1.25 1
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164795 74454633 1 ClN2F3O3C22H23 AB2C3D3E22F23 -225.68 10.62 0.0 0.0 1
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164796 74454634 1 ClN3O3C22H27 AB3C3D22E27 -88.15 5.94 0.0 0.0 1
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164797 74454695 1 FSN3O3C24H27 ABC3D3E24F27 -82.97 8.48 0.0 0.0 1
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164798 74454705 1 ClNO3C21H25 ABC3D21E25 -49.09 22.68 0.0 0.0 2
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164799 74454934 2 NO2C12H22 AB2C12D22 -148.37 13.4 -6.02 -0.06 1
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164800 74454935 1 SN2O2C21H25 AB2C2D21E25 6.13 3.19 0.0 0.0 2
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164801 74454936 1 O2N5C15H21 A2B5C15D21 8.58 9.81 -7.6 -0.3 1
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164802 74455090 1 FN2O3C17H22 AB2C3D17E22 -125.62 5.46 0.0 0.0 0
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164804 74455092 1 N3O4S4C18H19 A3B4C4D18E19 -74.71 5.93 -9.05 -1.95 0
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164805 74456325 1 BrN3O4H16C18 AB3C4D16E18 -50.51 6.11 -9.42 -1.51 -1
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164806 74456638 1 ClN2S2O5C21H24 AB2C2D5E21F24 -142.61 6.91 0.0 0.0 2