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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403363 135059867 1 O3F4C6H6 A3B4C6D6 -313.26 1.78 -11.16 -1.26 0
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403364 135059868 1 NSiC15H17 ABC15D17 37.9 3.28 -9.3 0.07 0
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403365 135059871 1 NOC9H11 ABC9D11 17.83 3.04 -8.6 -0.27 0
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403366 135059872 1 LiNOC9H10 ABCD9E10 -8.04 5.22 -7.71 0.39 0
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403367 135059879 1 IN2O2H13C15 AB2C2D13E15 -17.23 2.74 -8.92 -1.25 0
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403368 135059887 1 N2O5C26H28 A2B5C26D28 -121.71 7.18 -8.55 -0.76 0
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403369 135059889 1 N3C16H19 A3B16C19 33.43 3.12 -8.18 -0.16 0
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403370 135059896 2 NOC11H14 ABC11D14 -78.97 0.57 -8.73 -0.71 0
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403371 135059900 1 ON3H11C13 AB3C11D13 15.05 4.7 -8.36 -0.64 0
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403372 135059902 1 NSO2C15H17 ABC2D15E17 -52.94 1.7 -8.62 -0.17 0
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403373 135059907 1 ClIN2O2H20C27 ABC2D2E20F27 24.92 2.28 -8.86 -1.04 0
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403374 135059916 2 NO2C12H12 AB2C12D12 -86.46 3.67 -8.21 -0.89 0
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403375 135059919 1 ClON2H13C19 ABC2D13E19 54.27 3.47 -8.84 -1.37 1
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403376 135059923 1 N2O2S2C12H13 A2B2C2D12E13 40.35 7.86 0.0 0.0 0
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403377 135059926 1 FC7H11 AB7C11 -56.68 2.14 -9.63 1.08 0
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403378 135059927 1 ClNOC10H14 ABCD10E14 -41.79 3.93 -9.02 0.04 0
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403379 135059938 1 ON2C13H14 AB2C13D14 5.78 4.24 -8.9 -0.46 0
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403380 135059941 1 SeC10H19 AB10C19 -12.14 1.91 0.0 0.0 0
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403381 135059948 1 N3C31H31 A3B31C31 94.36 2.3 -8.0 -0.4 0
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403382 135059953 1 N3O3H25C31 A3B3C25D31 18.07 5.7 -8.36 -0.97 0
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403383 135059954 1 SN3O4H13C18 AB3C4D13E18 12.73 12.1 -9.26 -1.32 0
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403384 135059958 1 ON2H20C26 AB2C20D26 82.15 3.12 -8.38 -0.78 0
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403385 135059959 1 N2O3H20C21 A2B3C20D21 21.29 7.46 -9.36 -1.17 0
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403386 135059963 1 ClFIN2O4H23C29 ABCD2E4F23G29 -107.39 2.68 -8.52 -1.07 0
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403387 135059967 1 ON2H14C21 AB2C14D21 61.6 4.15 -8.02 -1.03 0
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403388 135059973 1 ClN2O2H13C19 AB2C2D13E19 -7.33 5.89 -9.12 -1.26 0
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403389 135060008 1 SN2O2C17H18 AB2C2D17E18 -31.86 1.42 -8.48 -0.97 0
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403390 135060010 1 FN2O2H19C25 AB2C2D19E25 -12.38 1.93 -8.3 -0.78 0
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403391 135060011 1 ON2H18C25 AB2C18D25 83.82 3.8 -8.57 -0.85 0
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403392 135060033 1 NO2S2C17H19 AB2C2D17E19 -27.33 5.63 -8.59 -0.58 0
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403393 135060034 2 OC4H7 AB4C7 -81.93 2.19 -9.87 0.48 0
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403394 135060037 2 OC7H8 AB7C8 -68.19 5.16 -9.65 -0.03 0
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403395 135060041 1 O3C14H28 A3B14C28 -125.71 2.95 -8.97 0.42 0
