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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
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165417 74547904 1 N2O3C23H35 A2B3C23D35 -100.37 2.56 0.0 0.0 1
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165418 74547905 1 BrO2N3C20H25 AB2C3D20E25 -50.35 2.65 0.0 0.0 1
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165419 74547906 1 N2O2C20H29 A2B2C20D29 -48.11 2.97 0.0 0.0 1
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165420 74547907 1 N2O3C19H27 A2B3C19D27 -68.96 2.97 0.0 0.0 1
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165421 74547908 1 N2O3C23H35 A2B3C23D35 -87.53 1.54 0.0 0.0 1
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165422 74547909 1 N2O2C17H23 A2B2C17D23 -50.09 2.57 0.0 0.0 1
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165423 74547910 1 N2O3C19H27 A2B3C19D27 -81.54 3.48 0.0 0.0 1
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165424 74547911 1 N2O3C21H31 A2B3C21D31 -79.98 2.72 0.0 0.0 1
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165425 74547912 1 BrO2N3C19H23 AB2C3D19E23 -43.18 2.1 0.0 0.0 1
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165426 74547929 1 O2N3C22H22 A2B3C22D22 -5.91 3.23 0.0 0.0 1
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165427 74548496 1 FON4C21H30 ABC4D21E30 -6.34 2.18 0.0 0.0 0
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165428 74548497 1 N4O5H16C17 A4B5C16D17 -64.85 13.69 -9.34 -1.1 -1
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165429 74548498 1 N4O5C12H17 A4B5C12D17 -94.0 2.44 0.0 0.0 -1
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165430 74548499 1 FN2O5C22H22 AB2C5D22E22 -137.39 5.23 0.0 0.0 1
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165431 74548500 1 OSN6C20H27 ABC6D20E27 101.82 7.15 0.0 0.0 1
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165432 74548501 1 ON2C16H25 AB2C16D25 18.66 1.54 0.0 0.0 1
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165433 74548502 1 FON6C23H30 ABC6D23E30 59.52 7.42 0.0 0.0 1
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165434 74548503 1 SO4N6C24H31 AB4C6D24E31 -25.89 3.96 0.0 0.0 1
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165435 74548593 1 FSCl2O2N4H22C23 ABC2D2E4F22G23 -57.79 5.19 0.0 0.0 0
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165436 74548594 1 FSCl2O2N4H21C23 ABC2D2E4F21G23 -87.51 1.7 -9.13 -0.97 1
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165437 74548595 1 ClOSN5H13C14 ABCD5E13F14 98.21 5.62 0.0 0.0 1
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165438 74548596 1 SCl2O2N4H17C24 AB2C2D4E17F24 40.84 1.62 0.0 0.0 1
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165439 74549043 1 ON6C22H29 AB6C22D29 114.29 6.2 0.0 0.0 1
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165440 74549162 1 BrON5C16H19 ABC5D16E19 30.42 3.66 0.0 0.0 1
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165441 74549203 1 NOC10H14 ABC10D14 -16.34 3.08 0.0 0.0 -1