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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165392 74545406 1 O2N7C13H24 A2B7C13D24 -15.68 5.17 0.0 0.0 0
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165393 74545407 1 O2N7C13H23 A2B7C13D23 -37.81 5.18 -8.6 -0.27 1
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165394 74545408 1 N2O4C21H21 A2B4C21D21 -84.32 4.25 0.0 0.0 0
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165395 74545409 1 ClNO4C15H16 ABC4D15E16 -125.65 5.41 -9.02 -0.87 0
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165396 74545410 1 SN2O2C16H16 AB2C2D16E16 -39.11 8.21 -8.58 -1.1 0
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165397 74545423 1 SN4O4C9H18 AB4C4D9E18 -129.55 3.04 -9.1 -0.16 0
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165398 74545570 1 N5O5C25H29 A5B5C25D29 -116.14 5.27 -8.95 -0.7 -1
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165399 74545597 1 N2O6H23C27 A2B6C23D27 -125.99 7.59 0.0 0.0 -1
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165400 74545598 1 NBr2O2S2C14H16 AB2C2D2E14F16 -8.06 15.35 0.0 0.0 -1
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165401 74545636 1 N3O5H16C20 A3B5C16D20 -9.97 5.47 0.0 0.0 0
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165402 74545774 1 S2N3O4C20H21 A2B3C4D20E21 -83.37 4.33 -8.88 -1.57 0
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165403 74546139 1 F2N2O3C16H22 A2B2C3D16E22 -210.19 3.61 -9.07 -0.38 0
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165404 74546140 1 O2N5C20H29 A2B5C20D29 -27.4 6.2 -8.18 0.3 0
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165405 74546695 1 ClSO2N4C13H17 ABC2D4E13F17 -83.94 4.91 -8.44 -0.37 0
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165406 74546696 1 NO2C14H21 AB2C14D21 -46.75 3.34 -8.65 -0.16 0
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165407 74546697 1 ON2C16H22 AB2C16D22 -0.41 5.39 -9.3 -1.51 1
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165408 74546734 1 ON7C23H40 AB7C23D40 18.06 8.51 0.0 0.0 1
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165409 74546792 1 ON2C7H17 AB2C7D17 -21.58 3.01 0.0 0.0 0
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165410 74546873 1 SO3N7C18H29 AB3C7D18E29 -101.93 4.96 -9.2 -0.58 -1
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165411 74546954 1 NO3H10C16 AB3C10D16 37.24 2.53 0.0 0.0 -2
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165412 74547227 2 H2C3O3 A2B3C3 -157.77 5.16 -10.93 -0.83 1
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165413 74547228 1 O2N4C27H37 A2B4C27D37 -28.17 3.97 0.0 0.0 -1
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165414 74547229 1 O4N6C10H11 A4B6C10D11 53.17 5.99 0.0 0.0 0
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165415 74547238 1 SN3O4C6H7 AB3C4D6E7 -119.41 4.7 -10.29 -2.18 1
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165416 74547559 1 N2O2C19H29 A2B2C19D29 -61.76 3.28 0.0 0.0 1