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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395016 135024444 1 NCl2O6C18H19 AB2C6D18E19 -224.77 3.18 -9.79 -1.07 0
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395017 135024453 1 ClN8C31H35 AB8C31D35 134.23 6.28 -8.46 -0.72 0
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395018 135024454 1 Cl2O6C11H12 A2B6C11D12 -249.88 2.93 -10.34 -1.48 0
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395019 135024455 1 O3C13H20 A3B13C20 -122.15 2.65 -9.09 -0.6 -2
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395020 135024456 1 NY2C12H17 AB2C12D17 293.49 4.94 -4.8 -0.7 0
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395021 135024457 1 ClINSO2H13C15 ABCDE2F13G15 -13.13 6.64 -9.03 -1.03 0
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395022 135024458 1 NSO2Cl4H9C15 ABC2D4E9F15 -33.44 5.87 -9.51 -1.41 0
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395023 135024459 1 F3H17C26 A3B17C26 -64.78 3.65 -9.01 -0.6 0
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395024 135024460 1 F3H17C26 A3B17C26 -64.15 3.99 -9.26 -0.96 0
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395025 135024461 1 VO5C10H24 AB5C10D24 -315.99 3.63 0.0 0.0 1
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395026 135024463 1 OSN2C18H27 ABC2D18E27 -34.1 4.9 0.0 0.0 0
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395027 135024464 1 OSN2C18H26 ABC2D18E26 -20.57 2.41 -8.24 -0.28 0
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395028 135024465 1 N3O5C22H23 A3B5C22D23 -149.74 7.59 -8.61 -0.79 0
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395029 135024466 1 NO2C17H25 AB2C17D25 -101.57 5.38 -8.6 0.52 0
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395031 135024476 1 SN2C4H4 AB2C4D4 80.02 1.71 -9.75 -0.66 0
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395032 135024482 1 OC12H22 AB12C22 -69.56 1.63 -9.39 0.79 0
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395033 135024484 1 SiO3C19H32 AB3C19D32 -171.77 2.53 -9.26 0.17 0
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395034 135024486 1 O4C11H22 A4B11C22 -84.92 2.98 -9.99 -0.04 -1
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395036 135024491 1 PN2O9C22H37 AB2C9D22E37 -459.25 3.83 -8.81 0.43 0
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395037 135024493 1 FO5N6C12H13 AB5C6D12E13 -94.39 6.37 -10.04 -1.04 0
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395038 135024495 1 F2O6N9C17H17 A2B6C9D17E17 -133.33 7.37 -9.94 -1.04 0
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395039 135024496 1 OH36C41 AB36C41 116.21 1.73 -8.63 -0.24 0
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395040 135024497 2 H9C10 A9B10 113.58 0.89 -7.86 -0.66 0
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395041 135024503 1 O3N4C19H24 A3B4C19D24 -113.87 4.33 -8.77 -0.29 0
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395042 135024504 1 ClO3N4C26H27 AB3C4D26E27 -85.34 4.32 -8.76 -0.41 0
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395046 135024515 1 LiNO2C13H14 ABC2D13E14 88.08 28.64 -5.01 -1.14 1
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395048 135024518 1 N2O3C16H30 A2B3C16D30 -175.42 4.56 -9.45 0.46 0
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395049 135024519 1 NC11H19 AB11C19 6.46 3.7 -10.66 2.46 0
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395050 135024521 1 O3S3N5H17C19 A3B3C5D17E19 22.72 8.97 -8.37 -1.04 0
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395051 135024522 1 NSO2F3C12H12 ABC2D3E12F12 -219.78 3.99 -9.64 -1.19 0
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395052 135024524 2 NOH19C26 ABC19D26 143.78 3.15 -8.43 -0.83 0
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395053 135024525 1 Br2O3C14H20 A2B3C14D20 -128.97 4.48 -10.39 -1.33 0
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395054 135024526 1 S2O3N4H16C17 A2B3C4D16E17 -35.14 11.06 -8.84 -1.16 0
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395055 135024527 1 O5C16H22 A5B16C22 -186.75 1.71 -9.45 -0.26 2
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395057 135024530 1 VO7C10H28 AB7C10D28 -460.23 5.69 0.0 0.0 0
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395058 135024531 2 BrO2H5C8 AB2C5D8 -76.93 2.65 -9.59 -1.74 0
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395059 135024532 1 SiO4C31H40 AB4C31D40 -115.85 5.2 -8.85 0.26 0
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395060 135024535 1 SN2O6C28H34 AB2C6D28E34 -125.06 8.51 -9.65 -1.66 0
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395061 135024551 1 ClSiN2O7C23H31 ABC2D7E23F31 -350.4 7.03 -9.17 -1.22 0
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395062 135024552 1 ClIO2H10C11 ABC2D10E11 -62.57 5.16 -9.57 -1.25 0
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395063 135024555 1 N2O8C35H48 A2B8C35D48 -273.33 4.49 -8.85 -0.51 0
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395064 135024556 1 N2O6C9H10 A2B6C9D10 -139.5 2.12 -10.6 -1.82 0
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395065 135024557 1 SiO5C15H30 AB5C15D30 -285.45 1.47 -8.8 -0.65 0
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395066 135024558 1 O5C8H14 A5B8C14 -208.54 1.82 -10.18 -0.73 0
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395067 135024559 1 SN3C17H19 AB3C17D19 92.35 2.78 -8.1 -0.21 1
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395068 135024561 1 ON2H17C19 AB2C17D19 84.12 3.49 0.0 0.0 0
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395069 135024563 1 NO4C16H25 AB4C16D25 -182.66 2.47 -9.32 0.04 0
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395070 135024574 1 ClLiNOC7H11 ABCDE7F11 -81.92 6.21 -7.26 1.52 0
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395071 135024581 2 NO2C13H15 AB2C13D15 -88.42 1.99 -9.55 0.02 0
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395072 135024583 1 SC10H10 AB10C10 35.58 1.87 -8.64 0.06 0