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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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79578 49829588 1 N3O6C23H34 A3B6C23D34 -281.32 4.07 0.0 0.0 1
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79579 49829590 1 N2O2S2H23C24 A2B2C2D23E24 46.24 6.78 0.0 0.0 -1
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79580 49829595 1 N2S2O4C22H23 A2B2C4D22E23 -86.16 10.97 0.0 0.0 0
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79581 49829598 1 FSN2O5C22H25 ABC2D5E22F25 -230.25 1.48 -8.66 -0.85 1
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79582 49829606 1 ClSN3O3C21H27 ABC3D3E21F27 -80.51 6.72 0.0 0.0 0
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79583 49829618 1 N2O7C20H24 A2B7C20D24 -288.26 6.66 -9.59 -0.48 0
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79584 49829619 1 BrN2O4H17C19 AB2C4D17E19 -102.42 5.28 -9.01 -1.3 1
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79585 49829625 1 ClFO3N4C20H21 ABC3D4E20F21 -94.96 19.41 0.0 0.0 0
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79586 49829628 1 Cl2N2O3H16C20 A2B2C3D16E20 -60.15 4.34 -9.33 -1.56 0
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79587 49829629 1 SN3O3H19C22 AB3C3D19E22 -23.87 3.14 -9.13 -1.0 1
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79588 49829632 1 N5O5C20H24 A5B5C20D24 -143.04 8.29 0.0 0.0 0
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79589 49829638 1 FN2O4C23H27 AB2C4D23E27 -190.16 3.18 -9.58 -0.22 0
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79590 49829646 1 ClFN3O5H17C18 ABC3D5E17F18 -223.66 7.17 -9.13 -1.55 0
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79591 49829649 1 NO4C24H39 AB4C24D39 -212.33 7.55 -9.24 0.86 0
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79592 49829650 1 N3O4H21C24 A3B4C21D24 -67.28 5.7 -9.4 -0.97 0
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79593 49829651 1 S2N3O4C19H19 A2B3C4D19E19 -116.74 4.95 -8.69 -1.1 0
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79594 49829654 1 SO3N4C22H22 AB3C4D22E22 -69.24 7.8 -8.68 -0.56 2
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79595 49829656 1 N2O3C25H36 A2B3C25D36 6.72 4.57 -5.25 -0.07 2
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79596 49829660 1 ClON4C23H33 ABC4D23E33 0.96 2.69 -8.95 -1.12 0
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79597 49829669 2 OSC12H18 ABC12D18 -21.44 0.32 -8.58 0.18 0
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79598 49829676 1 BrSN2O4H13C16 ABC2D4E13F16 -53.78 3.1 -8.92 -1.31 0
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79599 49829681 1 N2O6C23H24 A2B6C23D24 -185.52 5.24 -9.55 -0.87 0
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79600 49829684 1 ClSO2N3C20H20 ABC2D3E20F20 -5.99 1.88 -8.7 -0.53 1
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79601 49829689 1 ClN2O2C23H32 AB2C2D23E32 -41.11 2.71 0.0 0.0 0
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79602 49829690 1 ClNO5C22H26 ABC5D22E26 -193.86 5.69 -8.73 -0.25 2