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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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337193 127256758 1 NO2C10H19 AB2C10D19 -75.94 2.41 -9.98 -0.25 0
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337194 127256759 1 N2O3C13H14 A2B3C13D14 -88.76 6.94 -8.79 -0.22 0
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337195 127256760 1 N2O9C28H30 A2B9C28D30 -331.93 6.29 -9.19 -0.63 0
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337196 127256761 1 O2N3C13H21 A2B3C13D21 -20.23 6.44 -8.59 -0.73 0
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337197 127256762 1 NO3C15H31 AB3C15D31 -187.21 4.16 -9.23 1.82 0
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337198 127256763 1 NO3C14H29 AB3C14D29 -182.85 1.14 -9.17 1.84 0
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337199 127256764 1 NO3C9H19 AB3C9D19 -158.27 3.12 -9.07 1.94 0
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337200 127256765 1 NO3C15H31 AB3C15D31 -186.49 2.66 -9.08 1.92 0
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337201 127256766 1 NO5C13H17 AB5C13D17 -208.44 7.02 -9.85 -1.37 0
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337202 127256767 1 NO3C8H17 AB3C8D17 -150.33 1.02 -9.14 1.96 0
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337203 127256768 1 NO4C15H21 AB4C15D21 -162.98 3.17 -8.69 0.27 0
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337204 127256769 2 NOC9H11 ABC9D11 -47.04 4.09 -8.0 0.22 0
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337205 127256770 1 N2O3C9H20 A2B3C9D20 -153.13 1.76 -9.09 1.78 0
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337206 127256771 1 NO2C16H21 AB2C16D21 -74.54 7.18 -8.31 -0.48 0
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337207 127256772 1 NO2C18H25 AB2C18D25 -84.58 7.28 -8.31 -0.48 0
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337208 127256773 1 INO3C23H26 ABC3D23E26 -33.12 10.34 -7.26 -1.24 0
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337209 127256774 1 O5C23H28 A5B23C28 -214.09 4.35 -9.78 -0.74 0
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337210 127256775 1 ON2C19H22 AB2C19D22 23.7 2.94 -8.39 0.0 0
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337211 127256776 2 NOH7C10 ABC7D10 33.16 1.71 -8.94 -1.58 0
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337212 127256777 2 NO2C11H12 AB2C11D12 -95.6 5.96 -8.57 -1.12 0
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337213 127256778 1 N3O4H13C17 A3B4C13D17 12.35 5.33 -9.16 -1.88 0
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337214 127256779 1 N2O7C27H36 A2B7C27D36 -217.17 1.47 -10.18 -1.84 0
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337215 127256780 1 Br2S2N5O6C19H27 A2B2C5D6E19F27 -218.52 7.26 -8.66 -1.41 0
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337216 127256781 2 NO2C4H5 AB2C4D5 -134.25 4.04 -9.16 -0.51 0
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337217 127256782 1 ON2C18H20 AB2C18D20 0.65 5.1 -8.11 -0.03 0
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337218 127256783 1 O3H12C16 A3B12C16 -32.65 1.23 -8.82 -1.01 0
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337219 127256784 1 ClO2H9C15 AB2C9D15 -3.86 3.5 -9.54 -1.26 0
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337220 127256785 1 BrO2H9C15 AB2C9D15 8.14 3.94 -9.52 -1.27 0
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337221 127256786 3 OC4H4 AB4C4 -86.89 3.43 -9.46 -0.95 0
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337222 127256787 1 NSO3H15C16 ABC3D15E16 -63.73 3.64 -8.18 -0.97 0
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337223 127256788 1 NSO3C11H11 ABC3D11E11 -86.44 2.87 -8.71 -0.48 0
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337224 127256789 1 NSO3C12H13 ABC3D12E13 -97.47 3.0 -8.75 -0.54 0
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337225 127256790 1 NSO3H11C14 ABC3D11E14 -49.47 3.98 -8.51 -1.08 0
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337226 127256791 1 NSO3C11H11 ABC3D11E11 -94.17 3.17 -8.75 -0.54 0
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337227 127256792 1 NSO3C11H13 ABC3D11E13 -96.54 1.16 -8.55 -0.31 0
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337228 127256793 1 N2O4S4C19H20 A2B4C4D19E20 -88.65 6.22 -8.32 -1.59 0
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337229 127256794 1 NSO3C12H13 ABC3D12E13 -83.02 3.59 -8.32 -0.12 0
