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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195795 78732387 1 ClN2O2C19H22 AB2C2D19E22 -4.08 16.04 0.0 0.0 0
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195796 78732388 1 ClN2O2C19H21 AB2C2D19E21 -28.32 4.53 -9.1 -0.82 1
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195797 78732389 1 ClON2C21H24 ABC2D21E24 19.08 3.64 0.0 0.0 0
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195798 78732390 1 ClON2C21H23 ABC2D21E23 3.35 4.89 -9.08 -0.57 1
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195799 78732391 1 ClN2O2C22H26 AB2C2D22E26 -28.98 5.06 0.0 0.0 0
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195800 78732542 1 N3O4C24H29 A3B4C24D29 -113.58 4.69 -8.18 0.13 1
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195801 78732543 1 N3O4C23H28 A3B4C23D28 -99.95 4.07 0.0 0.0 0
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195802 78732544 1 N3O4C23H27 A3B4C23D27 -117.15 4.6 -7.94 0.06 0
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195803 78732571 1 ClN3O3C22H26 AB3C3D22E26 -79.66 1.92 -8.76 -0.14 1
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195804 78732710 1 O2N3C22H28 A2B3C22D28 -19.54 2.37 0.0 0.0 1
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195805 78732806 1 ClO2N3C20H25 AB2C3D20E25 -29.26 3.84 0.0 0.0 0
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195806 78732807 1 ClO2N3C20H24 AB2C3D20E24 -48.58 5.08 -8.36 -0.28 0
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195807 78733099 2 NSO2C9H12 ABC2D9E12 -169.81 4.93 -8.89 -1.05 1
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195808 78733100 1 O2F3N3C20H23 A2B3C3D20E23 -198.19 6.0 0.0 0.0 0
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195809 78733326 1 NO6H21C23 AB6C21D23 -174.89 7.42 -8.8 -1.01 0
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195810 78733394 1 O3N4C19H26 A3B4C19D26 -104.08 6.09 -8.74 -0.05 1
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195811 78733644 1 ClO2N3C17H19 AB2C3D17E19 -44.52 7.12 0.0 0.0 0
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195812 78733760 1 ClO2N3C15H22 AB2C3D15E22 -94.46 3.44 -9.5 -0.13 1
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195813 78734063 1 SN3O3C18H28 AB3C3D18E28 -90.35 3.61 0.0 0.0 0
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195814 78734342 1 N2O5C17H18 A2B5C17D18 -154.3 3.53 -9.68 -1.97 0
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195815 78734441 1 FOS2N3H14C19 ABC2D3E14F19 49.13 3.35 -8.92 -1.07 0
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195816 78734626 1 SO4N5C19H19 AB4C5D19E19 25.11 7.38 -8.93 -2.14 0
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195817 78734746 1 OSN4C19H20 ABC4D19E20 64.0 8.8 -8.6 -0.96 0
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195818 78734817 1 SN2O5C20H22 AB2C5D20E22 -128.74 8.02 -8.41 -1.01 0
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195819 78735197 1 OBr2N4C14H16 AB2C4D14E16 41.99 4.5 -8.41 -2.36 0