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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52335 12015167 1 SO3C7H12 AB3C7D12 -110.59 3.22 -9.16 -0.23 0
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52336 12015168 1 SO4C11H22 AB4C11D22 -148.84 0.87 -8.82 0.08 0
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52337 12015169 1 SO3C7H12 AB3C7D12 -110.74 2.92 -9.12 -0.16 0
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52338 12015170 1 SO4C11H22 AB4C11D22 -146.01 2.49 -8.95 -0.03 0
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52339 12015171 1 SO3C8H14 AB3C8D14 -119.52 1.63 -9.16 -0.25 0
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52340 12015172 1 SO4C12H24 AB4C12D24 -155.99 3.73 -9.02 -0.06 0
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52341 12015173 1 SO3C8H14 AB3C8D14 -119.76 3.2 -9.11 -0.19 0
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52342 12015174 1 SO4C12H24 AB4C12D24 -153.41 2.57 -8.9 0.02 0
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52343 12015175 1 SO3C9H16 AB3C9D16 -128.18 3.04 -9.06 -0.14 0
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52344 12015176 1 SO4C13H26 AB4C13D26 -156.43 3.3 -8.79 0.07 0
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52345 12015177 1 OSC10H12 ABC10D12 5.81 1.73 -9.13 -0.31 1
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52346 12015182 1 OC16H27 AB16C27 -69.14 0.14 0.0 0.0 0
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52347 12015183 1 ClNO4C17H30 ABC4D17E30 -21.01 27.35 -10.59 -2.4 1
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52348 12015184 1 NC17H30 AB17C30 -30.89 1.81 0.0 0.0 1
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52349 12015188 1 NC22H32 AB22C32 -1.63 1.42 0.0 0.0 0
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52350 12015190 1 NO4H9C15 AB4C9D15 -94.51 9.25 -9.34 -1.43 0
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52351 12015191 1 NSO2C16H21 ABC2D16E21 -51.49 6.48 -8.44 -0.49 0
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52352 12015192 1 NSO6C19H21 ABC6D19E21 -206.59 6.29 -8.81 -0.59 0
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52353 12015193 1 NSO6C20H23 ABC6D20E23 -217.13 6.87 -8.51 -0.76 0
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52354 12015194 1 O3C13H18 A3B13C18 -131.1 4.39 -9.01 -0.37 0
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52355 12015195 1 NO5H7C8 AB5C7D8 -100.41 2.15 -10.47 -1.78 0
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52356 12015197 1 NCl2O4H9C12 AB2C4D9E12 -142.38 6.03 -10.54 -1.67 0
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52357 12015198 1 ClNO4H12C13 ABC4D12E13 -148.84 6.35 -10.45 -1.6 0
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52358 12015199 1 NO5C13H13 AB5C13D13 -171.49 5.83 -9.91 -1.59 0
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52359 12015200 1 ClO3C7H13 AB3C7D13 -153.91 2.63 -9.94 0.14 0
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52360 12015201 1 NO6C11H15 AB6C11D15 -257.53 3.13 -11.17 0.25 0
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52361 12015203 1 NC11H21 AB11C21 -17.06 1.3 -8.59 1.28 0
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52362 12015204 1 NC10H19 AB10C19 8.33 1.92 -8.74 0.5 0
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52363 12015205 1 NC12H23 AB12C23 -2.25 1.99 -8.74 0.47 0
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52364 12015206 1 SN4C9H22 AB4C9D22 -5.82 4.86 -8.44 0.35 0
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52365 12015207 1 SO3C24H34 AB3C24D34 -149.24 5.06 -8.61 -0.37 0
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52366 12015208 1 SO3C25H36 AB3C25D36 -149.17 5.78 -8.75 -0.45 0
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52367 12015209 1 SN3O4C15H25 AB3C4D15E25 -85.84 5.03 -9.81 -1.06 0
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52368 12015210 1 SBr3O3H13C15 AB3C3D13E15 -88.2 6.23 -9.36 -0.81 0
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52369 12015211 1 NSO5C19H23 ABC5D19E23 -120.78 5.93 -9.02 -1.69 0
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52370 12015212 1 N5C8H15 A5B8C15 80.35 1.03 -8.85 -0.65 0
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52371 12015213 1 N3C8H15 A3B8C15 24.72 2.86 -8.6 0.88 0