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403396 135060046 1 NOC14H21 ABC14D21 -40.72 2.73 -7.97 0.53 0
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403397 135060048 1 Cl2O3C8H10 A2B3C8D10 -130.85 5.55 -10.29 -0.73 0
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403398 135060052 1 AlLiOC11H26 ABCD11E26 -90.49 13.03 -8.02 1.7 0
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403399 135060054 1 SO2N3H17C25 AB2C3D17E25 59.76 6.42 -8.25 -1.02 0
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403400 135060068 1 ON2H16C20 AB2C16D20 50.2 3.98 -8.57 -0.68 0
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403401 135060069 1 N2O2C17H18 A2B2C17D18 -51.64 2.55 -8.85 -0.57 0
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403402 135060074 1 S2O4C17H24 A2B4C17D24 -171.11 2.52 -9.19 -0.3 0
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403403 135060086 1 Cl2N2C9H12 A2B2C9D12 4.87 4.02 -10.36 -1.0 0
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403404 135060089 1 NOSe2C12H13 ABC2D12E13 3.96 4.57 -8.09 -1.36 0
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403405 135060108 1 N2O3C19H24 A2B3C19D24 -69.2 2.99 -8.85 -0.37 0
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403406 135060111 1 N2O2C17H18 A2B2C17D18 -26.71 0.99 -8.28 -0.56 0
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403407 135060113 1 FN2H11C17 AB2C11D17 46.51 2.6 -8.55 -0.74 0
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403408 135060117 1 N2O2C19H20 A2B2C19D20 -31.71 3.46 -8.72 -0.61 0
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403409 135060120 1 SN2H16C19 AB2C16D19 89.05 2.21 -8.43 -0.72 0
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403410 135060126 1 N3O4H13C19 A3B4C13D19 -0.45 5.42 -9.11 -1.23 0
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403411 135060127 1 N2O3H12C17 A2B3C12D17 -25.24 3.63 -8.87 -1.26 0
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403412 135060133 1 N2O2H10C13 A2B2C10D13 -17.91 2.22 -8.81 -1.12 0
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403413 135060134 1 ON3H15C25 AB3C15D25 111.82 4.66 -9.11 -1.4 0
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403414 135060141 1 O3C8H16 A3B8C16 -96.37 1.43 -9.85 0.23 0
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403415 135060167 1 N2O3H18C20 A2B3C18D20 -36.71 5.26 -8.31 -0.82 0
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403416 135060171 1 BrFSN2O2H12C18 ABCD2E2F12G18 -49.11 6.95 -9.13 -1.11 0
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403417 135060179 1 SN2O4H20C26 AB2C4D20E26 -48.13 4.57 -8.97 -0.96 0
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403418 135060189 1 ON2H14C18 AB2C14D18 31.54 2.08 -8.42 -0.86 0
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403419 135060194 1 ClIN2F3O4H23C30 ABC2D3E4F23G30 -222.46 3.51 -8.66 -1.15 0
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403420 135060195 1 N2O3H18C20 A2B3C18D20 37.88 7.24 -9.78 -1.35 0
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403421 135060196 1 SN2H14C18 AB2C14D18 93.05 2.36 -8.5 -0.74 0
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403422 135060197 1 N3H11C18 A3B11C18 125.32 5.72 -8.77 -1.03 0
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403423 135060204 2 NOC7H7 ABC7D7 -27.28 5.83 -8.7 -0.73 0
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403424 135060205 2 NF3H12C13 AB3C12D13 -271.93 7.62 -8.68 -0.45 0
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403425 135060206 1 ON3C22H25 AB3C22D25 -6.36 5.6 -8.17 -0.32 0
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403426 135060210 1 S2O3C11H16 A2B3C11D16 -114.36 5.31 -9.34 -0.44 0
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403427 135060211 1 NOSeC7H14 ABCD7E14 -14.93 2.84 0.0 0.0 0
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403428 135060215 1 NO4C12H23 AB4C12D23 -225.07 3.2 -9.75 0.18 0
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403429 135060221 1 NO4C9H19 AB4C9D19 -124.03 4.73 -10.39 -0.44 0
