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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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192607 78290895 1 Cl2N2O4H16C19 A2B2C4D16E19 -75.09 4.11 -9.05 -1.29 0
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192608 78291007 1 BrSN3O3H12C15 ABC3D3E12F15 4.34 3.36 -8.94 -1.42 0
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192609 78291008 1 ClSN3O3H14C16 ABC3D3E14F16 -12.52 4.63 -8.86 -1.41 0
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192610 78291048 1 BrNO4C17H18 ABC4D17E18 -80.89 2.53 -8.88 -1.5 0
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192611 78291049 1 NO4C16H17 AB4C16D17 -78.44 2.83 -8.64 -1.28 0
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192612 78291050 1 NO3H17C20 AB3C17D20 -9.21 6.04 -9.31 -1.06 0
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192613 78291344 2 NO2C9H10 AB2C9D10 -101.7 1.94 -8.78 -0.44 0
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192614 78291745 1 OSN3C7H11 ABC3D7E11 27.53 4.4 -9.58 -2.64 0
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192615 78291746 1 ClO2N3C5H8 AB2C3D5E8 -74.39 6.73 -10.0 -1.14 0
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192616 78291758 1 NO3F6H9C14 AB3C6D9E14 -395.76 4.84 -10.67 -2.17 0
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192617 78291759 1 NF3O3H10C13 AB3C3D10E13 -240.54 3.36 -10.44 -1.8 0
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192618 78291760 1 ClN2O4C20H29 AB2C4D20E29 -162.5 6.96 -8.0 -1.49 0
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192619 78291761 2 NSC4H5 ABC4D5 32.72 6.56 -8.49 -0.61 0
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192621 78292453 1 N2O3C11H14 A2B3C11D14 -87.54 6.76 -9.09 -0.76 0
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192622 78292666 1 PO2N3H26C28 AB2C3D26E28 11.48 8.26 -8.78 -0.37 0
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192623 78292702 1 O3N4C22H24 A3B4C22D24 -73.76 1.6 -8.7 -0.28 0
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192624 78292703 1 ClO3N4C21H21 AB3C4D21E21 -74.54 3.42 -8.69 -0.43 0
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192625 78292813 2 ON2H6C8 AB2C6D8 80.89 2.55 -8.91 -0.88 1
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192626 78292895 1 N4O4H17C18 A4B4C17D18 -76.97 2.22 0.0 0.0 1
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192627 78292896 1 Cl2O2N3H10C13 A2B2C3D10E13 -39.63 1.49 0.0 0.0 0
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192628 78293305 1 N3O3H21C26 A3B3C21D26 56.12 8.01 -8.57 -1.87 0
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192629 78293784 1 BrO2N6C20H21 AB2C6D20E21 8.15 7.99 -9.4 -0.59 0
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192630 78294043 1 O3N4H10C11 A3B4C10D11 -29.03 6.49 -9.17 -0.73 0
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192631 78294256 1 N2Na2S4O6H12C15 A2B2C4D6E12F15 -307.54 13.16 -8.62 -1.68 0
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192632 78294425 1 ClNO2H18C19 ABC2D18E19 109.35 6.97 -9.09 -1.1 0