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52372 12015214 1 NaN2H3O3C5 AB2C3D3E5 -104.15 14.0 -8.72 -1.46 0
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52373 12015216 1 NNaS2O3C8H8 ABC2D3E8F8 -152.73 8.55 -8.21 -0.22 0
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52374 12015217 2 SN2H5C8 AB2C5D8 151.07 1.91 -8.83 -1.72 0
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52375 12015218 1 O2N3C10H13 A2B3C10D13 10.75 8.89 -9.22 -0.5 0
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52376 12015220 1 O2N3C10H13 A2B3C10D13 -14.18 5.1 -8.98 -0.54 0
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52377 12015221 1 O2N3C9H11 A2B3C9D11 -6.33 4.75 -9.19 -0.63 0
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52378 12015222 1 O2N3C6H13 A2B3C6D13 -43.99 4.2 -9.48 -0.01 0
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52379 12015224 1 N3O4C7H13 A3B4C7D13 -109.56 9.49 -10.3 -0.83 0
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52380 12015225 1 O2N3C9H19 A2B3C9D19 -60.12 3.13 -8.6 0.17 0
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52381 12015226 1 N3O3C7H13 A3B3C7D13 -78.85 3.47 -9.04 0.01 0
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52382 12015228 2 NO2H8C11 AB2C8D11 -4.0 7.98 -8.66 -1.84 0
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52383 12015229 1 N2O5H14C21 A2B5C14D21 -25.03 8.44 -8.62 -1.86 0
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52384 12015230 1 N3O4H17C22 A3B4C17D22 14.59 9.41 -8.4 -1.77 0
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52385 12015231 1 NO8C24H29 AB8C24D29 -322.93 3.34 -9.21 -0.74 0
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52386 12015232 1 ClNO8C23H26 ABC8D23E26 -328.81 2.73 -9.27 -1.08 0
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52387 12015233 1 NO5C21H21 AB5C21D21 -169.32 4.08 -8.93 -0.71 0
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52388 12015237 1 ClNO6C22H22 ABC6D22E22 -223.18 8.08 -9.07 -0.74 0
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52389 12015238 1 NO7C22H23 AB7C22D23 -268.58 4.72 -9.32 -0.82 0
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52390 12015239 1 NO4H15C16 AB4C15D16 -127.25 4.99 -8.89 -0.46 0
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52391 12015242 1 NO5C22H23 AB5C22D23 -183.82 0.98 -9.0 -1.2 0
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52392 12015243 1 ClNO5H20C21 ABC5D20E21 -181.67 1.99 -9.32 -1.54 0
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52393 12015244 2 O2H6C7 A2B6C7 -91.19 3.56 -10.19 -0.79 0
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52394 12015245 2 O2C9H9 A2B9C9 -59.4 4.0 -10.13 -0.88 0
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52395 12015246 2 O2C7H8 A2B7C8 -72.95 0.88 -10.19 -1.17 0
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52396 12015247 1 O6C33H40 A6B33C40 -161.14 4.45 -8.6 0.32 0
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52397 12015249 2 O2C5H5 A2B5C5 -89.2 4.39 -10.59 -1.03 0
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52398 12015250 1 O6C29H34 A6B29C34 -125.29 1.27 -8.63 -0.26 0
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52399 12015254 1 NOC15H21 ABC15D21 -37.92 3.56 -8.14 0.19 0
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52400 12015255 1 NOC15H23 ABC15D23 -52.83 2.27 -8.21 0.45 0
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52401 12015256 1 NOC15H21 ABC15D21 -40.73 3.3 -8.29 0.37 0
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52402 12015257 1 NO3C17H21 AB3C17D21 -109.6 4.71 -8.32 0.07 0
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52403 12015258 1 NO4C18H23 AB4C18D23 -174.35 4.04 -8.74 -0.06 0
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52404 12015259 1 NO3C18H25 AB3C18D25 -130.05 2.76 -8.05 0.16 1
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52405 12015261 1 N3O3C17H20 A3B3C17D20 -27.09 5.31 0.0 0.0 0
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52406 12015262 1 N3O4C18H21 A3B4C18D21 -110.42 1.58 -8.71 -0.86 1
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52407 12015263 1 N3O4C18H22 A3B4C18D22 -94.66 3.78 0.0 0.0 0
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52408 12015264 1 N3O3C18H23 A3B3C18D23 -67.12 3.1 -8.04 -0.98 0
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52409 12015266 1 NO3C17H19 AB3C17D19 -102.0 2.12 -8.4 -0.15 0