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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399343 135039764 1 OC16H20 AB16C20 -4.76 2.65 -9.2 0.35 0
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399344 135039767 1 ClO2H15C17 AB2C15D17 -35.92 3.31 -9.57 -1.16 0
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399345 135039778 1 NO3C14H19 AB3C14D19 -90.59 1.86 -9.1 0.17 0
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399346 135039781 1 O3C17H22 A3B17C22 -123.66 1.86 -9.46 -0.02 0
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399347 135039791 1 NO2C16H21 AB2C16D21 -43.59 2.2 -8.93 -0.01 0
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399348 135039792 1 ON3C12H19 AB3C12D19 -1.12 3.6 -9.85 -0.17 0
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399349 135039793 1 C9O10H14 A9B10C14 -424.17 8.31 -10.87 -1.63 0
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399350 135039794 1 SO2C14H16 AB2C14D16 -38.61 2.85 -9.24 -0.44 0
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399351 135039795 1 SiO2C14H28 AB2C14D28 -162.2 3.82 -8.71 0.42 0
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399352 135039796 1 NO4C14H21 AB4C14D21 -147.08 2.86 -9.3 0.27 0
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399353 135039797 1 IOC11H11 ABC11D11 2.93 1.63 -9.36 -0.88 0
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399354 135039798 1 NO4C14H17 AB4C14D17 -151.04 3.16 -9.45 0.3 0
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399355 135039799 1 NO2C11H21 AB2C11D21 -114.85 2.59 -9.46 1.94 0
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399356 135039801 1 N2S2O3C10H20 A2B2C3D10E20 -94.1 3.23 -8.46 -0.1 0
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399357 135039802 1 O3C12H22 A3B12C22 -144.1 3.76 -9.62 0.47 0
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399358 135039803 1 ON2C16H18 AB2C16D18 -1.08 4.07 -8.66 -0.15 0
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399359 135039804 1 O3C14H16 A3B14C16 -105.65 3.71 -9.81 -0.64 0
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399360 135039807 1 NOF5H6C12 ABC5D6E12 -204.5 0.3 -10.56 -1.46 1
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399361 135039818 1 PO2C26H34 AB2C26D34 -23.52 7.49 0.0 0.0 0
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399362 135039821 1 SiO4C15H30 AB4C15D30 -263.26 2.93 -8.73 0.07 0
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399363 135039839 1 NO2C14H19 AB2C14D19 -92.4 4.04 -9.54 0.15 0
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399364 135039846 1 NO2C7H11 AB2C7D11 10.0 4.25 -10.7 -0.5 0
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399365 135039878 1 NOH13C15 ABC13D15 56.12 1.93 -8.35 -0.44 0
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399366 135039892 1 OC15H24 AB15C24 -67.03 1.96 -8.76 0.99 1
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399367 135039906 1 ON2C14H23 AB2C14D23 -6.84 6.01 0.0 0.0 0
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399368 135039913 1 NH15C17 AB15C17 57.15 3.05 -8.21 -0.2 -1
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399369 135039926 1 O2Cl3H8C9 A2B3C8D9 -61.08 2.83 0.0 0.0 -1
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399370 135039938 1 O2C8H11 A2B8C11 -47.54 2.81 0.0 0.0 -1
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399371 135039940 1 OH11C13 AB11C13 69.69 2.01 0.0 0.0 0
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399372 135039960 1 NC13H15 AB13C15 78.58 4.15 -8.14 -0.11 -1
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399373 135039961 1 ON3C8H8 AB3C8D8 95.26 1.71 0.0 0.0 0
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399374 135039962 1 ON3C8H9 AB3C8D9 76.87 4.27 -9.79 -0.51 0
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399375 135039963 1 NCl2O2C11H17 AB2C2D11E17 -108.95 4.91 -10.82 0.06 0
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399376 135039964 1 SiO5C12H24 AB5C12D24 -306.49 4.96 -9.18 0.41 0
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399377 135039965 1 NOC13H25 ABC13D25 -48.21 1.48 -9.49 1.39 0
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399378 135039966 1 SO2N4C12H16 AB2C4D12E16 12.58 8.2 -9.54 -0.26 0
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399379 135039967 1 NO3C16H17 AB3C16D17 -99.57 5.81 -10.32 -1.28 0
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399380 135039968 1 H3O4C7N7 A3B4C7D7 163.91 7.76 -9.91 -2.37 0
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399381 135039970 1 NH15C16 AB15C16 80.37 1.73 -8.12 -0.43 0
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399382 135039971 1 FNH12C15 ABC12D15 38.98 2.22 -8.96 -0.86 0
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399383 135039972 1 NO4C14H25 AB4C14D25 -228.61 7.26 -10.13 0.29 0
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399384 135039973 1 NC16H17 AB16C17 76.77 1.56 -8.94 0.22 -1
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399385 135039974 1 N3O3C10H12 A3B3C10D12 -6.29 2.07 0.0 0.0 0
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399386 135039975 1 OH16C17 AB16C17 49.37 1.25 -8.54 0.08 0
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399387 135039976 1 NOH7C9 ABC7D9 32.11 1.78 -8.9 -0.58 0
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399388 135039977 1 O2C13H20 A2B13C20 -97.81 2.84 -9.31 0.42 0
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399389 135039981 1 O3C15H22 A3B15C22 -128.11 1.97 -9.0 0.85 0
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399390 135039985 1 SO4C9H16 AB4C9D16 -198.66 7.83 -10.77 0.07 0
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399391 135040011 1 NOC9H15 ABC9D15 -28.7 1.25 -9.28 0.38 0
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399392 135040013 1 NSC11H11 ABC11D11 86.43 0.86 -9.2 -0.61 0
