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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398009 135031347 1 NSO10C21H23 ABC10D21E23 -365.13 4.54 -9.48 -0.9 0
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398010 135031348 1 NSO12C18H23 ABC12D18E23 -485.96 2.51 -9.59 -0.98 0
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398011 135031352 1 ON3C19H21 AB3C19D21 32.29 4.07 -8.74 0.07 0
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398012 135031354 4 OC5H5 AB5C5 -101.66 4.72 -8.39 -0.5 0
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398013 135031355 1 OSN2H22C24 ABC2D22E24 70.85 6.14 -8.1 -0.2 0
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398014 135031362 1 O3C13H16 A3B13C16 -123.69 6.64 -9.5 0.24 0
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398015 135031370 1 ON2F4H8C10 AB2C4D8E10 -165.98 0.06 -10.38 -1.63 0
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398016 135031375 1 OS2F10H12C14 AB2C10D12E14 -490.42 6.88 -10.05 -1.36 0
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398017 135031379 1 BrOSF5H12C14 ABCD5E12F14 -246.4 5.91 -9.69 -0.98 0
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398018 135031387 1 OSCl2F5H11C14 ABC2D5E11F14 -267.02 3.93 -9.99 -0.88 0
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398019 135031388 1 OSF5C15H15 ABC5D15E15 -257.34 7.75 -9.95 -0.7 0
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398020 135031393 1 Na2H3I3Cl4O5C20 A2B3C3D4E5F20 -212.64 8.68 -8.9 -1.94 0
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398021 135031395 1 NO5C25H35 AB5C25D35 -233.11 3.01 -10.13 -1.4 0
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398022 135031398 1 NPO9C22H30 ABC9D22E30 -429.92 2.93 -10.27 -1.39 0
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398023 135031402 1 FNOC13H16 ABCD13E16 -55.28 2.52 -8.96 -0.19 0
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398024 135031403 1 O2S13C39H42 A2B13C39D42 -69.92 2.0 -7.89 -0.86 0
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398025 135031409 1 O3N5H21C25 A3B5C21D25 88.81 1.78 -8.41 -1.18 0
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398026 135031411 1 BrN2O3H17C24 AB2C3D17E24 -17.71 4.87 -8.92 -1.31 0
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398027 135031439 3 NO2H11C13 AB2C11D13 -41.15 5.67 -8.71 -0.56 0
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398028 135031444 1 SiC14H24 AB14C24 -36.45 0.6 -8.78 1.05 0
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398029 135031446 1 NOC22H23 ABC22D23 21.23 4.1 -8.38 0.0 0
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398030 135031447 3 OC5H6 AB5C6 -85.04 2.22 -9.78 -0.15 0
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398031 135031448 1 NO3C16H21 AB3C16D21 -82.57 4.38 -8.92 0.07 0
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398032 135031449 1 NO3C16H21 AB3C16D21 -79.95 4.06 -8.48 -0.05 0
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398033 135031450 1 NO5C18H23 AB5C18D23 -160.5 4.69 -9.17 -0.07 0
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398034 135031451 1 NO5C18H23 AB5C18D23 -162.33 3.1 -9.06 -0.06 0
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398035 135031454 1 SiO2C14H28 AB2C14D28 -153.06 2.88 -8.8 0.58 0
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398036 135031455 1 NSO3C11H15 ABC3D11E15 -88.71 6.6 -9.27 -0.6 0
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398037 135031456 1 NS2O9C21H31 AB2C9D21E31 -366.93 5.0 -9.55 -0.16 0
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398038 135031458 1 NSO4H17C18 ABC4D17E18 -83.26 3.86 -8.77 -1.28 1
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398039 135031460 1 ClNC12H15 ABC12D15 16.63 1.84 0.0 0.0 0
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398040 135031461 1 NO4H13C16 AB4C13D16 -92.36 4.31 -9.2 -1.51 0
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398041 135031462 1 NO4H21C23 AB4C21D23 -88.58 2.76 -8.81 -0.36 0
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398042 135031464 1 SN2O5C15H20 AB2C5D15E20 -183.87 4.32 -9.5 -0.59 1
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398043 135031465 1 BKF3H4C6 ABC3D4E6 -260.09 10.21 0.0 0.0 0
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398044 135031466 1 BF3H4C6 AB3C4D6 -145.69 12.92 -10.91 -3.59 0
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398045 135031472 1 BrO2F3N3H15C18 AB2C3D3E15F18 -136.6 2.17 -9.56 -1.76 0
