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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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77452 49635611 1 SO3N5C17H23 AB3C5D17E23 -54.93 4.93 -9.11 -0.95 0
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77453 49635613 1 ClS2N3O3C13H20 AB2C3D3E13F20 -112.28 5.56 -9.36 -0.55 0
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77454 49635619 1 SO3N6C14H24 AB3C6D14E24 -99.49 6.21 -9.45 0.13 0
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77455 49635630 1 SN3O4C17H27 AB3C4D17E27 -159.7 7.38 -8.91 0.14 0
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77456 49635651 1 S2O3N4C17H22 A2B3C4D17E22 -69.26 5.72 -9.09 -0.78 0
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77457 49635653 1 FSN2O2C19H25 ABC2D2E19F25 -111.21 2.9 -9.11 -0.27 0
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77458 49635654 1 FSN3O3C18H28 ABC3D3E18F28 -176.92 4.93 -9.3 -0.14 0
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77459 49635664 1 O3N5C15H19 A3B5C15D19 -12.31 4.72 -9.27 -1.45 0
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77460 49635668 1 SN2O4C18H24 AB2C4D18E24 -120.1 4.82 -8.37 -0.07 0
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77461 49635677 1 SF2N3O3C16H23 AB2C3D3E16F23 -214.88 4.71 -9.19 -0.18 0
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77462 49635680 1 O2N4C13H24 A2B4C13D24 -82.62 2.45 -9.17 0.67 0
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77463 49635684 1 SN2O4C18H24 AB2C4D18E24 -121.02 3.56 -9.04 -0.42 0
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77464 49635693 1 SN3O4C19H31 AB3C4D19E31 -165.63 6.83 -9.34 0.25 0
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77465 49635703 1 FON5C19H26 ABC5D19E26 -54.82 4.45 -9.01 -0.12 0
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77466 49635713 1 O4N5C21H31 A4B5C21D31 -154.02 6.86 -8.99 -0.21 0
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77467 49635714 1 ClFO2N5C19H23 ABC2D5E19F23 -94.67 7.57 -9.05 -0.94 0
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77468 49635719 1 FSO3N4C19H29 ABC3D4E19F29 -165.89 3.97 -9.03 0.04 0
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77469 49640647 1 SO2N4C16H26 AB2C4D16E26 -74.48 5.35 -8.78 -0.26 0
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77470 49640648 1 SO2N3C18H21 AB2C3D18E21 -39.49 5.02 -9.07 -0.19 0
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77471 49640649 1 SO2N4C21H26 AB2C4D21E26 -39.63 5.19 -8.19 -0.37 0
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77472 49640650 1 SO2N3C21H31 AB2C3D21E31 -97.57 6.08 -8.86 0.04 0
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77473 49640651 1 ClSO3N4C18H19 ABC3D4E18F19 -64.47 4.62 -9.16 -0.73 0
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77474 49640652 1 SO2N3C17H25 AB2C3D17E25 -82.05 4.54 -9.1 -0.18 0
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77475 49642778 1 SN4O4C19H24 AB4C4D19E24 -122.31 5.35 -8.93 -0.7 0
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77476 49645498 2 N2O2C10H11 A2B2C10D11 -75.65 3.81 -9.24 -0.91 0