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399393 135040018 3 OC4H4 AB4C4 -96.26 2.18 -9.88 -0.82 0
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399394 135040019 1 N2O2H12C15 A2B2C12D15 42.09 6.44 -8.73 -0.36 0
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399395 135040039 1 SO2C13H14 AB2C13D14 -44.95 3.21 -9.29 -0.57 0
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399396 135040071 1 MoNO3H7C9 ABC3D7E9 139.63 6.33 -7.55 -0.32 0
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399397 135040085 1 OC15H22 AB15C22 -42.82 3.03 -9.5 0.68 0
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399398 135040087 1 O5H14C15 A5B14C15 -114.84 3.99 -8.89 -1.69 0
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399399 135040091 1 NOC14H17 ABC14D17 -18.25 7.2 -8.61 0.0 0
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399400 135040105 1 NO4H13C15 AB4C13D15 -74.06 4.55 -9.23 -0.81 0
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399402 135040129 1 BrO2C10H13 AB2C10D13 -71.69 4.77 -10.16 -0.2 0
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399404 135040135 1 SC12H15 AB12C15 51.48 1.64 0.0 0.0 0
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399405 135040137 1 ON2C10H16 AB2C10D16 -42.8 3.86 -9.39 0.89 0
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399406 135040139 1 N3O3C7H13 A3B3C7D13 -75.68 4.05 -9.85 0.1 0
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399407 135040143 1 BrNOC13H14 ABCD13E14 -8.51 4.23 -9.02 -0.68 0
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399408 135040144 1 ON2C13H16 AB2C13D16 -38.0 3.61 -8.15 0.1 0
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399409 135040145 1 SO2H8C11 AB2C8D11 -7.62 1.31 -9.12 -1.97 0
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399410 135040146 1 OC19H30 AB19C30 -46.48 1.79 -8.88 0.58 0
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399411 135040147 1 O3C15H20 A3B15C20 -89.05 2.09 -9.94 0.34 0
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399412 135040153 1 O2C15H26 A2B15C26 -115.31 2.09 -8.86 1.08 0
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399413 135040154 1 NOC18H21 ABC18D21 -6.37 1.91 -8.52 0.2 0
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399414 135040155 1 O3H4N4C8 A3B4C4D8 32.04 3.5 -10.0 -1.92 0
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399415 135040156 2 OC5H8 AB5C8 -84.81 1.94 -10.07 0.85 0
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399416 135040157 1 H18C19 A18B19 54.1 0.88 -8.37 -0.38 -2
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399417 135040162 1 YN2C4H10 AB2C4D10 74.02 1.57 0.0 0.0 0
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399418 135040174 2 O2C7H11 A2B7C11 -168.07 5.0 -8.71 0.26 0
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399419 135040178 1 O4C11H18 A4B11C18 -192.64 1.98 -10.36 -0.04 0
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399420 135040180 1 NSO3C15H19 ABC3D15E19 -77.47 3.99 -10.27 -0.64 0
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399421 135040188 1 FNOC13H14 ABCD13E14 -59.07 5.83 -9.03 -0.62 0
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399422 135040190 1 FO2H11C16 AB2C11D16 -32.9 1.71 -9.34 -1.16 1
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399423 135040200 1 N2C9H19 A2B9C19 14.01 0.89 0.0 0.0 0
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399424 135040206 1 SO2Si2C15H28 AB2C2D15E28 -78.57 1.45 -8.45 -0.55 0
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399426 135040209 1 NO2C15H29 AB2C15D29 -62.5 4.57 -10.36 -0.44 0
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399427 135040213 1 NOSF4C9H9 ABCD4E9F9 -209.7 1.93 -8.92 -0.91 0
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399428 135040216 1 NO5C14H25 AB5C14D25 -272.08 3.24 -9.94 0.51 0
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399429 135040218 3 C5H8 A5B8 -38.34 0.53 -9.03 1.59 0
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399430 135040219 1 N4C13H20 A4B13C20 66.48 2.25 -9.28 -0.06 0
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399431 135040229 1 O2N3C15H15 A2B3C15D15 2.45 3.81 -9.64 -0.1 0
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399432 135040237 1 O2C13H14 A2B13C14 -38.36 2.52 -9.66 -0.08 0
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399433 135040239 1 O2C11H18 A2B11C18 -109.35 2.58 -9.59 0.85 0
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399434 135040269 1 S2O3C13H16 A2B3C13D16 -106.75 0.56 -8.66 -0.09 0
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399435 135040273 1 NO2C8H11 AB2C8D11 -63.65 4.16 -9.84 0.02 0
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399436 135040277 2 NC7H9 AB7C9 35.08 2.86 -8.41 0.19 0
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399437 135040280 1 NO4C12H17 AB4C12D17 -156.08 1.29 -10.42 0.13 0
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399438 135040281 1 NO2C17H23 AB2C17D23 -72.8 3.62 -9.12 0.22 0
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399439 135040285 1 SiO2C14H26 AB2C14D26 -145.66 2.14 -8.5 0.82 0
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399441 135040294 1 NCl2O2C11H11 AB2C2D11E11 -81.46 2.32 -9.8 -0.43 0
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399442 135040309 1 ON2C10H20 AB2C10D20 -51.79 4.09 -8.64 0.44 0
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399443 135040312 1 FNO2H12C15 ABC2D12E15 -42.03 3.68 -8.74 -0.59 0
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399444 135040315 1 N2O3H8C11 A2B3C8D11 -4.27 7.18 -9.73 -1.84 0
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399445 135040317 1 LiN2C17H27 AB2C17D27 23.27 8.73 -6.85 1.28 0
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399446 135040318 1 O2C17H22 A2B17C22 -88.09 2.67 -9.37 0.4 0