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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226201 87350021 1 SO3N4H24C27 AB3C4D24E27 -16.63 5.45 -9.12 -1.48 0
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226203 87350025 1 FSO3N4C23H31 ABC3D4E23F31 -99.16 6.28 -8.61 -0.64 0
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226204 87350030 4 ClHC2 ABC2 4.89 2.15 -9.48 -1.0 0
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226205 87350031 1 NSO3C24H45 ABC3D24E45 -179.02 4.38 -8.64 -0.59 0
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226206 87350049 1 FN5H20C29 AB5C20D29 125.97 6.75 -8.68 -1.16 0
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226207 87350055 1 SF3N3O3H24C27 AB3C3D3E24F27 -211.1 5.91 -9.03 -1.32 0
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226208 87350061 1 ClO2N3C12H16 AB2C3D12E16 -92.36 1.56 -9.3 -0.93 0
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226209 87350146 2 NS2H18C30 AB2C18D30 253.66 1.82 -8.1 -0.54 0
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226210 87350149 1 P2N5C16O17H27 A2B5C16D17E27 -825.53 6.21 -9.41 -1.11 0
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226211 87350153 1 NS2F3O7H8C15 AB2C3D7E8F15 -353.86 5.02 -9.28 -1.98 0
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226212 87350155 1 O3Cl5H5C9 A3B5C5D9 -134.24 2.62 -9.75 -1.35 0
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226213 87350157 1 SF2N4O4C26H40 AB2C4D4E26F40 -239.67 3.06 -8.34 -0.12 0
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226214 87350160 1 ClSN3O5H36C39 ABC3D5E36F39 -56.55 14.84 -8.3 -2.04 0
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226215 87350161 1 SN3O5H35C39 AB3C5D35E39 -64.04 8.77 -8.08 -1.23 0
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226216 87350164 1 BrO2C15H27 AB2C15D27 -129.17 3.86 -10.09 -1.1 0
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226217 87350165 1 NO5C37H71 AB5C37D71 -377.92 7.37 -10.64 -0.07 0
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226218 87350168 6 CNH3 ABC3 25.78 0.52 -9.4 -0.05 0
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226219 87350172 1 ZnP2O8C24H52 AB2C8D24E52 -458.12 47.2 -7.43 -4.23 0
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226220 87350173 1 SCl3N3O5H18C24 AB3C3D5E18F24 -113.42 7.86 -9.01 -1.57 0
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226221 87350174 1 N14O14C53H78 A14B14C53D78 -575.71 12.58 -9.16 -0.28 0
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226222 87350175 1 ClSO3N4F8H23C27 ABC3D4E8F23G27 -447.86 9.26 -8.78 -1.69 0
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226223 87350176 1 IO2C12H25 AB2C12D25 -143.01 5.52 -10.25 0.49 0
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226224 87350180 1 ClO2C10H21 AB2C10D21 -165.5 3.97 -11.01 0.54 0
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226226 87350183 1 N2O3C10H20 A2B3C10D20 -175.15 4.31 -9.68 0.67 0
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226227 87350184 1 FSN4O4C17H25 ABC4D4E17F25 -165.83 2.17 -9.24 0.0 0
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226228 87350188 1 F2N4O6C23H30 A2B4C6D23E30 -315.91 8.35 -9.29 -1.08 0
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226229 87350189 2 Si2O3C9H21 A2B3C9D21 -551.58 2.61 -9.8 0.38 0
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226230 87350190 2 Si2O3C9H21 A2B3C9D21 -554.58 2.77 -9.68 0.15 0
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226231 87350191 2 Si2O3C9H21 A2B3C9D21 -571.52 3.64 -9.55 0.08 0
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226232 87350195 1 N2O4C15H28 A2B4C15D28 -220.14 1.74 -9.9 -0.68 0
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226233 87350196 1 N2O3C20H40 A2B3C20D40 -224.61 6.7 -10.74 -0.16 0
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226234 87350201 1 ClSN4H13C21 ABC4D13E21 140.48 2.98 -8.51 -1.13 0
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226235 87350202 1 PO3C24H51 AB3C24D51 -303.56 1.54 -10.35 1.18 1
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226236 87350203 1 NPC5O6H13 ABC5D6E13 -290.48 3.76 0.0 0.0 1
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226237 87350204 1 NPC5O6H13 ABC5D6E13 -290.07 6.7 0.0 0.0 1
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226238 87350205 1 NPC5O5H11 ABC5D5E11 -240.93 4.27 0.0 0.0 0
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226239 87350206 1 ON3F6H11C17 AB3C6D11E17 -270.75 7.68 -8.8 -1.67 0
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226240 87350210 1 SF2N5O6C21H27 AB2C5D6E21F27 -258.36 2.84 -9.25 -1.68 0
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226241 87350212 1 N2O5C8H16 A2B5C8D16 -223.05 4.76 -9.8 -0.18 1
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226242 87350213 1 NSO5C17H18 ABC5D17E18 -143.13 0.56 0.0 0.0 0
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226243 87350217 1 FN3O3C32H32 AB3C3D32E32 -89.74 7.59 -8.57 -0.6 0
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226244 87350218 1 FO4N6C57H57 AB4C6D57E57 -20.88 4.47 -8.4 -0.63 0
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226245 87350219 1 SF2N5O6C22H29 AB2C5D6E22F29 -277.66 8.56 -8.35 -0.6 0
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226246 87350220 1 NO2C23H45 AB2C23D45 -135.04 4.14 -8.95 1.23 0
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226247 87350224 1 ClOC16H17 ABC16D17 7.55 4.88 -9.84 -0.87 0
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226248 87350225 1 N6O7C15H26 A6B7C15D26 -332.3 2.42 -10.03 0.12 0
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226249 87350227 1 BrON2H15C21 ABC2D15E21 60.24 2.37 -8.95 -0.97 0
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226250 87350228 1 BrOSN2H19C21 ABCD2E19F21 42.16 5.07 -8.88 -2.0 0
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226251 87350231 1 ON3H27C30 AB3C27D30 46.9 5.79 -8.59 -0.3 0
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226252 87350233 1 OSN2H18C20 ABC2D18E20 43.0 6.17 -8.77 -1.83 0