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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408455 135081221 1 BrNOH12C14 ABCD12E14 33.28 3.99 -9.18 -0.79 0
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408456 135081222 2 OC6H8 AB6C8 -68.05 3.92 -8.78 0.14 0
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408457 135081223 1 ClO3C11H11 AB3C11D11 -92.75 3.87 -9.4 -0.38 0
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408458 135081224 1 SCl5C7H7 AB5C7D7 -15.98 2.91 -9.12 -0.88 0
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408459 135081225 2 OC7H13 AB7C13 -143.85 3.66 -9.75 0.61 0
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408460 135081226 1 FSC13H15 ABC13D15 -30.17 2.99 -8.73 -0.14 0
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408461 135081227 1 O4C13H18 A4B13C18 -170.0 4.23 -8.83 0.23 0
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408462 135081228 1 SBr3Cl3H4C10 AB3C3D4E10 56.58 0.81 -9.41 -1.6 0
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408463 135081229 1 ISC11H11 ABC11D11 67.8 2.18 -8.45 -1.03 0
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408464 135081230 1 NO3C13H15 AB3C13D15 -2.73 8.11 -9.76 -1.12 0
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408465 135081231 1 BrSF3H6C8 ABC3D6E8 -123.66 3.91 -9.54 -0.78 0
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408466 135081232 1 O2C9H16 A2B9C16 -117.81 3.72 -9.75 0.54 0
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408467 135081233 1 F3C11H11 A3B11C11 -137.66 3.0 -9.4 -0.22 0
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408468 135081234 1 BrOF2C9H17 ABC2D9E17 -182.56 1.9 -10.91 -1.29 0
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408469 135081235 1 O2C13H14 A2B13C14 -65.91 5.52 -9.83 -0.28 0
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408470 135081236 1 PCl2O3C10H19 AB2C3D10E19 -203.68 3.94 -9.93 -0.27 0
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408471 135081237 1 NO3C11H15 AB3C11D15 -117.29 2.49 -9.42 0.29 0
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408472 135081238 3 OC7H8 AB7C8 -78.53 2.97 -9.13 -2.0 0
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408475 135081241 1 NO6C25H35 AB6C25D35 -191.11 6.69 -8.04 -1.98 0
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408476 135081242 1 NO5C22H29 AB5C22D29 -196.02 10.64 -9.38 -1.65 0
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408477 135081243 1 O3C10H12 A3B10C12 -98.71 4.7 -10.06 -0.5 0
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408478 135081244 1 O4H10C11 A4B10C11 -92.23 2.88 -9.32 -0.75 0
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408479 135081245 1 O3C11H20 A3B11C20 -151.94 3.21 -10.13 1.17 0
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408480 135081246 1 O11C42H70 A11B42C70 -583.83 5.36 -9.92 0.0 0
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408481 135081247 1 CuS2N3F6O8H19C25 AB2C3D6E8F19G25 -385.91 8.39 0.0 0.0 0
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408482 135081248 1 N2O3H18C22 A2B3C18D22 25.14 7.89 -9.16 -1.37 1
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408483 135081249 1 N2O3H19C22 A2B3C19D22 17.08 6.05 0.0 0.0 0
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408484 135081250 1 INS2H4C6 ABC2D4E6 77.42 5.37 -8.34 -2.06 0
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408485 135081251 1 ClN2O3H13C16 AB2C3D13E16 -12.52 8.35 -9.24 -1.42 1
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408486 135081252 1 ClN2O3H14C16 AB2C3D14E16 -18.51 7.5 0.0 0.0 0
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408487 135081253 1 O3C10H16 A3B10C16 -147.4 6.72 -10.38 1.2 1
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408488 135081254 1 ON2C14H17 AB2C14D17 1.96 3.98 0.0 0.0 0
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408489 135081255 1 PN2H7C12 AB2C7D12 81.23 3.23 -8.35 -1.12 0
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408490 135081256 1 PtSBr2C5H10 ABC2D5E10 39.52 2.77 -9.48 -2.38 0
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408491 135081257 1 PtSI2C5H10 ABC2D5E10 31.57 2.93 -8.72 -2.71 0
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408492 135081258 1 PtSeCl2C5H10 ABC2D5E10 116.18 2.72 -9.17 -4.01 0
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408493 135081259 1 SeC5H10 AB5C10 9.76 1.3 -8.27 0.31 0
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408494 135081260 1 BNC9H18 ABC9D18 -46.62 2.65 -8.97 1.73 0
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408495 135081261 1 BNC11H18 ABC11D18 -14.85 2.77 -8.23 1.81 0
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408496 135081262 1 BNC13H22 ABC13D22 -28.94 2.62 -8.23 1.78 0
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408497 135081263 1 BSiC17H29 ABC17D29 -46.87 1.82 -8.05 0.5 0
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408498 135081264 1 BH23C26 AB23C26 88.49 0.8 -8.76 -0.3 0
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408499 135081265 1 BClH18C20 ABC18D20 30.5 0.87 -8.84 -0.39 1
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408500 135081266 1 KC15H23 AB15C23 16.04 10.09 -5.49 0.22 0
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408501 135081267 1 C15H23 A15B23 17.8 0.95 0.0 0.0 1
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408502 135081268 1 KC9H17 AB9C17 -5.52 8.97 -5.35 0.31 0
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408503 135081269 1 C9H17 A9B17 -6.81 0.44 0.0 0.0 1
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408504 135081270 1 NK2O2C13H23 AB2C2D13E23 -132.03 10.61 -5.56 0.28 0
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408505 135081271 1 NO2C13H24 AB2C13D24 -110.88 1.85 0.0 0.0 0
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408506 135081272 1 KC14H21 AB14C21 8.87 8.67 -6.27 0.45 0