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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174913 75831517 1 SN4O4C17H26 AB4C4D17E26 -116.12 9.53 -7.02 -0.44 1
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174914 75831518 1 SN4O4C17H25 AB4C4D17E25 -120.48 1.5 0.0 0.0 1
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174915 75831665 1 N3O4C21H26 A3B4C21D26 -39.3 7.96 0.0 0.0 0
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174916 75832120 1 O4H18C19 A4B18C19 -85.63 5.72 -9.0 -0.86 1
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174917 75832293 1 FON5C19H25 ABC5D19E25 4.74 2.51 0.0 0.0 1
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174918 75832471 1 FO2N3C20H27 AB2C3D20E27 -83.3 4.0 0.0 0.0 0
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174919 75832687 1 SO2N3H21C24 AB2C3D21E24 31.35 6.73 -8.83 -0.74 1
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174920 75832688 1 N2O2C20H25 A2B2C20D25 -25.17 5.72 0.0 0.0 1
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174921 75832706 1 O2N3C22H36 A2B3C22D36 -87.12 4.3 0.0 0.0 0
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174922 75832707 1 O2N3C22H35 A2B3C22D35 -110.69 2.93 -8.51 -0.01 1
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174923 75832708 1 O3N4C23H35 A3B4C23D35 -52.71 6.45 0.0 0.0 0
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174924 75832709 1 O3N4C23H34 A3B4C23D34 -77.48 4.08 -8.61 -0.58 1
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174925 75832796 1 N3O3C21H34 A3B3C21D34 -129.11 5.79 0.0 0.0 0
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174926 75832797 3 NOC7H11 ABC7D11 -146.89 6.24 -9.15 0.16 0
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174927 75833049 1 O2N3C20H29 A2B3C20D29 -77.4 6.71 -8.75 0.2 0
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174928 75833268 1 NS2O5C17H19 AB2C5D17E19 -180.8 5.99 -9.42 -0.67 0
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174929 75833525 1 N2O3C17H18 A2B3C17D18 -81.19 3.59 -8.48 0.1 -2
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174930 75834078 1 SCl2N2O4H12C22 AB2C2D4E12F22 41.16 13.15 -9.5 -4.02 0
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174931 75834336 1 O2F3N3H12C14 A2B3C3D12E14 -182.37 7.5 -9.89 -1.71 0
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174932 75834645 1 O3N4C23H32 A3B4C23D32 -65.12 2.72 -8.52 -2.05 1
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174933 75834646 1 ON4C25H41 AB4C25D41 -23.94 6.28 0.0 0.0 0
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174934 75835262 1 O2N3C22H23 A2B3C22D23 8.22 4.43 -9.01 -0.24 0
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174935 75835376 1 ON2S2C15H18 AB2C2D15E18 7.42 2.33 -8.88 -0.33 0
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174936 75835389 1 BrO2F3N3C12H13 AB2C3D3E12F13 -210.76 5.45 -9.23 -0.97 0
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174937 75835688 2 NOC10H10 ABC10D10 -43.0 4.82 -9.19 -0.43 0