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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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160513 57309861 1 SN2O7H14C18 AB2C7D14E18 -158.26 12.65 -9.08 -1.79 1
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160514 57309862 1 N3O5C16H20 A3B5C16D20 -123.46 5.83 0.0 0.0 0
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160515 57309863 1 FOS2N3H12C15 ABC2D3E12F15 13.12 0.71 -9.27 -1.74 0
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160517 57309865 1 O4C9H12 A4B9C12 -151.53 3.44 -9.34 -0.27 0
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160518 57309866 1 O3C6H8 A3B6C8 -105.52 4.6 -10.6 -0.32 0
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160519 57309867 1 NO2S3C12H15 AB2C3D12E15 -72.15 3.19 -8.52 -1.06 0
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160520 57309868 1 O3C20H36 A3B20C36 -159.81 5.94 -10.08 0.53 0
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160521 57309869 1 NO2C13H13 AB2C13D13 -27.78 4.38 -9.08 -0.58 1
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160522 57309870 1 SN2C5H11 AB2C5D11 33.4 7.69 0.0 0.0 0
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160523 57309871 1 BrN2O2C21H27 AB2C2D21E27 -66.86 5.08 -9.27 -1.04 0
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160525 57309873 1 NO5C31H31 AB5C31D31 -94.4 3.25 -8.3 -0.17 0
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160526 57309874 1 O3S3F5N7C13H20 A3B3C5D7E13F20 -280.69 10.02 -8.77 -0.73 0
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160527 57309875 1 OSN2C11H16 ABC2D11E16 -28.16 3.7 -8.49 0.16 0
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160528 57309876 1 SN5O6C21H27 AB5C6D21E27 -169.83 9.16 -8.88 -0.83 0
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160529 57309877 1 P3C6O13H15 A3B6C13D15 -790.16 7.19 -10.6 -0.34 0
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160531 57352489 1 N3O4C22H29 A3B4C22D29 -74.79 3.76 -8.22 -0.06 0
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160532 57388948 1 FN6O6C28H35 AB6C6D28E35 -255.09 4.22 -9.5 -1.54 0
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160534 57388958 1 FN5O7C42H47 AB5C7D42E47 -258.22 12.55 0.0 0.0 0
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160535 57388962 1 FOSN3C19H26 ABCD3E19F26 -42.18 3.7 -8.49 -0.24 0
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160536 57388969 1 OSN6C14H18 ABC6D14E18 27.48 2.97 -8.82 -0.95 0
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160537 57388971 2 ON3C9H12 AB3C9D12 -16.25 3.62 -8.92 -0.74 0
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160538 57388972 1 O2N6C17H24 A2B6C17D24 -18.68 6.82 -9.13 -0.8 0
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160539 57388982 1 FON3C16H16 ABC3D16E16 -45.4 4.27 -9.12 -1.12 0
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160540 57388992 1 ClS2F3O3N5H25C30 AB2C3D3E5F25G30 -138.12 7.15 -8.54 -0.82 0
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160541 57389000 1 F2O9N10C66H90 A2B9C10D66E90 -439.97 8.06 -9.28 -1.06 0
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160543 57389003 1 SO4C6N6H8 AB4C6D6E8 -58.45 5.94 -10.43 -1.87 0
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160544 57389005 1 SF3O4N6H13C14 AB3C4D6E13F14 -189.48 3.74 -8.91 -2.02 0
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160545 57389006 1 SF3O3N6C8H9 AB3C3D6E8F9 -176.12 6.14 -9.68 -2.02 0
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160546 57389007 1 S2O3N6C8H12 A2B3C6D8E12 -18.14 5.4 -9.48 -1.78 0
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160549 57389016 1 F3N3O3C26H26 A3B3C3D26E26 -235.92 3.02 -8.99 -0.88 0
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160550 57389017 1 F3O3N4C25H25 A3B3C4D25E25 -223.78 5.0 -9.56 -0.99 0
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160552 57389022 1 S2F3N4O7C29H29 A2B3C4D7E29F29 -313.47 7.15 -9.05 -1.08 0
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160553 57389024 1 SN3O4C27H33 AB3C4D27E33 -81.72 7.22 -9.03 -1.1 0
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160554 57389029 1 F2N5O5C23H25 A2B5C5D23E25 -243.85 5.94 -9.8 -1.26 0
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160556 57389035 1 SN2F3O4C18H19 AB2C3D4E18F19 -274.06 4.3 -9.08 -1.4 0
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160557 57389036 1 N2S2F3O4C19H21 A2B2C3D4E19F21 -271.84 6.44 -9.03 -1.3 0
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160558 57389038 1 SN2F3O5C19H19 AB2C3D5E19F19 -317.81 5.83 -9.96 -1.39 1
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160559 57389041 1 SN5O6C43H46 AB5C6D43E46 -135.03 5.9 0.0 0.0 0
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160560 57389043 1 OSN3C18H25 ABC3D18E25 10.31 1.16 -8.55 -0.31 0
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160561 57389044 1 ClSO2N3C20H30 ABC2D3E20F30 -66.0 3.08 -8.26 -0.3 0
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160562 57389047 1 ClSO2N3C21H32 ABC2D3E21F32 -72.63 1.01 -8.17 -0.27 0
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160563 57389049 1 ClSO2N3C22H34 ABC2D3E22F34 -81.13 5.57 -8.14 -0.29 0
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160565 57389059 1 ClON3C16H16 ABC3D16E16 -6.53 2.7 -8.94 -1.1 0
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160566 57389061 1 ClON3H14C16 ABC3D14E16 25.66 4.57 -8.98 -1.15 0
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160567 57389071 1 NF3C16H16 AB3C16D16 -104.72 2.63 -9.49 -0.87 0
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160569 57389074 1 FNCl2C16H16 ABC2D16E16 -32.28 2.59 -9.46 -0.92 0
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160570 57389075 1 SO3F4N6C30H30 AB3C4D6E30F30 -224.6 4.6 -8.38 -0.74 0
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160571 57389080 1 O2Cl3N4H19C23 A2B3C4D19E23 -16.63 8.07 -8.53 -0.82 0
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160572 57389089 1 SO3N6C8H8 AB3C6D8E8 41.44 7.02 -10.0 -1.82 0
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160573 57389090 2 SO2N3C5H7 AB2C3D5E7 -56.25 5.07 -9.43 -1.86 0