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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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429491 135169540 1 SO4N6C22H24 AB4C6D22E24 -23.06 2.78 -8.47 -0.78 0
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429492 135169541 6 NC3H4 AB3C4 64.83 2.4 -8.45 -0.31 0
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429493 135169542 1 SO2N3C25H25 AB2C3D25E25 2.79 4.93 -8.43 -0.46 0
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429494 135169543 1 SO2N4H20C24 AB2C4D20E24 37.7 4.86 -8.47 -0.57 0
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429495 135169544 1 ClSO2N4C21H21 ABC2D4E21F21 -11.0 1.94 -8.37 -0.64 0
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429496 135169545 1 SO2N3C25H25 AB2C3D25E25 1.05 3.21 -8.41 -0.44 0
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429497 135169546 1 BrSO2N3H18C22 ABC2D3E18F22 22.12 4.1 -8.6 -0.74 0
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429498 135169547 1 OF3N9H18C23 AB3C9D18E23 2.58 11.28 -8.23 -1.12 0
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429499 135169548 1 ClO2F3N4H16C19 AB2C3D4E16F19 -153.88 6.61 -8.73 -1.01 0
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429500 135169549 1 ON5H31C50 AB5C31D50 248.41 3.09 -8.24 -1.15 0
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429501 135169550 1 ON2F7C8H9 AB2C7D8E9 -374.96 1.59 -9.73 -0.84 0
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429502 135169551 1 ClO2F3N4C20H20 AB2C3D4E20F20 -147.56 7.03 -8.33 -1.0 0
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429503 135169552 1 ON2H8C9F10 AB2C8D9E10 -531.79 3.92 -9.79 -1.36 0
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429504 135169553 1 ON2C8F8H8 AB2C8D8E8 -421.93 1.92 -9.93 -0.9 0
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429505 135169554 1 SO3N7C23H27 AB3C7D23E27 -2.75 3.38 -8.38 -0.42 0
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429506 135169555 1 SO2N7C17H17 AB2C7D17E17 63.03 5.2 -8.32 -0.42 0
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429507 135169556 1 SN4C8H10 AB4C8D10 64.35 3.15 -8.5 -1.2 0
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429508 135169557 2 NC7H11 AB7C11 -10.49 3.64 -7.98 0.58 0
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429509 135169558 2 NC11H15 AB11C15 19.12 2.64 -8.73 0.2 0
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429510 135169559 1 N2O2C23H28 A2B2C23D28 -55.29 3.52 -8.59 -0.75 0
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429511 135169560 1 O2N3F4H13C16 A2B3C4D13E16 -215.25 6.26 -9.58 -1.3 0
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429512 135169561 1 ClF3O3N5H15C21 AB3C3D5E15F21 -149.81 6.86 -9.45 -1.61 0
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429513 135169562 1 ClSO2N3C19H20 ABC2D3E19F20 -29.42 5.09 -8.49 -0.68 0
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429514 135169563 1 ClF3N8H14C22 AB3C8D14E22 65.51 9.28 -9.02 -1.69 0
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429515 135169564 1 ClSO2N3C19H20 ABC2D3E19F20 -29.12 4.44 -8.48 -0.66 0