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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230154 87570311 1 NNaOC14H29 ABCD14E29 -81.92 3.71 0.0 0.0 0
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230155 87570313 1 IP6C12H13O19 AB6C12D13E19 -1158.22 6.1 -9.1 -2.13 0
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230156 87570322 1 O16C95H98 A16B95C98 -378.0 8.5 -9.07 -0.08 0
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230157 87570323 1 SN2C6H10 AB2C6D10 32.65 7.67 -8.97 -0.27 0
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230158 87570324 1 TiCl2H9C10 AB2C9D10 -44.22 7.68 0.0 0.0 0
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230159 87570325 1 IOF5C7H8 ABC5D7E8 -291.19 2.65 -10.33 -1.64 0
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230160 87570326 1 ClFNSO5H19C20 ABCDE5F19G20 -216.96 8.6 -10.26 -1.62 0
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230161 87570327 1 NC8H9 AB8C9 63.09 3.36 -8.26 -0.58 0
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230163 87570334 2 NSH5C8 ABC5D8 122.16 2.12 -8.94 -1.32 0
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230164 87570335 1 ClFOSN3C19H19 ABCDE3F19G19 -27.14 3.75 -9.03 -0.65 0
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230165 87570336 1 N2S2O5C12H16 A2B2C5D12E16 -205.52 7.34 -8.84 -1.3 0
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230166 87570342 1 ClOSN6C27H37 ABCD6E27F37 13.68 3.7 -8.83 -0.75 0
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230167 87570343 1 SiO2F3N3C17H24 AB2C3D3E17F24 -205.32 4.61 -8.94 -0.58 0
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230168 87570346 1 O2N4F7H27C31 A2B4C7D27E31 -326.59 3.17 -9.64 -1.53 0
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230169 87570347 1 SCl2O2N6C23H28 AB2C2D6E23F28 -18.14 8.65 -8.78 -1.36 1
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230170 87570348 1 N2C10H19 A2B10C19 6.41 2.23 0.0 0.0 0
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230171 87570350 1 PO13F15N18C81H84 AB13C15D18E81F84 -1187.86 12.73 -8.72 -0.91 0
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230172 87570351 1 NO4C13H25 AB4C13D25 -210.92 4.16 -9.63 -0.14 0
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230173 87570353 2 O4C6H9 A4B6C9 -377.17 3.92 -11.16 -0.47 0
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230174 87570355 1 S3O4C11H18 A3B4C11D18 -147.4 9.75 -9.42 -1.84 0
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230175 87570357 1 O7C17H30 A7B17C30 -183.76 2.45 -9.64 -0.19 0
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230176 87570359 1 O5C9H16 A5B9C16 -161.18 3.87 -9.36 -0.41 0
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230177 87570360 1 SO3C11H16 AB3C11D16 -104.07 10.07 -8.35 -0.31 0
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230178 87570361 2 ON3C8H8 AB3C8D8 29.72 3.45 -8.3 -1.75 0
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230179 87570363 1 ClFON3H13C16 ABCD3E13F16 1.78 8.37 -8.53 -1.1 0
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230180 87570365 2 O4C18H29 A4B18C29 -412.59 7.14 -8.37 -0.08 0
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230181 87570368 1 SC12H16 AB12C16 61.55 1.83 -9.2 -0.2 0
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230182 87570369 1 ClN3C15H16 AB3C15D16 55.94 5.71 -8.25 -0.84 0
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230183 87570370 1 O2Si4C8F9H9 A2B4C8D9E9 -482.79 15.77 -5.71 -2.36 0
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230184 87570372 1 Si4O6C15H36 A4B6C15D36 -544.17 2.64 -9.72 0.16 0
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230185 87570374 1 NNaOC18H35 ABCD18E35 -73.65 3.83 0.0 0.0 0
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230186 87570375 1 NNaOC18H35 ABCD18E35 -84.06 3.79 0.0 0.0 0
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230187 87570376 1 N2F3O6H21C22 A2B3C6D21E22 -314.09 9.81 -9.24 -1.13 0
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230188 87570382 1 TiCl2H7C9 AB2C7D9 -15.37 1.45 0.0 0.0 0
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230189 87570383 1 O2Cl3N3C15H16 A2B3C3D15E16 -59.18 4.82 -9.6 -0.97 0
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230190 87570388 1 BrF3C8H10 AB3C8D10 -136.74 1.04 -10.33 -0.67 0
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230191 87570390 1 N3O4Cl6H9C10 A3B4C6D9E10 -189.57 2.97 -10.5 -1.12 0
