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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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440120 135230020 1 SN2H40C55 AB2C40D55 284.47 1.9 -7.02 -0.04 0
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440121 135230021 1 O9C50H90 A9B50C90 -518.02 4.65 -10.03 0.44 0
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440122 135230022 1 O19C108H188 A19B108C188 -1052.46 6.48 -8.63 0.06 0
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440123 135230023 1 O2N3C13H23 A2B3C13D23 -74.24 3.18 -8.38 0.84 0
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440124 135230024 2 FNSO2C9H9 ABCD2E9F9 -180.71 7.66 -9.01 -0.98 0
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440125 135230025 1 PN2O2C20H27 AB2C2D20E27 -110.21 5.29 -7.68 0.44 0
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440126 135230026 1 NS2O5C10H15 AB2C5D10E15 -225.73 4.73 -9.37 -1.48 0
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440127 135230027 1 NSO3C26H41 ABC3D26E41 -177.72 5.96 -8.95 -0.42 0
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440128 135230028 1 O2S2C13H20 A2B2C13D20 -64.02 5.59 -9.43 -1.52 0
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440129 135230029 1 O2C15H20 A2B15C20 -62.12 1.96 -9.67 -1.45 0
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440130 135230030 1 Cl2N2O4C15H20 A2B2C4D15E20 -199.04 5.97 -9.72 -0.73 0
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440131 135230031 1 ClO6C25H31 AB6C25D31 -223.59 2.15 -8.9 -0.42 1
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440132 135230032 1 O2N3C12H22 A2B3C12D22 -50.38 2.54 0.0 0.0 0
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440133 135230033 1 NC15H23 AB15C23 46.81 2.0 -8.36 0.72 0
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440134 135230034 1 OSN2H42C55 ABC2D42E55 244.15 0.95 -7.06 -0.22 0
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440135 135230035 1 SF2N2O4H16C19 AB2C2D4E16F19 -197.6 7.98 -9.02 -1.54 0
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440136 135230036 1 N3O5C35H53 A3B5C35D53 -268.27 4.1 -9.3 -0.38 0
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440137 135230037 1 SN3O5C32H47 AB3C5D32E47 -248.8 3.58 -8.4 -0.43 0
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440138 135230038 1 N2F3O4C32H43 A2B3C4D32E43 -357.96 5.7 -9.13 -0.88 0
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440139 135230039 1 F4N7O10H49C50 A4B7C10D49E50 -523.42 9.47 -9.36 -1.14 0
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440140 135230040 1 N2F3O4C34H47 A2B3C4D34E47 -361.75 6.76 -9.22 -1.03 1
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440141 135230041 1 O5N6C30H43 A5B6C30D43 -171.11 9.4 0.0 0.0 0
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440142 135230042 2 ClNO2C16H21 ABC2D16E21 -208.64 4.68 -8.82 -1.05 0
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440143 135230043 1 F4N7O10C54H57 A4B7C10D54E57 -546.64 9.62 -9.32 -0.86 0
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440144 135230044 1 N2O3C17H24 A2B3C17D24 -85.19 7.34 -8.57 -0.88 0