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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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16029 458063 1 S2N3O5C15H17 A2B3C5D15E17 -165.6 4.77 -8.95 -0.65 0
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16030 458078 1 N4O5H16C17 A4B5C16D17 35.67 5.54 -10.32 -1.59 0
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16031 458084 1 PI2O4H13C14 AB2C4D13E14 -160.64 3.35 -9.16 -1.19 0
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16032 458129 3 CH2O2 AB2C2 -273.4 2.39 -11.38 -0.51 0
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16033 458143 2 OC7H7 AB7C7 -60.2 2.69 -8.8 0.01 0
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16034 458184 1 O6H14C17 A6B14C17 -174.74 4.06 -8.76 -1.51 0
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16035 458193 2 OH8C10 AB8C10 3.76 5.27 -9.22 -0.57 0
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16036 458256 1 BrOH7C12 ABC7D12 26.45 2.5 -9.15 -0.83 0
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16037 458391 1 NO3C8H15 AB3C8D15 -110.65 4.1 -10.25 -0.58 0
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16038 458406 1 ON2C17H26 AB2C17D26 -28.48 4.19 -9.09 -0.19 0
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16039 458409 1 ON3C9H17 AB3C9D17 -49.32 4.82 -9.13 0.57 0
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16042 458454 1 NOC17H21 ABC17D21 -21.22 1.05 -8.71 -0.38 0
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16043 458593 1 O2N3C5H11 A2B3C5D11 -82.69 6.94 -10.02 0.44 0
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16044 458628 1 ClOSN2C12H27 ABCD2E12F27 -90.14 0.78 -8.71 0.55 0
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16045 458630 1 ClN2S2C12H29 AB2C2D12E29 -69.92 8.1 -7.61 0.56 0
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16046 458631 2 NSC7H16 ABC7D16 -38.69 3.08 -8.56 -0.76 0
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16047 458636 1 OC3N3H9 AB3C3D9 -48.91 2.37 -9.58 1.11 0
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16048 458640 1 BrNO4C10H20 ABC4D10E20 -183.79 11.13 -8.8 -0.54 0
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16049 458650 1 BrNO2C26H40 ABC2D26E40 -83.41 16.15 -7.99 -0.08 0
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16050 458651 1 NO2C26H40 AB2C26D40 -42.61 1.6 0.0 0.0 1
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16051 458717 2 OH7C8 AB7C8 -16.03 1.97 -9.53 0.01 0
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16052 458720 1 NO3C15H15 AB3C15D15 -104.43 3.23 -8.5 -0.38 0
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16053 458796 1 ClN2C11H17 AB2C11D17 -23.79 1.79 -7.82 0.34 0
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16054 458823 1 ON2C11H16 AB2C11D16 -32.92 0.9 -7.4 0.58 0
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16055 458827 1 N2O3C14H14 A2B3C14D14 -73.67 5.2 -8.23 -0.32 0
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16056 458834 2 NO2C9H9 AB2C9D9 -118.42 0.55 -8.6 -1.52 0
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16057 458835 2 NO2C19H21 AB2C19D21 -101.92 3.79 -7.83 -1.44 0
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16058 458855 1 N2O2C9H12 A2B2C9D12 -72.17 2.56 -8.59 -0.4 0
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16059 458856 1 N2O2H12C13 A2B2C12D13 -44.16 7.61 -8.43 -0.31 0
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16060 458857 2 NO2C8H8 AB2C8D8 -138.35 6.61 -8.58 -0.77 0
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16061 458865 1 ON2H10C12 AB2C10D12 19.99 2.28 -8.11 -0.61 0
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16062 458873 1 SCl2N2O4H18C19 AB2C2D4E18F19 -159.67 6.57 -8.72 -0.48 0
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16063 458874 1 ClSN2O3C10H17 ABC2D3E10F17 -143.22 2.78 -8.0 -0.02 0
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16064 458875 1 SN2O3C10H16 AB2C3D10E16 -109.83 5.4 -8.42 0.07 0
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16065 458974 1 ClNSO4H8C12 ABCD4E8F12 -37.23 4.2 -10.47 -1.97 0
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16066 458978 1 O2N3H17C23 A2B3C17D23 126.02 8.69 -10.02 -1.54 0
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16067 459000 1 N2O5C13H16 A2B5C13D16 -136.91 9.57 -9.96 -1.38 0
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16068 459005 1 N2O4H10C13 A2B4C10D13 -42.08 5.86 -9.39 -2.01 0
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16069 459008 1 N2O5H10C14 A2B5C10D14 -77.23 2.54 -9.86 -2.11 0
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16070 459014 1 N2Na2S2O9H10C17 A2B2C2D9E10F17 -349.64 9.13 -9.88 -2.28 0
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16071 459069 1 SO4N5H25C33 AB4C5D25E33 49.77 8.58 -8.43 -1.29 0
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16072 459075 1 KNO3H4C6 ABC3D4E6 -127.35 7.5 -8.74 0.18 0
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16073 459096 1 O2N3C12H13 A2B3C12D13 -58.94 5.22 -8.82 -0.31 0
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16074 459097 1 NO2H9C13 AB2C9D13 -9.78 1.24 -8.74 -0.9 0
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16075 459104 1 N2O2H10C13 A2B2C10D13 0.83 2.36 -8.39 -0.53 0
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16076 459134 1 OSN3H7C9 ABC3D7E9 30.88 5.55 -10.06 -1.24 0
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16077 459146 1 N3O4H5C8 A3B4C5D8 0.67 6.04 -9.69 -3.04 0
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16078 459153 1 ClO2N5C7H12 AB2C5D7E12 -50.49 3.39 -9.84 -0.62 0
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16079 459195 1 AsON3H10C11 ABC3D10E11 133.32 2.9 -8.32 -1.12 0
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16080 459197 1 AsO2N4H9C10 AB2C4D9E10 90.4 2.89 -8.67 -1.43 0