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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194795 78590805 1 ClO3N4C18H19 AB3C4D18E19 -66.01 3.07 -8.66 -0.6 0
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194796 78590912 1 NCl2O5H15C19 AB2C5D15E19 -162.86 1.42 -9.31 -1.38 0
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194797 78590913 1 Cl2N2O3H12C18 A2B2C3D12E18 -46.41 7.04 -9.42 -1.74 0
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194798 78590914 1 Cl2N2O5H12C17 A2B2C5D12E17 -81.95 4.53 -9.68 -1.66 1
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194799 78591183 1 OS2N3C16H18 AB2C3D16E18 46.4 2.58 0.0 0.0 0
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194800 78591210 1 FOS2N4C19H19 ABC2D4E19F19 5.67 5.39 -8.64 -1.18 0
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194801 78591211 1 N2O5C24H26 A2B5C24D26 -169.78 6.33 -9.47 -1.56 0
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194802 78591286 1 N2O4H18C19 A2B4C18D19 -98.2 3.95 -9.47 -1.16 -1
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194803 78591295 1 NO2F3H17C23 AB2C3D17E23 -111.4 6.51 0.0 0.0 0
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194804 78591353 1 ClSN2O3H17C19 ABC2D3E17F19 -24.55 6.01 -8.72 -1.05 0
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194805 78591354 1 FSN4O4H15C16 ABC4D4E15F16 -54.58 3.9 -9.41 -1.93 0
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194806 78591355 1 ON3C21H23 AB3C21D23 27.55 7.23 -8.42 -0.84 0
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194807 78591356 1 FSO2N3C18H20 ABC2D3E18F20 -67.16 5.33 -8.65 -0.65 0
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194808 78592659 1 N2O6C15H18 A2B6C15D18 -231.25 3.93 -9.42 -1.22 0
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194809 78592859 1 FN2O3H17C19 AB2C3D17E19 -73.97 4.6 -8.68 -1.31 1
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194810 78592943 1 SO2N3C22H26 AB2C3D22E26 14.5 12.97 0.0 0.0 0
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194811 78593054 1 N2O5C23H24 A2B5C23D24 -170.63 7.94 -9.06 -0.69 -1
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194812 78593155 1 NO7C22H24 AB7C22D24 -227.56 8.22 0.0 0.0 1
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194813 78593159 1 BrO2N3H19C20 AB2C3D19E20 -4.57 3.57 0.0 0.0 -1
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194814 78593160 1 O4N5C21H28 A4B5C21D28 -126.24 5.55 0.0 0.0 1
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194815 78593308 1 NO3C18H32 AB3C18D32 -132.06 4.77 0.0 0.0 1
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194816 78593309 1 NO3C18H28 AB3C18D28 -128.4 1.65 0.0 0.0 1
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194817 78593310 1 NO5C18H26 AB5C18D26 -180.56 5.88 0.0 0.0 0
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194818 78593365 1 ClN2O4C17H17 AB2C4D17E17 -121.41 4.13 -8.87 -1.57 0
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194819 78593469 1 ClO3N5C18H20 AB3C5D18E20 -69.23 4.08 -8.82 -0.36 1
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194820 78593470 1 ClO4N5C17H19 AB4C5D17E19 -98.77 2.79 0.0 0.0 1
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194821 78593471 1 ClN5O5C16H21 AB5C5D16E21 -177.02 4.78 0.0 0.0 1
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194822 78593472 1 Cl2O3N5C17H18 A2B3C5D17E18 -80.66 3.72 0.0 0.0 -1
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194823 78593851 1 N3O6H10C20 A3B6C10D20 37.55 4.61 0.0 0.0 0
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194824 78593953 1 NO4C19H21 AB4C19D21 -124.33 2.9 -9.41 -0.99 0
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194825 78594187 1 FSN2O3H17C20 ABC2D3E17F20 -73.45 5.32 -9.2 -1.16 0
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194826 78594188 1 FN2O4H19C21 AB2C4D19E21 -98.11 5.2 -9.05 -0.91 0
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194827 78594472 1 N3O4C17H23 A3B4C17D23 -106.4 2.41 -8.21 -0.62 1
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194828 78594482 1 O2N4C20H21 A2B4C20D21 28.26 17.24 0.0 0.0 0
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194829 78594483 2 ON2C10H10 AB2C10D10 22.83 3.13 -8.68 -1.43 0
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194830 78594538 1 N4O4C23H30 A4B4C23D30 -109.42 5.36 -9.06 -0.4 0
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194831 78594949 1 SO2N4C19H22 AB2C4D19E22 -30.13 7.84 -9.72 -1.01 0
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194832 78596015 1 ON3C17H21 AB3C17D21 -2.23 5.62 -8.97 0.13 0
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194833 78596358 1 SN4O4C17H24 AB4C4D17E24 -66.26 7.07 -9.18 -1.3 0
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194834 78596440 1 BrFON2H14C16 ABCD2E14F16 -11.49 5.59 -9.21 -0.87 0
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194835 78596604 1 F2N2O3H18C22 A2B2C3D18E22 -106.32 2.03 -8.46 -0.76 0
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194836 78596605 1 F2N3O3H15C20 A2B3C3D15E20 -83.5 2.72 -8.57 -1.1 0
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194837 78596606 1 SF2N2O3H14C19 AB2C2D3E14F19 -88.09 5.1 -8.46 -1.06 0
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194838 78596612 1 N2O2F6H10C15 A2B2C6D10E15 -302.66 2.91 -8.64 -0.94 0
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194839 78596762 1 Cl2N2H14C19 A2B2C14D19 90.47 3.96 -8.51 -0.78 0
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194840 78596856 1 BrClN2O2H14C16 ABC2D2E14F16 -10.6 1.43 -9.45 -0.82 0
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194841 78597033 1 ClSN4O4C16H17 ABC4D4E16F17 -37.58 9.92 -8.75 -1.54 0
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194842 78597271 1 ClN3O3H12C17 AB3C3D12E17 62.47 6.62 -8.68 -1.69 1
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194843 78597400 1 ON3H20C22 AB3C20D22 77.7 0.89 0.0 0.0 1
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194844 78597401 1 N4H21C23 A4B21C23 119.14 1.42 0.0 0.0 0