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337230 127256795 1 N2O3S3H16C17 A2B3C3D16E17 -60.21 4.64 -8.35 -1.54 0
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337231 127256796 1 NO4C12H13 AB4C12D13 -128.31 2.77 -8.98 -0.43 0
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337232 127256797 1 NSO3H13C15 ABC3D13E15 -40.26 2.82 -8.87 -1.55 0
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337233 127256798 1 ClN2O4H9C13 AB2C4D9E13 -99.3 2.43 -8.93 -1.21 0
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337234 127256799 1 NOC9H15 ABC9D15 -70.11 4.68 -9.22 1.24 0
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337235 127256800 1 ON4H14C17 AB4C14D17 98.88 11.03 -8.62 -1.43 0
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337236 127256801 1 O2N4C13H14 A2B4C13D14 25.44 9.01 -8.71 -1.34 0
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337237 127256802 2 ON2H8C9 AB2C8D9 58.33 11.79 -8.52 -1.37 0
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337238 127256803 1 OSN2C14H14 ABC2D14E14 39.15 2.78 -8.56 -0.74 0
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337239 127256804 1 NF3O3C14H14 AB3C3D14E14 -260.91 10.37 -8.99 -0.92 0
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337240 127256805 1 O2N5C23H25 A2B5C23D25 59.14 3.9 -8.29 -1.24 0
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337241 127256806 1 S2N3O3C20H21 A2B3C3D20E21 10.74 8.51 -9.08 -1.22 0
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337242 127256807 1 O3N9C29H29 A3B9C29D29 40.52 2.53 -8.01 -1.31 0
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337243 127256808 1 SO4N6C15H26 AB4C6D15E26 -49.3 7.23 -8.11 -1.43 0
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337244 127256809 1 NO4C15H19 AB4C15D19 -139.87 6.23 -8.97 -0.54 0
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337245 127256810 1 O4C13H14 A4B13C14 -122.09 4.29 -8.34 -0.32 0
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337246 127256811 1 BrNF3O4H9C16 ABC3D4E9F16 -193.25 6.39 -10.15 -1.72 0
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337247 127256812 1 ClIN2S2O4H24C25 ABC2D2E4F24G25 -118.55 10.02 -8.26 -1.61 1
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337248 127256813 1 ClN2S2O4H24C25 AB2C2D4E24F25 -111.19 1.47 0.0 0.0 0
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337249 127256814 1 F3N3O6C20H22 A3B3C6D20E22 -329.97 4.98 -8.89 -1.64 0
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337250 127256815 2 NOSC12H14 ABCD12E14 -39.35 1.5 -8.06 -0.25 0
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337251 127256816 1 IBr2O3H9C15 AB2C3D9E15 -41.65 3.59 -9.65 -1.24 0
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337252 127256817 1 Br2O3H10C15 A2B3C10D15 -58.59 4.52 -9.57 -0.91 0
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337253 127256818 1 ICl2O3H9C15 AB2C3D9E15 -64.59 3.38 -9.56 -1.25 0
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337254 127256819 1 NSO4C23H31 ABC4D23E31 -133.1 3.04 -8.55 0.11 0
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337255 127256820 1 OCl2N2H6C9 AB2C2D6E9 24.4 7.31 -8.67 -1.6 0
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337256 127256821 1 NO6C16H19 AB6C16D19 -148.88 3.86 -8.87 -1.4 0
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337257 127256822 1 NO6C15H17 AB6C15D17 -139.94 3.39 -8.9 -1.39 0
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337258 127256823 1 IN2O2C16H31 AB2C2D16E31 -111.63 2.76 -8.24 -0.83 0
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337259 127256941 1 O3H16C17 A3B16C17 -63.47 3.3 -9.45 -0.8 0
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337260 127256942 1 OSF3N3H8C11 ABC3D3E8F11 -110.01 4.09 -9.58 -1.68 0
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337261 127256943 1 BrNO2C13H18 ABC2D13E18 -95.5 2.67 -9.02 -0.65 0
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337262 127256944 1 NO4C14H19 AB4C14D19 -101.39 5.21 -10.4 -1.59 0
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337263 127256945 2 OC7H10 AB7C10 -98.53 2.94 -9.63 -0.4 0
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337264 127256946 1 NO4C15H21 AB4C15D21 -109.23 4.39 -10.06 -1.38 0
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337265 127256947 1 NO3C13H17 AB3C13D17 -64.36 4.78 -9.02 -0.09 0
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337266 127256948 1 N2O3C8H14 A2B3C8D14 -132.96 6.95 -9.01 -0.09 0
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337267 127256949 1 NH33C46 AB33C46 165.41 1.47 -7.82 -1.2 0