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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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389425 134992856 1 BrOC9H19 ABC9D19 -82.32 3.61 -9.94 0.08 0
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389426 134992861 1 O2C13H18 A2B13C18 -87.1 1.29 -10.0 -0.64 0
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389427 134992865 1 ClNaC2O2S2H4 ABC2D2E2F4 -121.18 11.07 -8.73 -0.52 0
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389428 134992866 1 O3C15H22 A3B15C22 -116.22 2.05 -9.58 0.16 0
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389429 134992867 1 OC13H16 AB13C16 -31.84 2.4 -9.34 0.46 0
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389430 134992869 1 S2O3C10H12 A2B3C10D12 -70.15 7.05 -8.18 -0.18 0
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389431 134992875 1 BrOSi2C10H23 ABC2D10E23 -115.22 2.15 -9.52 -0.01 0
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389432 134992880 1 INO2C12H14 ABC2D12E14 -52.99 4.72 -9.9 -1.3 0
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389433 134992886 1 O4C13H18 A4B13C18 -110.82 4.85 -9.71 0.43 0
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389434 134992888 1 OSeH12C13 ABC12D13 25.27 1.64 -8.38 -0.34 0
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389435 134992890 1 PN2O3C8H13 AB2C3D8E13 -157.24 7.52 -9.08 -0.34 0
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389436 134992894 1 NS2O3C11H20 AB2C3D11E20 -99.87 6.17 0.0 0.0 0
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389437 134992895 1 O2C9H14 A2B9C14 -76.5 5.14 -9.96 -0.32 0
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389438 134992904 1 O3C8H14 A3B8C14 -145.24 1.0 -10.48 0.63 0
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389439 134992906 1 SiO2C15H30 AB2C15D30 -155.77 4.94 -8.74 0.14 0
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389440 134992910 1 SiO2C14H24 AB2C14D24 -51.2 1.04 -9.18 -0.22 0
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389441 134992916 1 SI2C8H12 AB2C8D12 3.37 3.62 -8.83 -1.18 0
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389442 134992927 1 OC16H30 AB16C30 -92.51 1.17 -9.36 0.84 0
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389443 134992931 1 OC10H18 AB10C18 -54.57 2.42 -9.9 2.4 0
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389444 134992935 1 FSO2C12H15 ABC2D12E15 -80.38 5.35 -8.7 -0.28 0
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389445 134992936 1 NSe2C15H15 AB2C15D15 69.85 1.55 -8.21 -0.5 0
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389446 134992960 1 IO3C9H11 AB3C9D11 -70.11 2.42 -9.55 -0.78 0
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389447 134992966 1 NO3C13H23 AB3C13D23 -166.35 4.78 -9.52 1.17 0
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389448 134992967 2 OC6H11 AB6C11 -123.46 1.88 -9.93 0.78 0
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389449 134992971 1 INO3C13H22 ABC3D13E22 -142.16 3.96 -9.51 -0.61 0
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389450 134992981 1 SeC15H30 AB15C30 -46.8 2.05 -8.23 0.31 0
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389452 134992992 2 OC6H9 AB6C9 -83.37 4.43 -9.88 -0.24 0
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389453 134993010 1 O2C15H30 A2B15C30 -125.01 2.72 -9.56 1.21 0
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389454 134993024 1 NSe2C15H15 AB2C15D15 68.02 1.01 -8.11 -0.2 0
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389456 134993037 1 O5C9H16 A5B9C16 -253.88 3.12 -10.68 0.58 0
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389457 134993048 1 ClOC11H13 ABC11D13 -28.19 2.52 -9.61 0.09 0
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389458 134993074 1 NS2O5C11H15 AB2C5D11E15 -177.89 2.68 -10.18 -0.85 0
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389459 134993084 2 O2C7H11 A2B7C11 -196.02 2.9 -10.31 -0.52 0
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389460 134993085 1 O3C8H14 A3B8C14 -140.0 1.0 -10.2 0.35 0
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389461 134993114 1 O3C11H18 A3B11C18 -66.03 2.15 -9.84 0.02 0
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389462 134993115 1 SN2O4C11H22 AB2C4D11E22 -207.11 5.75 -9.6 0.49 0
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389463 134993118 1 O3C10H16 A3B10C16 -62.85 1.42 -9.85 -0.12 0
