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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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186151 77396469 1 NOC7H13 ABC7D13 -49.71 1.03 -9.42 0.87 0
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186152 77396491 1 N3O6C17H19 A3B6C17D19 -213.83 2.91 -10.06 -0.55 0
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186153 77396812 1 SiO3C29H46 AB3C29D46 -208.76 1.87 -8.82 0.33 0
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186154 77396813 1 SiO3C31H48 AB3C31D48 -180.47 2.8 -8.8 0.34 0
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186155 77396893 2 O2C7H12 A2B7C12 -207.34 1.43 -10.57 0.59 0
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186156 77396894 1 O3C18H26 A3B18C26 -50.81 1.38 -9.5 0.11 0
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186157 77396895 1 O3C16H24 A3B16C24 -64.7 2.07 -9.16 0.04 0
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186158 77396896 1 NO2C11H13 AB2C11D13 -53.93 1.01 -9.83 -0.12 0
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186159 77397040 1 N2O2C13H14 A2B2C13D14 12.87 4.92 -9.23 -1.83 0
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186160 77397092 1 O5N8C50H50 A5B8C50D50 -28.97 7.13 -8.5 -0.35 0
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186161 77397271 1 SN4O4C19H28 AB4C4D19E28 -141.59 4.28 -8.67 -0.21 0
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186162 77397272 1 N5O5C21H31 A5B5C21D31 -184.99 3.23 -8.76 -0.05 0
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186163 77397273 1 O2N5C21H31 A2B5C21D31 -65.38 3.24 -8.53 -0.06 0
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186164 77397999 1 F2O3N4C23H26 A2B3C4D23E26 -140.92 3.01 -8.99 -0.66 0
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186165 77398031 1 O6C29H44 A6B29C44 -331.57 3.13 -9.3 0.78 0
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186166 77398125 1 NO15C30H39 AB15C30D39 -663.33 6.06 -8.54 0.11 0
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186167 77398126 1 N2O5C34H38 A2B5C34D38 -178.37 5.83 -8.48 0.05 0
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186168 77398203 1 NOC9H11 ABC9D11 -7.6 9.18 -9.47 -1.02 0
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186169 77398406 1 N3O3C29H31 A3B3C29D31 -42.67 3.07 -8.76 -0.81 0
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186170 77398407 1 N3O3C29H31 A3B3C29D31 -46.44 3.81 -8.84 -0.71 0
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186171 77398408 1 NOH43C57 ABC43D57 229.87 1.58 -8.15 -0.59 0
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186172 77398448 1 O2N11C31H39 A2B11C31D39 49.62 6.35 -8.3 -0.84 0
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186173 77398470 1 O3N5C30H31 A3B5C30D31 -38.45 0.98 -8.26 -0.61 0
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186174 77399274 1 ON5C21H25 AB5C21D25 23.43 5.44 -9.1 -1.05 0
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186175 77399275 1 O9C18H20 A9B18C20 -317.87 11.18 -9.05 -0.65 0
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186176 77399276 2 O5C9H10 A5B9C10 -358.91 9.47 -9.16 -0.77 0
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186177 77399353 1 SO5N6C22H36 AB5C6D22E36 -202.97 5.14 -8.87 -0.22 0
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186178 77399565 1 BrN2O4H15C20 AB2C4D15E20 -86.62 9.72 -9.49 -1.91 0
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186179 77399650 2 O2N3C15H15 A2B3C15D15 -48.18 3.76 -8.26 -0.87 0
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186180 77399755 1 FN2O3C27H29 AB2C3D27E29 -112.93 4.93 -8.69 -0.51 0
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186181 77399861 1 NO2C27H41 AB2C27D41 -98.3 2.21 -8.93 1.33 0
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186182 77399862 1 NO2C28H45 AB2C28D45 -143.81 2.32 -8.65 1.73 0
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186183 77400098 1 N3O5H25C35 A3B5C25D35 13.56 10.75 -8.95 -1.58 0
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186184 77400099 1 N3O4C28H31 A3B4C28D31 -93.02 4.5 -8.56 -0.99 0
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186185 77400351 1 BrSO3C14H15 ABC3D14E15 -101.43 2.03 -8.69 -1.12 0
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186186 77400352 2 N4O5C23H30 A4B5C23D30 -302.6 6.01 -8.63 -0.89 0
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186187 77400353 2 O3N4C21H26 A3B4C21D26 -174.51 1.31 -8.3 -0.67 0
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186188 77400776 1 FSN4O5H19C20 ABC4D5E19F20 -182.3 4.85 -8.31 -0.94 0
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186189 77400777 1 FSO3N4C11H13 ABC3D4E11F13 -119.52 1.21 -8.53 -0.72 0
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186190 77400778 1 SN4O4C13H16 AB4C4D13E16 -124.46 3.22 -8.38 -0.49 0
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186191 77400779 1 SN4O5H22C25 AB4C5D22E25 -95.38 4.78 -8.24 -0.86 0
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186192 77400780 1 SN4O6C17H22 AB4C6D17E22 -220.84 2.02 -8.01 -0.22 0
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186193 77401301 1 NO3C25H27 AB3C25D27 -78.11 5.03 -8.82 -0.66 0
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186194 77401965 2 N2O3C14H23 A2B3C14D23 -272.94 6.41 -8.52 0.32 0
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186195 77402153 1 N5O5C19H31 A5B5C19D31 -212.9 6.43 -9.54 -0.34 0
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186196 77402154 2 O2C10H15 A2B10C15 -166.14 7.07 -9.63 0.65 0
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186197 77402155 1 O5N6C19H36 A5B6C19D36 -219.99 6.76 -9.05 0.1 0
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186198 77402870 1 ClS2N4O6C31H33 AB2C4D6E31F33 -198.03 5.37 -8.64 -0.9 1
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186199 77402871 1 IN3O3H25C27 AB3C3D25E27 9.03 5.07 0.0 0.0 0
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186200 77402872 1 ClF2S2N4O5H25C30 AB2C2D4E5F25G30 -193.04 4.46 -8.85 -1.26 0