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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165767 74595244 1 SO3N4C14H18 AB3C4D14E18 -39.66 1.69 -8.6 -0.68 0
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165768 74595245 1 FSO3N4C17H17 ABC3D4E17F17 -70.65 1.96 -9.09 -1.07 0
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165769 74595423 1 N2O7C24H28 A2B7C24D28 -217.75 7.81 -7.87 -0.95 1
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165770 74595778 1 S2O3N4C19H23 A2B3C4D19E23 -67.92 4.21 0.0 0.0 0
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165771 74596084 1 S2N3O3C17H21 A2B3C3D17E21 -84.47 6.55 -9.24 -0.55 0
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165772 74596732 1 S2O3N5C21H29 A2B3C5D21E29 -85.67 7.74 -9.36 -1.39 0
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165773 74596774 1 ClFO3N4C19H26 ABC3D4E19F26 -184.02 5.71 -9.75 -0.9 0
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165774 74596791 1 SN2O3C18H20 AB2C3D18E20 -98.55 3.94 -9.36 -0.97 0
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165775 74597260 1 SO3N4C23H24 AB3C4D23E24 -73.01 5.31 -8.89 -0.65 0
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165776 74597277 1 SN2O5C16H22 AB2C5D16E22 -192.52 4.5 -8.71 -0.08 1
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165777 74597309 1 O3N4C23H35 A3B4C23D35 -106.25 4.05 0.0 0.0 1
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165778 74597310 1 N2O2F3C19H22 A2B2C3D19E22 -180.19 3.18 0.0 0.0 1
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165779 74597311 1 OSCl2N2C16H19 ABC2D2E16F19 8.89 5.96 0.0 0.0 0
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165780 74597610 1 OSN3C19H23 ABC3D19E23 17.64 4.73 -9.01 -0.49 0
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165781 74598333 1 ClN2O4C23H25 AB2C4D23E25 -135.76 1.8 -9.32 -0.75 0
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165782 74598334 1 SO3N7C22H31 AB3C7D22E31 -63.27 6.08 -8.57 -0.7 0
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165783 74598375 1 NO4C21H25 AB4C21D25 -111.09 7.37 -8.59 -0.25 0
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165784 74598376 1 NO3C21H25 AB3C21D25 -76.27 4.12 -8.46 -0.11 0
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165785 74598377 1 NO3C14H19 AB3C14D19 -96.75 6.55 -8.91 -0.27 1
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165786 74598389 1 N3O3C14H18 A3B3C14D18 -94.53 5.34 0.0 0.0 0
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165787 74598450 1 SF2N5O5H17C21 AB2C5D5E17F21 -163.04 8.39 -9.33 -1.85 0
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165788 74598451 1 S2N3O3C18H27 A2B3C3D18E27 -102.32 7.82 -9.1 -1.59 0
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165789 74598483 1 N4O4H22C23 A4B4C22D23 -74.78 3.09 -8.38 -0.86 0
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165790 74598804 1 O3N5C25H31 A3B5C25D31 -64.01 3.52 -8.68 -0.01 0
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165791 74599185 1 SO2N3C26H35 AB2C3D26E35 -93.22 4.94 -8.48 0.18 1