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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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44118 10500847 2 O3C11H17 A3B11C17 -250.75 5.2 -9.93 0.69 0
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44119 10500850 2 OH13C14 AB13C14 47.6 3.05 -8.64 0.13 0
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44120 10500855 1 SO5C21H30 AB5C21D30 -225.62 3.69 -8.72 -0.4 0
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44121 10500859 1 SN2O2C23H26 AB2C2D23E26 -30.9 4.88 -8.38 -0.65 0
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44122 10500875 1 ClFSO2N4H16C17 ABCD2E4F16G17 -43.27 7.0 -8.62 -1.28 0
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44124 10500880 1 FOCl2N2C20H21 ABC2D2E20F21 -65.11 5.58 -9.45 -0.73 0
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44125 10500912 1 OSN5C21H25 ABC5D21E25 49.11 6.35 -8.46 -0.69 0
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44126 10500919 1 ClNSO4C19H22 ABCD4E19F22 -145.69 8.36 -10.12 -1.15 0
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44127 10500935 2 O2H10C13 A2B10C13 -79.04 2.78 -8.9 -1.19 0
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44128 10500949 1 O2N6C21H28 A2B6C21D28 -19.16 2.75 -8.1 -0.7 0
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44129 10500950 1 SO6C20H28 AB6C20D28 -277.38 3.08 -9.75 -0.73 0
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44130 10500967 1 ClO4C22H33 AB4C22D33 -209.93 2.57 -8.54 0.22 0
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44131 10500981 1 N3O7C18H27 A3B7C18D27 -295.97 6.77 -10.02 -0.87 0
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44132 10500982 1 N3O3H19C24 A3B3C19D24 -12.78 4.8 -8.05 -1.14 0
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44133 10501008 1 NSSiO3C20H35 ABCD3E20F35 -152.28 3.52 -8.63 -0.43 0
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44134 10501009 1 BrClN2O2C17H18 ABC2D2E17F18 -44.95 5.21 -9.32 -0.86 0
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44135 10501041 1 SF3O5C17H25 AB3C5D17E25 -367.62 5.22 -9.33 -1.84 0
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44136 10501059 2 NOC13H13 ABC13D13 13.05 5.3 -8.75 -0.49 0
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44137 10501060 1 ON4C25H26 AB4C25D26 44.6 2.45 -8.02 -0.57 0
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44138 10501065 1 N2O5C21H38 A2B5C21D38 -297.45 4.79 -9.26 0.69 0
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44139 10501079 2 C15H19 A15B19 113.5 0.13 -8.77 -0.07 0
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44140 10501080 1 FN2O2Cl3H10C17 AB2C2D3E10F17 -63.59 5.91 -9.8 -1.52 1
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44141 10501087 1 N2O4H19C21 A2B4C19D21 3.85 6.02 0.0 0.0 0
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44142 10501130 1 NSSiO2C22H29 ABCD2E22F29 -77.99 4.61 -9.37 -0.24 0
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44143 10501159 1 NSeO2C20H35 ABC2D20E35 -137.06 6.76 -8.51 -0.26 0
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44144 10501162 1 N2O3H24C25 A2B3C24D25 -52.86 2.39 -8.36 -0.4 0
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44145 10501163 1 F3O3C22H31 A3B3C22D31 -285.27 2.24 -9.99 -0.39 0
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44146 10501168 1 O7C21H36 A7B21C36 -349.9 2.76 -9.65 1.38 0
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44147 10501170 1 N2O4C23H32 A2B4C23D32 -126.65 1.49 -9.31 -0.88 0
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44148 10501172 1 ON4C25H28 AB4C25D28 67.68 6.61 -9.06 -0.32 0
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44149 10501208 1 BrSN2C20H21 ABC2D20E21 49.68 7.47 -8.68 -0.6 0
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44150 10501209 1 N3O7C19H19 A3B7C19D19 -231.21 6.64 -9.74 -1.52 0
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44151 10501211 1 BrO3C20H33 AB3C20D33 -178.98 3.04 -9.6 -0.04 0
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44152 10501212 1 NSF3O4C18H18 ABC3D4E18F18 -300.08 5.43 -8.46 -0.62 0
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44153 10501213 1 NF2S2O5H13C16 AB2C2D5E13F16 -256.72 5.95 -9.61 -1.03 0
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44154 10501214 1 NO7C21H23 AB7C21D23 -154.32 7.31 -8.71 -0.55 0
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44155 10501215 1 NO7C21H23 AB7C21D23 -205.35 2.74 -8.24 -0.2 0
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44156 10501216 1 N3O4H19C23 A3B4C19D23 -14.29 8.17 -8.69 -1.84 2
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44157 10501219 1 FeNOSiC21H35 ABCDE21F35 -102.56 2.47 -8.34 0.15 0
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44158 10501222 1 NO6C22H27 AB6C22D27 -231.86 5.1 -9.64 -0.05 0
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44159 10501223 1 NO4H23C25 AB4C23D25 -87.68 3.57 -9.55 -0.34 0
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44160 10501224 1 NO4H23C25 AB4C23D25 -53.18 2.09 -9.49 -0.6 0
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44161 10501229 1 O4N5C20H27 A4B5C20D27 -152.64 7.63 -8.9 -0.59 0
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44162 10501230 1 O3N7C19H27 A3B7C19D27 -81.33 8.0 -9.27 -1.16 0
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44163 10501231 1 ON7C22H23 AB7C22D23 105.12 7.95 -9.55 -0.62 0
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44164 10501248 1 NO2C27H31 AB2C27D31 -24.79 2.38 -9.43 0.08 0
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44165 10501253 1 OS2N3C21H27 AB2C3D21E27 22.54 4.62 -8.83 -0.16 0
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44166 10501255 1 NSi2O4C19H39 AB2C4D19E39 -319.56 2.84 -8.99 0.43 0
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44167 10501256 1 ClO3N5C19H20 AB3C5D19E20 -57.87 4.31 -9.36 -1.05 0
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44168 10501258 1 ClNO2C24H32 ABC2D24E32 -106.19 4.59 -9.26 -0.33 0