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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138013 52299821 1 O2F3N3C22H24 A2B3C3D22E24 -205.57 7.07 -8.95 -0.7 1
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138014 52299822 1 O2N3C23H32 A2B3C23D32 -20.69 3.86 0.0 0.0 1
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138015 52300431 1 ClN3O4C18H21 AB3C4D18E21 -20.64 8.06 0.0 0.0 -1
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138016 52300481 1 ClFNSO5H12C15 ABCDE5F12G15 -192.46 6.54 0.0 0.0 1
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138017 52300525 1 N2O2C20H27 A2B2C20D27 -26.56 3.43 0.0 0.0 0
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138018 52300555 1 SO3N5H21C22 AB3C5D21E22 62.08 7.29 -9.07 -0.78 0
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138019 52301070 1 O2N7H15C19 A2B7C15D19 82.38 4.49 -8.52 -0.48 0
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138020 52301071 1 O2N7H15C19 A2B7C15D19 82.14 2.62 -8.56 -0.58 1
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138021 52301179 1 N3O4C19H32 A3B4C19D32 -197.45 6.4 0.0 0.0 0
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138022 52301337 1 N3O4C21H29 A3B4C21D29 -174.69 5.29 -9.24 -0.1 1
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138023 52301425 1 O3N4C20H27 A3B4C20D27 -69.8 4.33 0.0 0.0 0
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138024 52301426 1 O3N4C20H26 A3B4C20D26 -90.97 4.19 -8.43 0.18 0
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138025 52301427 1 S2O3N4H22C24 A2B3C4D22E24 27.59 8.86 -9.28 -1.04 1
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138026 52301428 1 O2N4C16H25 A2B4C16D25 -62.98 3.91 0.0 0.0 0
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138027 52301429 2 ON2C8H12 AB2C8D12 -89.95 3.98 -8.51 0.11 1
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138028 52301430 1 FO2N3C22H29 AB2C3D22E29 -94.85 2.03 0.0 0.0 0
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138029 52301431 1 FO2N3C22H28 AB2C3D22E28 -107.23 5.12 -8.93 0.09 0
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138030 52301432 1 S2O3N4H22C24 A2B3C4D22E24 28.13 5.36 -9.36 -1.34 0
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138031 52301433 1 ClO2N3C18H20 AB2C3D18E20 -69.6 4.91 -8.51 -0.49 0
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138032 52301434 1 ClO2N3C18H20 AB2C3D18E20 -70.42 1.98 -8.43 -0.26 1
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138033 52301570 1 OSN2C15H25 ABC2D15E25 -25.37 1.81 0.0 0.0 1
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138034 52301571 1 S2O3N4C16H25 A2B3C4D16E25 -99.68 18.02 0.0 0.0 0
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138035 52301572 1 S2O3N4C16H24 A2B3C4D16E24 -101.18 4.55 -8.94 -1.0 0
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138036 52301689 1 O2S2N3C19H19 A2B2C3D19E19 -16.83 2.57 -8.78 -0.82 0
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138037 52301954 1 FN2O2C20H29 AB2C2D20E29 -140.86 4.24 -9.54 -0.01 0