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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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233590 91145543 1 BrClN3O4C32H41 ABC3D4E32F41 -176.3 4.61 -8.41 -0.29 1
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233591 91145544 1 O5N6C31H39 A5B6C31D39 -136.02 5.33 0.0 0.0 0
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233592 91145554 1 ClPSN3O5C14H23 ABCD3E5F14G23 -245.71 6.45 -8.45 -0.13 0
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233593 91145558 3 O4C19H26 A4B19C26 -562.68 4.27 -8.45 0.16 0
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233594 91145560 1 SN2O8C41H44 AB2C8D41E44 -252.97 3.7 -8.44 -0.24 0
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233595 91145561 1 SO3N4C13H22 AB3C4D13E22 -149.38 6.11 -9.24 -0.12 1
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233596 91145563 1 ClFO4N6C24H31 ABC4D6E24F31 -157.88 4.83 0.0 0.0 0
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233597 91145566 1 NSO4C20H21 ABC4D20E21 -94.39 1.34 -8.88 -0.48 0
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233598 91145592 1 SCl2F2O4N14H36C42 AB2C2D4E14F36G42 24.51 9.54 -8.65 -1.63 0
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233599 91145593 4 NH3C4 AB3C4 106.39 1.4 -8.47 -0.76 0
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233600 91145626 1 O2C9H18 A2B9C18 -111.32 0.75 -10.26 0.89 0
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233601 91145627 1 N2O5H24C27 A2B5C24D27 -126.88 7.34 -9.2 -1.03 1
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233602 91145628 1 PN2O3C26H34 AB2C3D26E34 -127.04 4.41 0.0 0.0 0
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233603 91145631 1 SCl2N4O4C31H32 AB2C4D4E31F32 -101.01 6.97 -8.72 -1.44 0
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233604 91145632 1 FO2C19H23 AB2C19D23 -128.21 2.18 -9.48 -0.35 1
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233605 91145640 1 ClN2S2O10C30H32 AB2C2D10E30F32 -189.63 9.39 0.0 0.0 0
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233606 91145678 1 O7H14C20 A7B14C20 -206.2 2.07 -10.02 -1.63 0
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233607 91145683 2 NO2C8H14 AB2C8D14 -185.73 6.75 -9.5 -0.42 0
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233609 91145953 1 N5O6C37H39 A5B6C37D39 -131.08 5.1 -8.45 -1.45 0
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233610 91146061 1 NOCl2F3H18C19 ABC2D3E18F19 -183.02 5.07 -9.36 -0.77 0
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233611 91146087 1 O2N3C27H29 A2B3C27D29 4.82 1.86 -9.18 -1.12 0
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233612 91146098 1 ON2C10H18 AB2C10D18 -43.89 2.27 -8.52 2.09 0
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233613 91146099 1 N2F3H7C11 A2B3C7D11 -92.18 4.4 -10.42 -1.0 0
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233614 91146100 1 ClSO3N5H18C19 ABC3D5E18F19 -46.35 4.07 -9.43 -1.43 0
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233615 91146217 1 NOH11C14 ABC11D14 87.74 1.93 -8.83 -0.53 0