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230192 87570394 1 N3O8H17C19 A3B8C17D19 -118.99 8.33 -9.89 -2.01 0
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230193 87570396 1 ClSN2O2F3C16H18 ABC2D2E3F16G18 -223.43 2.5 -8.84 -0.92 0
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230194 87570397 1 O3F6C16H20 A3B6C16D20 -393.98 4.41 -8.56 -0.78 0
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230195 87570399 1 O2N6H14C15 A2B6C14D15 24.59 5.27 -8.78 -1.14 1
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230196 87570402 1 NO2C16H16 AB2C16D16 13.87 6.17 0.0 0.0 0
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230197 87570403 1 IO2C11H13 AB2C11D13 -56.54 0.85 -9.79 -0.35 0
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230198 87570404 1 IO2C11H13 AB2C11D13 -62.84 5.71 -9.71 -0.44 0
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230199 87570407 1 NaSO6H7C10 ABC6D7E10 -279.48 9.08 -9.49 -1.27 0
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230200 87570409 1 NaSO6H8C10 ABC6D8E10 -184.66 3.69 0.0 0.0 0
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230201 87570410 1 ClN2S2O4H19C22 AB2C2D4E19F22 -85.04 5.74 -9.14 -1.9 0
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230202 87570411 1 N3O3C20H23 A3B3C20D23 -50.59 6.49 -9.2 -0.8 0
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230203 87570413 1 SO4H9C13F17 AB4C9D13E17 -976.3 5.19 -10.61 -0.74 0
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230204 87570414 1 SO4H5C13F21 AB4C5D13E21 -1147.19 1.29 -10.83 -1.72 0
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230206 87570419 1 FO3N5C19H20 AB3C5D19E20 -35.86 5.49 -9.08 -0.99 0
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230207 87570421 2 SO2C39H58 AB2C39D58 -167.43 3.63 -8.12 -0.63 0
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230208 87570422 1 BrO3H15C22 AB3C15D22 -34.52 6.75 -9.29 -1.08 0
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230209 87570423 1 FeNO2C3H7 ABC2D3E7 52.77 5.88 -5.98 1.05 0
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230211 87570425 1 B2Cl2O5H8C16 A2B2C5D8E16 -98.87 5.3 -8.41 -1.8 0
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230212 87570427 1 NO2H19C21 AB2C19D21 19.05 8.02 -8.41 -0.62 0
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230213 87570428 2 OC13H24 AB13C24 -174.25 4.9 -9.12 0.81 0
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230214 87570429 2 OC13H24 AB13C24 -165.37 4.43 -9.56 0.81 0
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230215 87570431 3 OH4C6 AB4C6 -6.16 4.57 -9.23 -1.02 0
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230216 87570432 1 N3O4F6H15C21 A3B4C6D15E21 -417.57 0.95 -9.36 -2.18 0
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230217 87570442 1 O5N12C43H66 A5B12C43D66 -69.71 9.09 -8.3 -1.42 0
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230218 87570443 1 O4F8N9H21C27 A4B8C9D21E27 -377.58 6.68 -9.28 -1.61 0
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230219 87570445 1 O3N4H20C23 A3B4C20D23 -13.39 6.7 -8.83 -1.0 0
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230220 87570447 1 O5N10C36H52 A5B10C36D52 -42.65 6.78 -8.4 -2.45 0
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230221 87570452 1 N2S2F3O6H21C24 A2B2C3D6E21F24 -295.91 13.44 -9.64 -1.25 0
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230222 87570453 1 SN4O4C19H20 AB4C4D19E20 -122.13 3.95 -9.34 -1.06 0
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230224 87570458 1 ZrO6F8C26H36 AB6C8D26E36 -549.01 4.8 -6.76 -1.34 0
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230225 87570465 1 F2S2N3O7H19C25 A2B2C3D7E19F25 -229.7 9.15 -9.55 -1.41 0
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230226 87570467 1 NOC15H21 ABC15D21 -1.9 2.51 -8.96 0.12 0
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230227 87570468 1 F2S2N3O4C25H25 A2B2C3D4E25F25 -155.45 6.39 -8.16 -0.98 0
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230228 87570469 2 O12C35H40 A12B35C40 -485.22 4.27 -8.51 -0.2 0
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230229 87570470 1 NO5C21H31 AB5C21D31 -186.28 0.79 -9.2 0.33 0
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230230 87570472 1 N2O5C17H24 A2B5C17D24 -159.7 3.46 -9.23 -0.61 0
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230232 87570481 1 ON7C25H31 AB7C25D31 55.88 7.71 -8.94 -0.5 0
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230233 87570482 1 NO6C21H31 AB6C21D31 -226.43 9.31 -8.53 -0.12 0