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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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57171 22395425 2 C10H17 A10B17 -51.55 0.72 -9.04 0.6 0
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57172 22395427 6 C4H7 A4B7 -63.1 0.14 -8.66 0.67 0
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57173 22395428 2 O3C14H17 A3B14C17 -222.79 4.47 -8.99 -0.45 0
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57174 22395429 2 O3C18H25 A3B18C25 -241.88 1.42 -9.07 -0.27 0
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57175 22395430 1 FO6C18H21 AB6C18D21 -274.82 1.47 -9.37 -0.53 0
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57176 22395431 1 F2O6C19H22 A2B6C19D22 -313.04 1.37 -9.29 -0.53 4
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57179 22395436 1 PtN2O4 AB2C4 87.65 2.76 -10.91 -3.55 4
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57181 22395438 1 SC3O4H8 AB3C4D8 -163.35 3.99 -10.74 -0.89 0
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57182 22395439 1 O6N7C14H29 A6B7C14D29 -280.79 11.52 -9.71 0.14 0
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57183 22395440 1 OH12C14 AB12C14 9.32 1.96 -8.75 0.1 -1
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57184 22395441 1 O3H7C9 A3B7C9 -65.61 3.54 0.0 0.0 0
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57185 22395442 1 ON2C19H20 AB2C19D20 31.29 5.0 -9.18 -0.44 0
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57186 22395443 1 ClNF3O4H9C14 ABC3D4E9F14 -176.51 2.4 -9.99 -1.49 0
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57187 22395446 1 NSF3O5H8C13 ABC3D5E8F13 -303.36 3.4 -9.54 -1.81 -1
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57188 22395448 1 NSO2C9H14 ABC2D9E14 -12.05 3.02 0.0 0.0 7
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57189 22395450 1 AuCrNiPd ABCD 399.83 7.77 0.0 0.0 -3
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57190 22395457 1 CoN2O8C10H19 AB2C8D10E19 -424.63 9.82 -10.67 -5.3 2
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57191 22395459 1 CaSO3C15H24 ABC3D15E24 -105.51 4.54 -4.99 -1.38 2
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57192 22395460 1 CaSO3C16H34 ABC3D16E34 -157.86 3.74 -4.99 -1.38 0
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57193 22395461 1 ArNe AB 0.04 0.0 -4.87 3.49 0
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57194 22395463 1 ON5C7H9 AB5C7D9 100.28 7.57 -7.81 -1.09 9
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57195 22395464 1 BiSnZn ABC -390.05 7.88 0.0 0.0 0
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57196 22395465 1 BrN3C13H14 AB3C13D14 27.1 3.97 -8.75 -0.28 1
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57197 22395466 1 N3O10C14H24 A3B10C14D24 -415.77 8.68 0.0 0.0 -1
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57198 22395468 1 SO3C22H31 AB3C22D31 -70.91 0.82 0.0 0.0 -1
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57199 22395469 1 O2C19H29 A2B19C29 -65.73 4.97 0.0 0.0 0
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57200 22395471 2 NSC2O3H7 ABC2D3E7 -273.4 1.6 -9.75 -0.04 0
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57201 22395473 1 CSN2O3H6 ABC2D3E6 -123.67 3.09 -10.15 -0.62 0
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57202 22395474 1 OBr2C3H6 AB2C3D6 -54.49 2.76 -10.46 -0.87 0
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57203 22395475 1 PN2C4O4H7 AB2C4D4E7 -168.31 3.97 -10.27 -1.09 0
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57204 22395476 1 NO4C17H23 AB4C17D23 -135.26 3.65 -9.29 -0.02 0
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57205 22395478 1 NO3C13H23 AB3C13D23 -143.37 2.73 -9.14 -0.28 0
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57206 22395479 1 NO4C11H19 AB4C11D19 -157.88 3.03 -9.53 -0.12 0
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57207 22395480 1 NO2C11H21 AB2C11D21 -95.92 1.29 -8.87 -0.33 0
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57208 22395481 1 O2N7H13C14 A2B7C13D14 113.59 3.46 -9.39 -1.31 0
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57209 22395482 1 NO4C12H23 AB4C12D23 -195.97 4.12 -9.75 -0.22 0
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57210 22395483 1 ON2C6H12 AB2C6D12 -31.94 2.06 -9.18 0.04 0
