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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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192633 78294618 1 ON6C26H34 AB6C26D34 42.17 1.52 -8.62 -0.34 0
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192634 78294648 1 N5O6C16H19 A5B6C16D19 -62.17 9.14 -9.25 -1.24 0
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192635 78294649 1 NO4C22H23 AB4C22D23 -120.12 5.32 -8.78 -1.22 1
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192636 78295147 1 O4N5C14H22 A4B5C14D22 -132.28 5.04 0.0 0.0 0
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192637 78295148 1 ON5C15H23 AB5C15D23 -24.01 4.5 -8.78 0.18 1
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192638 78295149 1 SO3N7C17H22 AB3C7D17E22 -40.56 4.6 0.0 0.0 0
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192639 78295162 1 ClO3N4H19C22 AB3C4D19E22 -0.51 2.42 -9.26 -1.26 0
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192640 78295233 1 O3N5C15H21 A3B5C15D21 -94.41 10.06 -9.39 -0.25 0
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192641 78295499 1 BrClSO2N3H11C16 ABCD2E3F11G16 15.23 4.31 -9.18 -1.95 0
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192642 78296014 2 NOC11H16 ABC11D16 -112.52 6.29 -9.29 0.35 0
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192643 78296015 1 O3N5C15H25 A3B5C15D25 -98.73 5.06 -9.2 -0.13 1
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192644 78296016 1 O4N6C18H29 A4B6C18D29 -146.5 2.33 0.0 0.0 0
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192645 78296017 1 N3O3H23C24 A3B3C23D24 -72.34 7.07 -9.05 -0.45 1
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192646 78296018 1 O4N6C17H27 A4B6C17D27 -106.64 2.63 0.0 0.0 1
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192647 78296046 1 N3O3H18C19 A3B3C18D19 -67.15 7.33 0.0 0.0 0
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192648 78296303 1 ClSO2N4H9C11 ABC2D4E9F11 -38.68 3.97 -9.4 -1.2 1
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192649 78296360 1 N4O5C25H27 A4B5C25D27 -140.05 5.63 0.0 0.0 -72
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192651 78296396 1 N2S2O3C13H16 A2B2C3D13E16 -81.15 5.47 -9.22 -1.15 0
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192652 78296509 1 SSeN2O2C16H22 ABC2D2E16F22 -66.06 4.78 -8.92 -0.97 0
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192653 78296510 1 SSeN2O2C17H24 ABC2D2E17F24 -72.28 6.59 -8.77 -0.8 0
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192654 78296531 1 SN15O16C35H69 AB15C16D35E69 -721.23 6.57 -8.84 -0.94 1
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192655 78297155 1 NO4F13C27H41 AB4C13D27E41 -864.26 21.32 0.0 0.0 0
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192656 78297188 1 SO3N5C26H33 AB3C5D26E33 -65.72 13.11 -9.58 -0.92 0
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192657 78297189 1 SN4O4C26H32 AB4C4D26E32 -87.54 9.13 -9.82 -1.01 0
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192658 78297190 1 SN4O4C25H30 AB4C4D25E30 -72.65 2.89 -9.65 -0.96 0
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192659 78297332 3 NO2C11H17 AB2C11D17 -301.01 3.74 -9.39 0.07 0
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192660 78297497 2 N5O20C54H104 A5B20C54D104 -1944.13 14.66 -8.34 -0.31 0
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192661 78297699 4 O2N4C13H18 A2B4C13D18 -280.31 6.05 -8.53 -0.66 0
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192662 78298097 1 SO2N5C10H13 AB2C5D10E13 -1.45 7.34 -8.4 -1.37 0
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192663 78298098 1 SO3N5C10H13 AB3C5D10E13 -34.45 7.48 -8.5 -1.5 0
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192664 78298099 1 FSO2N4C10H11 ABC2D4E10F11 -36.88 7.55 -9.02 -1.9 0
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192665 78298370 2 ON3C13H19 AB3C13D19 -24.18 9.33 -8.54 -0.29 0
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192666 78298371 1 O3N5C26H37 A3B5C26D37 -70.56 3.59 -8.42 -0.24 0
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192667 78298431 1 O5N6C26H40 A5B6C26D40 -176.7 7.41 -8.99 -0.38 0
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192668 78298432 1 O3N6C25H40 A3B6C25D40 -93.59 2.33 -8.69 -0.25 0
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192669 78298828 2 NOC4H6 ABC4D6 -82.38 4.5 -10.48 -0.82 0
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192670 78298829 1 N2O2C9H12 A2B2C9D12 -59.35 4.51 -10.53 -0.85 0
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192671 78298830 1 N2O2C9H14 A2B2C9D14 -86.23 4.65 -10.5 -0.85 1
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192672 78298831 1 O2N6C26H29 A2B6C26D29 41.6 2.27 0.0 0.0 0
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192673 78298938 1 OSN4C6H10 ABC4D6E10 -3.08 5.51 -9.04 -0.84 0
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192674 78299487 2 NO2C11H14 AB2C11D14 -109.22 4.09 -8.54 -0.14 0
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192675 78299658 1 N2O12C23H36 A2B12C23D36 -491.69 5.78 -8.07 -1.65 1
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192676 78299673 1 O3N4C14H21 A3B4C14D21 -103.11 5.07 0.0 0.0 0
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192677 78300414 1 N2O3C15H22 A2B3C15D22 -126.01 3.29 -8.69 0.06 0
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192678 78301149 2 INO2C8H15 ABC2D8E15 -63.97 43.72 -4.73 -2.32 1
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192679 78301301 1 N4O4C18H21 A4B4C18D21 -75.86 3.77 0.0 0.0 1
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192680 78301456 1 O3N4C20H25 A3B4C20D25 -63.91 3.82 0.0 0.0 0
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192681 78301562 1 NOSC23H27 ABCD23E27 -7.42 1.52 -8.48 -0.17 1
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192682 78301675 1 O2S2N5C15H24 A2B2C5D15E24 -36.76 5.67 0.0 0.0 0
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192683 78301808 1 ClN4O6C16H21 AB4C6D16E21 -148.59 3.68 -9.61 -1.37 1