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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193037 78337573 1 FSN3O3C20H22 ABC3D3E20F22 -131.38 3.02 -9.71 -0.53 0
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193038 78337574 1 FSN3O3C21H32 ABC3D3E21F32 -185.96 5.46 -9.81 -0.25 0
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193039 78337575 1 FSN3O3C22H26 ABC3D3E22F26 -149.28 8.17 -9.45 -0.4 0
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193040 78337576 1 FSN3O4C20H22 ABC3D4E20F22 -161.64 5.25 -9.64 -0.52 0
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193041 78337577 1 SN3O4C20H23 AB3C4D20E23 -108.46 7.0 -9.2 -0.6 0
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193042 78337578 1 SN3O4C17H21 AB3C4D17E21 -103.27 6.12 -8.93 -1.43 0
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193043 78337579 1 SO2N5C11H21 AB2C5D11E21 -62.57 3.88 -8.87 -0.94 0
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193044 78337580 1 O5N6C23H24 A5B6C23D24 -49.69 2.47 -9.36 -1.5 0
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193045 78337581 1 IN3O5H12C17 AB3C5D12E17 -66.48 8.69 -9.36 -1.85 0
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193046 78337582 1 N4O4H8C15 A4B4C8D15 61.56 7.77 -9.95 -2.47 0
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193047 78337583 1 O3N5C24H27 A3B5C24D27 -61.45 4.78 -8.7 -0.28 1
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193048 78337584 1 BrO4N5C18H23 AB4C5D18E23 -102.71 1.82 0.0 0.0 0
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193049 78337585 1 O4N5C16H19 A4B5C16D19 -113.53 6.7 -8.68 -0.33 0
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193050 78337586 1 N2O4C19H20 A2B4C19D20 -14.02 5.88 -9.36 -1.35 0
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193051 78337587 1 SO2N3C22H29 AB2C3D22E29 -75.63 6.58 -8.53 -0.35 0
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193052 78337588 1 O3N7C26H39 A3B7C26D39 -61.61 3.89 -8.58 -0.24 1
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193053 78337589 1 SN2O3C12H23 AB2C3D12E23 -172.14 4.4 0.0 0.0 -2
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193054 78337590 1 PN5O7C10H12 AB5C7D10E12 -237.62 6.71 -9.88 -1.29 0
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193055 78337591 1 ClN5O5H18C23 AB5C5D18E23 -17.14 3.68 -9.49 -2.17 0
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193056 78337592 1 ON2F3C16H19 AB2C3D16E19 -192.91 3.2 -9.21 0.08 0
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193057 78337593 1 BrN3O4C21H22 AB3C4D21E22 -60.38 3.58 -8.47 -1.67 0
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193058 78337594 1 ClN4O7H11C16 AB4C7D11E16 -63.42 6.48 -9.58 -2.02 0
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193059 78337595 1 ClO3N6C18H23 AB3C6D18E23 -56.97 7.32 -9.15 -0.3 1
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193060 78337596 1 Cl2O5N6H27C30 A2B5C6D27E30 -48.39 10.18 0.0 0.0 0
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193061 78337597 1 Cl2O2N3H11C21 A2B2C3D11E21 90.56 5.93 -9.23 -2.01 0