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403430 135060246 1 S2O3N4H22C25 A2B3C4D22E25 11.81 8.96 -8.71 -1.01 0
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403431 135060249 1 ClON3H18C21 ABC3D18E21 45.65 4.7 -8.98 -1.05 0
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403432 135060261 1 BrN2H19C25 AB2C19D25 105.22 6.66 -8.28 -0.6 0
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403433 135060277 1 O3C13H20 A3B13C20 -128.89 1.97 -9.44 0.3 0
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403434 135060308 1 N2O2H14C15 A2B2C14D15 -36.53 1.33 -8.77 -0.63 0
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403435 135060310 1 N2O2H16C19 A2B2C16D19 12.31 2.43 -8.44 -0.57 0
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403436 135060314 1 N4O6H12C21 A4B6C12D21 -57.96 10.72 -8.87 -1.71 0
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403437 135060315 1 ClN2O2H21C27 AB2C2D21E27 11.68 6.51 -8.53 -1.39 0
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403438 135060316 1 FN2H25C28 AB2C25D28 28.88 4.33 -8.48 -0.72 0
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403439 135060317 1 NSO2H19C21 ABC2D19E21 -17.48 3.04 -8.59 -0.53 0
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403440 135060318 1 SN2H18C21 AB2C18D21 79.55 2.33 -8.21 -0.64 0
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403441 135060319 2 NOC8H8 ABC8D8 -25.56 5.68 -8.16 -0.92 0
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403442 135060320 1 ON2C16H16 AB2C16D16 4.48 4.43 -8.35 -0.84 0
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403443 135060321 1 FON2H13C15 ABC2D13E15 -33.65 3.53 -8.65 -1.11 0
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403444 135060323 2 NC6H6 AB6C6 52.4 1.45 -7.97 -0.17 0
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403445 135060324 1 BrIN2O2H22C28 ABC2D2E22F28 34.28 1.58 -9.13 -1.17 0
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403446 135060325 1 IN2O5C35H41 AB2C5D35E41 -147.95 2.58 -8.36 -0.9 0
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403447 135060326 1 IN2O3C30H31 AB2C3D30E31 -46.45 3.14 -8.85 -0.93 0
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403448 135060328 2 NO2H9C10 AB2C9D10 -1.99 3.99 -9.01 -1.77 0
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403449 135060329 1 N2F3H13C19 A2B3C13D19 -86.78 2.96 -8.84 -0.87 0
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403450 135060330 1 N2H16C19 A2B16C19 66.44 0.99 -8.6 -0.35 0
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403451 135060331 1 N2S2H14C17 A2B2C14D17 93.04 1.42 -8.4 -0.77 0
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403452 135060333 2 NOH8C10 ABC8D10 -2.14 1.04 -8.79 -1.08 0
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403453 135060334 1 N2O3C17H20 A2B3C17D20 -50.93 2.81 -8.61 -0.51 0
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403454 135060336 1 IN2O5H37C41 AB2C5D37E41 -59.62 3.82 -8.28 -0.88 0
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403455 135060337 1 IN2O3H29C33 AB2C3D29E33 -0.91 3.28 -8.87 -0.95 0
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403456 135060338 1 IN2O4H35C40 AB2C4D35E40 -18.89 3.16 -8.2 -0.91 0
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403457 135060339 1 IN2O2H27C32 AB2C2D27E32 37.15 2.51 -8.98 -0.97 0
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403458 135060341 1 IN2O2H31C36 AB2C2D31E36 42.59 2.58 -8.98 -0.96 0
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403459 135060342 1 IN2O5H35C42 AB2C5D35E42 -38.88 2.24 -8.35 -0.99 0
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403460 135060343 1 ClIN2O4H26C30 ABC2D4E26F30 -69.52 5.43 -8.36 -1.02 1
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403461 135060405 1 FNS2C13H15 ABC2D13E15 -8.16 5.27 0.0 0.0 0
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403462 135060431 1 ClN3H14C18 AB3C14D18 75.2 2.5 -8.37 -0.42 0