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57211 22395486 1 ON2C10H20 AB2C10D20 -48.56 3.48 -8.81 0.5 0
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57212 22395487 1 NOC6H13 ABC6D13 -34.2 2.53 -9.14 1.39 0
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57213 22395488 1 NOC8H17 ABC8D17 -48.31 1.42 -9.18 1.31 0
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57214 22395489 1 NO4C11H19 AB4C11D19 -158.63 1.39 -9.42 -0.46 0
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57215 22395492 1 N3Na5O10C14H28 A3B5C10D14E28 -808.32 1.54 -9.14 1.17 0
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57216 22395494 1 PO3C8H15 AB3C8D15 -188.23 2.05 -9.93 0.29 -3
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57217 22395495 1 O8H11C15 A8B11C15 -134.3 4.05 0.0 0.0 -2
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57218 22395496 2 O3C5H5 A3B5C5 -213.29 2.26 -10.8 -0.36 0
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57219 22395497 1 NPO4C12H22 ABC4D12E22 -237.83 1.72 -9.89 0.27 0
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57220 22395498 1 NPO4C10H20 ABC4D10E20 -253.81 3.38 -9.84 0.39 -2
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57221 22395500 2 O3H6C7 A3B6C7 -132.68 1.21 -9.87 -0.73 0
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57222 22395501 1 NP2O9C10H19 AB2C9D10E19 -512.11 8.51 -10.26 -0.37 0
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57223 22395503 1 SO5C8H10 AB5C8D10 -175.1 8.15 -9.07 -0.82 0
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57224 22395504 1 ClNSO3C7H10 ABCD3E7F10 -118.52 2.86 -10.03 -1.11 0
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57225 22395505 5 OC6H10 AB6C10 -285.53 3.94 -8.6 0.39 0
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57226 22395506 2 O2C13H21 A2B13C21 -224.0 3.04 -8.78 0.1 0
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57227 22395509 1 CMgSH2O6 ABCD2E6 -315.18 2.05 -9.75 -0.61 0
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57228 22395511 2 OC14H26 AB14C26 -198.14 4.96 -10.43 0.84 0
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57229 22395512 2 OC11H21 AB11C21 -181.3 4.94 -10.59 0.7 0
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57230 22395513 1 SO4C22H38 AB4C22D38 -233.87 3.8 -9.51 -0.71 0
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57231 22395515 1 O3S3C44H72 A3B3C44D72 -220.46 4.07 -8.16 -0.88 0
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57232 22395516 3 OC6H10 AB6C10 -174.24 3.28 -8.51 0.25 0
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57233 22395517 1 OC15H24 AB15C24 -70.09 0.85 -8.87 0.23 0
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57234 22395518 1 SO4C30H56 AB4C30D56 -257.41 3.56 -9.63 -0.88 0
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57235 22395519 1 OC24H50 AB24C50 -154.11 1.42 -9.53 2.25 2
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57236 22395520 1 ClHMgO ABCD -106.11 1.39 -11.23 -0.8 0
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57237 22395522 1 ON2C8H14 AB2C8D14 -24.46 3.0 -8.52 0.0 0
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57238 22395523 1 OH6C10F16 AB6C10D16 -868.4 2.97 -12.01 -0.49 0
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57239 22395525 1 N2O3C7H10 A2B3C7D10 -33.02 9.79 -10.3 -0.95 1
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57240 22395527 1 NC7H18 AB7C18 -6.9 1.35 0.0 0.0 1
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57242 22395529 1 OC17H22 AB17C22 -39.71 3.39 -9.23 0.37 0
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57243 22395530 2 NH7C9 AB7C9 78.61 1.65 -8.91 -1.25 5
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57244 22395531 1 BWH3 ABC3 294.25 0.02 -6.56 -0.18 0
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57245 22395532 1 BSO2F4N6H11C13 ABC2D4E6F11G13 -138.97 3.67 -9.41 -2.22 0
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57246 22395534 1 C5H6 A5B6 67.38 0.96 -9.17 -0.1 0
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57247 22395536 1 NO2H17C18 AB2C17D18 -29.76 2.14 -8.21 -1.05 0
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57248 22395537 1 NO4H25C34 AB4C25D34 -52.13 2.71 -8.59 -1.34 0
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57249 22395538 1 NO3H17C21 AB3C17D21 -77.79 6.57 -8.66 -1.41 0