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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403009 135058295 1 ClS2O3N4H23C30 AB2C3D4E23F30 63.25 5.04 -8.41 -1.11 0
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403010 135058301 1 N2O2C15H18 A2B2C15D18 9.62 3.88 -9.45 -1.7 0
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403011 135058303 1 BrNO2H10C12 ABC2D10E12 -36.69 1.64 -10.32 -0.86 0
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403012 135058304 1 BrNSO2C21H34 ABCD2E21F34 -122.88 6.77 -9.13 -0.2 0
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403013 135058324 1 BrO8H23C24 AB8C23D24 -249.5 4.99 -8.99 -1.01 0
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403014 135058330 1 NO2C19H27 AB2C19D27 -97.37 4.8 -8.56 -0.2 0
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403015 135058335 1 N2O2F3C11H11 A2B2C3D11E11 -175.27 4.42 -9.35 -0.77 0
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403016 135058336 1 SN2O5H14C16 AB2C5D14E16 -82.39 5.36 -9.41 -1.98 0
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403017 135058340 1 BNO3C21H30 ABC3D21E30 -185.48 1.93 -8.93 -0.44 0
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403018 135058352 1 NO2C20H29 AB2C20D29 -101.47 1.85 -8.18 0.19 0
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403019 135058353 1 NO2C20H21 AB2C20D21 -46.09 4.04 -8.25 -0.26 0
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403020 135058354 1 ClNSF3O4H13C16 ABCD3E4F13G16 -259.67 5.72 -9.36 -1.12 0
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403021 135058355 1 NSF4O5H15C17 ABC4D5E15F17 -340.85 5.68 -9.4 -0.99 0
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403022 135058358 1 NSO3H19C24 ABC3D19E24 -16.92 2.36 -9.21 -1.03 0
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403023 135058359 1 ClNSiC12H15 ABCD12E15 26.68 4.91 0.0 0.0 0
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403024 135058360 1 NOC15H25 ABC15D25 -71.93 3.73 -9.29 1.31 0
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403025 135058378 1 NO3H17C20 AB3C17D20 -50.84 3.83 -8.33 -0.31 0
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403026 135058399 1 NH2Br3O3C6 AB2C3D3E6 0.88 0.66 -10.87 -2.78 0
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403028 135058410 1 ClNO4C16H20 ABC4D16E20 -163.33 5.37 -8.6 -0.91 0
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403029 135058416 1 FNOH16C17 ABCD16E17 -56.24 3.82 -8.98 -0.54 0
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403030 135058420 1 NOC25H33 ABC25D33 -19.61 2.97 -8.22 0.08 0
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403031 135058421 1 SN2C22H30 AB2C22D30 19.33 1.37 -8.77 -0.63 0
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403032 135058425 1 NOH21C22 ABC21D22 48.53 2.23 -8.75 -0.11 0
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403033 135058438 1 NOH13C16 ABC13D16 43.14 2.29 -9.02 -0.73 1
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403034 135058456 1 NOC20H26 ABC20D26 -19.3 3.31 0.0 0.0 0
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403035 135058462 1 BrNO2C13H14 ABC2D13E14 -58.24 6.75 -8.97 -0.62 0
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403036 135058478 1 BN2O2C15H21 AB2C2D15E21 -120.51 8.48 -8.31 -0.14 0
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403037 135058484 1 NSF3O3H10C11 ABC3D3E10F11 -245.12 6.3 -9.31 -1.29 0
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403038 135058486 1 NO2H15C17 AB2C15D17 3.88 5.08 -8.67 -0.82 0
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403039 135058488 1 NO3H15C17 AB3C15D17 -25.71 4.99 -8.45 -0.94 0
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403040 135058491 1 FNOC14H16 ABCD14E16 -79.88 3.79 -9.41 -0.62 0
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403041 135058494 1 ClNF2O3H18C19 ABC2D3E18F19 -212.74 3.29 -9.45 -1.11 0
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403042 135058497 1 NO5C14H15 AB5C14D15 -99.81 3.94 -9.86 -0.94 0
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403043 135058498 1 NF3O4H12C13 AB3C4D12E13 -220.79 6.94 -9.78 -0.94 0
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403044 135058507 1 NO4C15H15 AB4C15D15 -107.21 3.99 -9.22 -0.38 0
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403045 135058508 2 NOH8C9 ABC8D9 56.37 10.0 -8.91 -1.13 0
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403046 135058516 1 IS2O3H13C14 AB2C3D13E14 -37.9 6.09 -8.72 -1.23 0
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403047 135058517 1 N3H19C23 A3B19C23 145.34 4.93 -8.98 -0.26 0
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403048 135058518 1 ClN2O2H9C14 AB2C2D9E14 10.07 7.33 -8.65 -1.83 0
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403049 135058523 1 N5H13C18 A5B13C18 157.46 6.44 -9.69 -1.36 0
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403050 135058526 1 ClON3H10C15 ABC3D10E15 73.86 1.62 -9.46 -1.06 -4
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403052 135058536 1 FSP3N7O19C26H41 ABC3D7E19F26G41 -1049.57 6.27 -9.35 -0.89 0
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403053 135058537 1 SP3N7O18C30H42 AB3C7D18E30F42 -884.11 7.52 -9.25 -1.08 0
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403054 135058538 1 ClOSiC13H17 ABCD13E17 -41.6 2.44 -9.54 -0.52 0
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403055 135058540 1 BN2C32H33 AB2C32D33 43.96 5.9 -8.21 -0.56 0
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403056 135058546 1 NO3H21C24 AB3C21D24 -44.36 4.44 -8.48 -0.47 0
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403057 135058553 1 NO5H9C11 AB5C9D11 -19.19 3.84 -10.3 -1.74 0
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403058 135058559 1 PO3C15H19 AB3C15D19 -119.31 4.4 -9.04 -0.12 0
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403059 135058561 2 BrOH6C7 ABC6D7 11.8 8.81 -10.1 -1.06 0
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403060 135058562 2 OC11H15 AB11C15 -42.73 6.71 -9.89 -0.51 0