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389464 134993120 1 SO6C9H16 AB6C9D16 -264.81 5.4 -10.14 0.43 0
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389465 134993123 1 BrOC6H11 ABC6D11 -47.9 1.28 -10.18 -0.43 0
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389466 134993125 1 FO3C5H9 AB3C5D9 -181.72 1.48 -10.43 0.0 0
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389467 134993134 1 SiO2C16H32 AB2C16D32 -161.71 0.77 -8.45 0.43 0
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389468 134993136 1 IO2C9H9 AB2C9D9 -11.46 2.31 -9.73 -1.41 0
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389469 134993137 1 SiO2C15H32 AB2C15D32 -176.22 1.24 -8.85 1.22 0
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389470 134993152 1 OC7H12 AB7C12 -6.32 2.47 -9.95 1.91 0
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389471 134993169 1 ISe2C8H15 AB2C8D15 8.99 2.09 -8.81 -1.95 0
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389472 134993170 2 BrC3H3 AB3C3 41.87 1.49 -9.73 -0.63 0
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389473 134993174 3 OC2H4 AB2C4 -84.34 2.16 -9.7 0.16 0
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389474 134993175 1 NaO2S2C8H9 AB2C2D8E9 -125.2 10.65 -8.22 -0.31 -2
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389475 134993177 1 PC5O7H9 AB5C7D9 -263.19 4.99 -10.22 -1.49 0
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389476 134993182 2 OC4H5 AB4C5 13.53 3.36 -8.87 0.15 0
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389477 134993183 1 SCl2O3C6H10 AB2C3D6E10 -149.68 5.1 -11.39 -1.76 0
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389478 134993190 1 SiO2C16H24 AB2C16D24 -81.68 1.85 -8.88 0.08 0
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389479 134993191 1 OC13H18 AB13C18 -46.48 2.39 -9.42 0.38 0
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389480 134993192 2 O2C7H9 A2B7C9 -138.9 2.41 -9.94 -0.49 0
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389481 134993213 1 NOC13H25 ABC13D25 -64.82 1.63 -8.18 1.26 0
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389482 134993214 1 OSN3C4H5 ABC3D4E5 76.43 3.77 -8.9 -1.69 0
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389483 134993219 1 TeC13H18 AB13C18 13.82 2.28 -7.94 -0.05 0
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389484 134993220 1 OTeC12H12 ABC12D12 22.62 1.38 -8.11 -0.25 0
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389485 134993221 1 OTeC12H12 ABC12D12 24.52 1.52 -8.14 -0.13 0
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389486 134993223 1 TeC17H32 AB17C32 -36.14 2.43 -7.9 0.05 0
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389487 134993232 1 IOC6H11 ABC6D11 -29.38 3.22 -9.36 -0.64 0
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389488 134993234 2 O2C4H7 A2B4C7 -54.17 0.58 -9.88 -0.72 0
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389489 134993236 1 O2C11H24 A2B11C24 -147.14 4.45 -10.11 2.68 0
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389490 134993247 1 OC10H12 AB10C12 -12.53 1.81 -9.45 0.27 0
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389491 134993258 1 O3C13H14 A3B13C14 -61.2 3.08 -9.13 -0.15 0
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389493 134993297 2 C7H9 A7B9 99.52 0.34 -9.22 1.26 0
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389494 134993298 2 H8C9 A8B9 109.18 0.43 -9.24 0.26 0
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389495 134993302 2 OC7H12 AB7C12 -106.3 1.46 -9.62 0.84 0
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389496 134993303 1 NOC13H21 ABC13D21 -55.39 4.15 -9.1 -0.04 0
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389497 134993304 2 OC7H9 AB7C9 -72.05 4.61 -9.74 -0.23 0
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389498 134993313 1 Si2O3C12H18 A2B3C12D18 -4.81 6.84 -7.37 -1.74 0
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389499 134993320 1 PO2C15H21 AB2C15D21 -107.54 4.08 -8.73 0.31 0
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389500 134993334 1 SiO2C16H32 AB2C16D32 -167.75 1.78 -8.82 0.62 0
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389501 134993335 1 SiC14H24 AB14C24 -14.08 1.21 -8.72 0.21 0
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389503 134993343 1 O3C13H16 A3B13C16 -101.37 3.36 -9.73 0.03 0