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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175038 75849008 1 SO3N4C21H31 AB3C4D21E31 -78.55 23.54 0.0 0.0 1
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175039 75849009 1 SO4N5C22H32 AB4C5D22E32 -146.1 4.43 0.0 0.0 0
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175040 75849032 1 SF3O3N4C18H19 AB3C3D4E18F19 -199.33 3.42 -9.27 -1.29 0
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175041 75849248 1 SO4N5C21H23 AB4C5D21E23 -62.75 7.4 -9.43 -1.22 0
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175042 75849929 2 O2N3C12H21 A2B3C12D21 -235.58 0.41 -9.13 0.16 1
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175043 75849934 1 N3O4C19H20 A3B4C19D20 -83.84 10.69 0.0 0.0 0
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175044 75849941 1 NSO3C21H29 ABC3D21E29 -107.56 5.04 -9.0 -0.12 0
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175045 75849942 1 F2N2O2C19H22 A2B2C2D19E22 -151.63 1.78 -8.69 -0.34 0
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175046 75849943 1 SO2N4C16H22 AB2C4D16E22 -35.8 5.94 -10.05 -1.55 0
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175047 75849944 1 NSO3C20H25 ABC3D20E25 -85.5 5.09 -9.01 -0.1 0
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175048 75849945 1 FNOS2C16H22 ABCD2E16F22 -98.87 4.01 -8.56 -0.4 0
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175049 75849946 1 N3O3C17H27 A3B3C17D27 -102.18 4.06 -8.78 -0.16 0
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175050 75849947 1 OSN3C17H27 ABC3D17E27 -32.8 4.6 -8.77 -0.16 0
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175051 75849948 1 NO5C21H35 AB5C21D35 -222.87 5.71 -8.1 0.39 0
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175052 75849949 1 FNSO3C16H22 ABCD3E16F22 -169.5 3.13 -8.6 -0.48 0
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175053 75849950 1 FNO4C20H24 ABC4D20E24 -175.87 5.13 -9.01 -0.42 0
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175054 75849951 1 O3N4C21H26 A3B4C21D26 -104.35 2.94 -9.34 -0.48 0
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175055 75849952 1 NF2O4C21H25 AB2C4D21E25 -245.17 5.57 -9.02 -0.41 0
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175056 75849953 1 N2O3C18H28 A2B3C18D28 -118.06 2.56 -8.15 0.5 0
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175057 75850005 1 FO2S2N3C23H24 AB2C2D3E23F24 -81.16 7.03 -8.39 -0.94 0
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175058 75850142 1 NF4O4H11C15 AB4C4D11E15 -290.26 4.65 -9.82 -1.43 0
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175059 75850143 1 NO3C18H21 AB3C18D21 -60.37 3.96 -9.19 -1.27 0
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175060 75850144 1 Cl2O3N4H16C22 A2B3C4D16E22 11.33 4.63 -8.39 -1.31 0
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175061 75850261 1 FSO2N3H22C25 ABC2D3E22F25 -33.57 2.18 -8.9 -0.88 0
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175062 75850319 1 Cl2N4O4H16C19 A2B4C4D16E19 -53.32 1.85 -9.26 -1.73 0
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175063 75850360 1 N2O3C18H22 A2B3C18D22 -104.32 1.8 -9.19 -0.28 0
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175064 75850701 5 OC3H4 AB3C4 -175.64 1.06 -8.6 -0.36 0
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175065 75850957 1 NO4C15H15 AB4C15D15 -112.83 4.38 -10.2 -1.42 0
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175066 75850958 1 NSO6C22H23 ABC6D22E23 -175.55 7.17 -8.86 -1.02 0
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175067 75850959 1 NO4C20H21 AB4C20D21 -123.72 6.1 -8.92 -0.85 0
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175068 75850960 1 SCl2N2O3C16H18 AB2C2D3E16F18 -109.47 4.34 -8.73 -1.12 0
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175069 75850961 1 NO4C18H23 AB4C18D23 -122.6 5.9 -8.51 -0.92 0
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175070 75850962 1 OSN6C13H22 ABC6D13E22 -21.94 7.42 -8.54 -0.2 0
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175071 75850963 1 NO4C19H25 AB4C19D25 -129.43 4.83 -8.56 -0.95 0
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175072 75851086 1 N2O5C25H28 A2B5C25D28 -111.32 3.2 -8.32 -0.97 0
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175073 75851181 1 Cl2N2O2H16C17 A2B2C2D16E17 -15.16 3.64 -9.39 -0.75 1
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175074 75851902 1 ClO3N6C21H22 AB3C6D21E22 40.88 5.32 0.0 0.0 1
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175075 75851903 1 ClO3N6C22H24 AB3C6D22E24 40.54 7.02 0.0 0.0 1
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175076 75851904 1 ClO3N6C22H24 AB3C6D22E24 39.83 8.45 0.0 0.0 0
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175077 75852173 1 ON2C24H30 AB2C24D30 -10.04 4.65 -9.03 -0.24 1
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175078 75852482 1 N3O3C23H38 A3B3C23D38 -115.17 3.96 0.0 0.0 0
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175079 75852483 1 N3O3C23H37 A3B3C23D37 -137.69 4.25 -8.72 0.35 0
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175080 75852760 1 O4N5C20H33 A4B5C20D33 -178.36 8.1 -9.34 -0.22 0
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175081 75852770 1 O2N5C21H29 A2B5C21D29 -22.43 5.81 -9.01 -0.36 0
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175082 75853054 1 OSN3C17H23 ABC3D17E23 20.33 0.83 -8.7 -0.51 1
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175083 75853213 1 ClN2O2C17H20 AB2C2D17E20 -43.66 2.11 0.0 0.0 0
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175084 75853446 1 OSN2C14H22 ABC2D14E22 -51.72 3.47 -8.66 -0.24 0
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175085 75853470 2 FN2O2H9C10 AB2C2D9E10 -106.5 5.7 -9.38 -1.18 -1
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175086 75853748 1 ClSN3O4H17C20 ABC3D4E17F20 -37.82 2.66 0.0 0.0 0
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175087 75853966 1 SO4N5H21C22 AB4C5D21E22 -71.18 8.67 -8.5 -1.08 0