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398046 135031473 1 BrF2N4O4H21C27 AB2C4D4E21F27 -162.67 7.32 -9.31 -1.6 0
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398047 135031477 1 SCl2O3N4C21H24 AB2C3D4E21F24 -69.2 7.82 -9.53 -1.44 0
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398048 135031501 1 O2H12C15 A2B12C15 -8.67 2.87 -8.42 -0.46 0
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398049 135031525 1 OSCl2N3H13C17 ABC2D3E13F17 43.04 1.13 -8.97 -0.83 0
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398050 135031527 1 ClSO2N3H16C18 ABC2D3E16F18 12.97 6.61 -8.72 -0.88 0
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398051 135031528 1 OSCl2N4H12C16 ABC2D4E12F16 57.84 1.99 -8.98 -0.92 0
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398052 135031530 1 OSCl2N4H12C16 ABC2D4E12F16 62.24 3.36 -9.0 -1.3 0
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398053 135031532 1 ClN3H10C16 AB3C10D16 106.94 3.1 -8.53 -1.18 0
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398054 135031534 1 SF3N3H12C18 AB3C3D12E18 -56.36 4.26 -8.54 -1.23 0
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398055 135031561 1 NO3C19H25 AB3C19D25 -115.73 3.31 -9.92 -0.46 0
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398056 135031564 1 ClON2F13H14C24 ABC2D13E14F24 -608.51 5.8 -9.75 -0.92 0
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398057 135031566 2 OC9H9 AB9C9 -28.12 0.78 -8.91 -0.15 0
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398058 135031571 1 FO2H17C18 AB2C17D18 -85.43 1.24 -9.09 -0.9 0
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398059 135031583 2 OC5H8 AB5C8 -102.27 6.37 -10.34 0.1 0
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398060 135031586 1 OH22C24 AB22C24 37.64 3.77 -8.93 -0.48 0
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398061 135031588 2 ClNSC8H10 ABCD8E10 5.61 2.13 -8.65 -1.45 0
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398062 135031589 1 OC13H22 AB13C22 -62.04 4.03 -9.74 0.49 0
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398063 135031595 1 O4C19H28 A4B19C28 -164.34 2.71 -8.31 0.24 0
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398065 135031606 1 N2O5C21H30 A2B5C21D30 -219.42 5.2 -9.31 -0.29 0
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398066 135031612 1 O2N3C17H19 A2B3C17D19 34.02 5.04 -9.37 0.12 0
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398067 135031619 2 NOH8C9 ABC8D9 39.92 3.91 -8.46 -0.86 -2
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398069 135031621 1 N2O2H22C25 A2B2C22D25 58.4 1.7 -8.46 -0.57 0
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398070 135031622 1 N2O4C17H18 A2B4C17D18 -137.02 1.89 -8.58 -0.29 0
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398071 135031623 1 NO4C16H17 AB4C16D17 -115.78 2.89 -8.58 -0.19 0
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398072 135031624 1 NSiO5C23H35 ABC5D23E35 -259.58 2.0 -8.62 -0.21 0
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398073 135031628 1 FO3C19H19 AB3C19D19 -109.16 2.94 -8.63 -0.47 0
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398074 135031629 1 O3H18C19 A3B18C19 -64.54 2.72 -8.58 -0.85 0
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398075 135031630 2 FOH8C9 ABC8D9 -121.98 2.23 -9.34 -0.61 0
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398076 135031631 1 FO2H15C18 AB2C15D18 -78.42 1.67 -9.21 -0.93 0
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398077 135031632 1 FO3C19H19 AB3C19D19 -113.74 2.97 -9.06 -0.26 0
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398078 135031633 1 FO3C19H19 AB3C19D19 -110.97 3.01 -8.59 -0.26 0
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398079 135031636 1 NO2C14H15 AB2C14D15 36.83 3.15 -10.66 0.14 0
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398080 135031640 1 NO2C8H13 AB2C8D13 -83.39 2.58 -9.48 0.5 0
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398081 135031643 1 NSiO2C19H33 ABC2D19E33 -160.41 3.26 -8.74 0.35 0
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398082 135031655 1 O3N4C14H16 A3B4C14D16 -4.12 10.82 -9.34 -0.46 0
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398083 135031661 1 C17H28 A17B28 -5.6 0.9 -8.94 1.25 0
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398084 135031667 2 OC10H12 AB10C12 -52.19 1.67 -9.17 0.32 0
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398085 135031682 2 O2C11H16 A2B11C16 -207.06 1.26 -8.68 0.63 0