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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41003 8145106 1 SO3N4C19H27 AB3C4D19E27 -69.49 4.5 0.0 0.0 0
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41004 8145107 1 SO3N4C19H26 AB3C4D19E26 -69.13 4.2 -8.09 -0.54 1
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41005 8145108 1 OS2N4C19H19 AB2C4D19E19 57.72 4.89 0.0 0.0 0
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41006 8145109 1 OS2N4H18C19 AB2C4D18E19 44.54 3.86 -8.47 -1.04 0
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41007 8145111 1 SO3N4C21H28 AB3C4D21E28 -52.06 5.77 -8.09 -0.42 1
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41008 8145112 1 SO3N4C19H27 AB3C4D19E27 -52.35 6.68 0.0 0.0 0
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41009 8145113 1 SO3N4C19H26 AB3C4D19E26 -70.76 5.51 -8.12 -0.36 0
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41010 8145115 1 SO3N4C20H28 AB3C4D20E28 -77.17 6.77 -8.18 -0.39 0
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41011 8145117 1 SO3N4C21H28 AB3C4D21E28 -53.6 5.42 -8.14 -0.3 1
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41012 8145118 1 SO2N4C19H27 AB2C4D19E27 -20.52 5.52 0.0 0.0 1
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41013 8145120 1 SO3N4C18H25 AB3C4D18E25 -58.79 5.96 0.0 0.0 0
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41014 8145123 1 ClOSN4H15C18 ABCD4E15F18 43.82 5.17 -9.27 -0.96 1
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41015 8145124 1 ClSO2N4C18H24 ABC2D4E18F24 -20.82 4.22 0.0 0.0 0
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41016 8145125 1 ClSO2N4C18H23 ABC2D4E18F23 -37.49 3.11 -8.24 -0.81 1
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41017 8145126 1 SO2N4C19H27 AB2C4D19E27 -22.95 6.03 0.0 0.0 1
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41018 8145128 1 SO2N4C19H27 AB2C4D19E27 -8.28 7.02 0.0 0.0 0
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41019 8145129 1 SO2N4C19H26 AB2C4D19E26 -36.99 3.16 -8.18 -0.02 1
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41020 8145130 1 SO3N4C20H21 AB3C4D20E21 -6.23 5.84 0.0 0.0 0
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41021 8145131 1 SO3N4C20H20 AB3C4D20E20 -19.57 5.02 -8.57 -0.96 1
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41022 8145132 1 NO5C21H28 AB5C21D28 -207.78 9.71 0.0 0.0 0
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41023 8145133 1 NO5C21H27 AB5C21D27 -221.37 2.77 -8.86 -0.72 1
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41024 8145134 1 SN3O3C19H26 AB3C3D19E26 -65.44 7.33 0.0 0.0 1
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41025 8145136 1 S2O3N4C16H23 A2B3C4D16E23 -49.24 7.53 0.0 0.0 0
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41026 8145138 1 N3O5C19H21 A3B5C19D21 -104.52 1.87 -8.59 -0.58 1
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41027 8145139 1 SN3O3C18H24 AB3C3D18E24 -47.34 15.07 0.0 0.0 0
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41028 8145140 1 SN3O3C18H23 AB3C3D18E23 -73.48 6.52 -8.67 -0.79 1
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41029 8145141 1 SN3O5C19H26 AB3C5D19E26 -129.09 5.57 0.0 0.0 1
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41030 8145143 1 O2S2N4C14H23 A2B2C4D14E23 -23.16 16.04 0.0 0.0 0
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41031 8145145 4 NH4C5 AB4C5 117.14 8.58 -8.75 -1.2 1
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41032 8145146 1 SN3O4C19H26 AB3C4D19E26 -87.84 7.6 0.0 0.0 0
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41033 8145147 1 SN3O4C19H25 AB3C4D19E25 -111.84 4.4 -8.69 -0.28 1
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41034 8145150 1 N2O6C19H23 A2B6C19D23 -198.69 8.17 0.0 0.0 0
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41035 8145152 1 BrO2N3C18H18 AB2C3D18E18 -8.24 2.78 -9.5 -0.9 1
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41036 8145153 1 N4O4C16H21 A4B4C16D21 -28.73 8.85 0.0 0.0 0
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41037 8145156 1 OSN4H18C19 ABC4D18E19 48.51 6.25 -9.2 -0.87 1
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41038 8145157 1 OSN5C23H30 ABC5D23E30 69.36 6.29 0.0 0.0 0
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41039 8145158 1 OSN5C23H29 ABC5D23E29 50.4 3.05 -8.25 -0.24 1
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41040 8145159 1 SO2N5C22H28 AB2C5D22E28 49.87 3.83 0.0 0.0 1
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41041 8145161 1 OSN5C23H30 ABC5D23E30 68.49 2.52 0.0 0.0 0
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41042 8145162 1 OSN5C23H29 ABC5D23E29 51.28 3.94 -8.33 -0.2 1
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41043 8145164 1 OSN4C19H19 ABC4D19E19 59.21 3.18 0.0 0.0 1
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41044 8145166 1 O3N4C19H29 A3B4C19D29 -85.09 3.1 0.0 0.0 0
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41045 8145167 1 O3N4C19H28 A3B4C19D28 -107.45 2.63 -7.93 0.17 1
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41046 8145168 1 O3N4C19H29 A3B4C19D29 -85.01 0.88 0.0 0.0 0
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41047 8145169 1 O3N4C19H28 A3B4C19D28 -105.01 1.51 -8.0 0.16 1
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41048 8145171 1 SO2N3C20H24 AB2C3D20E24 18.76 5.45 0.0 0.0 0
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41049 8145172 1 SO2N3C20H23 AB2C3D20E23 -0.24 3.81 -8.62 -0.7 0
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41050 8145174 1 OS2N3C20H23 AB2C3D20E23 38.01 3.45 -8.44 -0.88 0
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41051 8145176 1 OCl2N3H15C16 AB2C3D15E16 44.09 4.91 -9.63 -1.11 0
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41052 8145180 1 OSN6C20H24 ABC6D20E24 97.23 3.17 -8.73 -0.75 0