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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225236 85752766 2 O2C13H22 A2B13C22 -261.9 3.53 -9.91 0.85 0
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225237 85752836 1 H3F7C12 A3B7C12 -267.14 2.59 -10.4 -1.46 0
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225238 85752852 1 OF5H7C13 AB5C7D13 -229.65 1.44 -10.23 -1.34 0
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225239 85752860 1 H4O5C7 A4B5C7 -115.6 1.17 -10.63 -2.16 0
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225240 85752865 1 NOC10H19 ABC10D19 -17.75 6.17 -8.93 0.82 0
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225241 85752870 1 NO3H13C21 AB3C13D21 90.16 5.14 -9.55 -1.55 0
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225242 85752877 1 FOC19H35 ABC19D35 -157.14 2.75 -9.67 0.73 0
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225243 85752880 1 O5H6C8 A5B6C8 -169.36 3.66 -10.92 -1.37 0
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225244 85752884 1 N2O3H14C19 A2B3C14D19 -2.45 9.54 -8.91 -1.15 0
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225245 85752891 1 NO3C21H23 AB3C21D23 -80.52 2.17 -8.84 -0.6 0
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225246 85752892 1 ClNO3H18C19 ABC3D18E19 -73.54 3.8 -9.0 -0.91 -1
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225247 85752900 1 NO4C15H26 AB4C15D26 -190.28 3.21 0.0 0.0 0
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225248 85752901 1 NO4C15H27 AB4C15D27 -207.42 5.15 -9.94 0.0 0
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225249 85752903 1 O5N6C23H30 A5B6C23D30 -109.8 7.54 -9.62 -1.29 0
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225250 85752909 1 NOCl2H9C13 ABC2D9E13 -1.68 4.44 -8.89 -1.16 0
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225251 85752915 1 SO2Cl3H5C12 AB2C3D5E12 -43.65 4.09 -9.86 -1.82 0
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225252 85752920 1 OCl3H7C14 AB3C7D14 -7.56 4.07 -9.37 -1.28 0
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225253 85752922 1 BrN2H13C19 AB2C13D19 100.22 4.44 -8.95 -1.1 0
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225254 85752925 1 NO5C17H25 AB5C17D25 -220.11 3.51 -9.01 -0.34 0
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225255 85752931 1 NO5C15H21 AB5C15D21 -210.29 6.57 -9.12 -0.45 0
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225256 85752935 2 O2C7H7 A2B7C7 -129.08 7.19 -8.93 -0.41 0
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225257 85752936 2 NSiO4C13H19 ABC4D13E19 -467.8 5.1 -8.02 -0.98 0
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225258 85752953 1 BrNO2H16C19 ABC2D16E19 -24.52 1.08 -9.28 -0.39 0
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225259 85752956 1 NO3H21C25 AB3C21D25 -34.58 1.62 -8.72 -0.26 0
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225260 85752958 1 NO5H25C35 AB5C25D35 -48.15 2.19 -8.44 -1.43 0
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225261 85752959 1 NO3H17C19 AB3C17D19 -70.15 4.07 -9.1 -0.13 0
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225262 85752963 1 ISSiC9H11 ABCD9E11 52.18 1.23 -8.86 -0.97 0
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225263 85752965 1 SiS2H14C15 AB2C14D15 118.29 1.42 -8.48 -0.68 0
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225264 85752994 1 ClO2H9C11 AB2C9D11 -63.75 6.0 -9.69 -1.1 0
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225265 85753010 1 O3C9H16 A3B9C16 -158.03 3.95 -10.51 0.83 0
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225266 85753014 1 ClOC14H15 ABC14D15 -36.73 6.38 -9.19 -0.13 0
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225267 85753015 1 Cl3O3C4H5 A3B3C4D5 -158.94 3.26 -11.08 -0.82 0
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225268 85753016 1 FSO4C17H29 ABC4D17E29 -255.38 3.86 -10.39 -0.75 0
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225269 85753019 1 BrH2O2C8F13 AB2C2D8E13 -723.8 4.72 -11.7 -2.09 0
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225270 85753021 1 O3N4C9H16 A3B4C9D16 -30.13 2.72 -9.85 0.2 0
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225271 85753024 1 N3O6C30H43 A3B6C30D43 -115.39 6.95 -9.27 -2.25 0
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225272 85753025 2 PO4C7H15 AB4C7D15 -514.9 4.4 -10.71 -0.05 0
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225273 85753026 1 BrO2H4C7F9 AB2C4D7E9 -533.59 3.13 -11.46 -1.71 0
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225274 85753027 1 OSiC14H20 ABC14D20 -44.19 3.98 -9.41 -0.3 0
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225275 85753028 1 NO3C7H9 AB3C7D9 -44.9 3.97 -9.89 -0.18 0
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225276 85753029 1 NC10H13 AB10C13 63.14 2.88 -7.98 -0.45 0
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225277 85753031 1 IOC8H11 ABC8D11 -34.26 5.69 -9.41 -0.75 0
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225278 85753032 1 O3H7C8F9 A3B7C8D9 -589.4 4.53 -11.24 -0.09 0
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225279 85753039 1 SiN2O3C8H18 AB2C3D8E18 -79.49 4.37 -9.84 -0.46 0
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225280 85753041 1 SiN2O3C9H20 AB2C3D9E20 -85.43 4.75 -9.8 -0.33 0
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225281 85753042 1 BrOSiC13H17 ABCD13E17 -31.14 2.83 -9.68 -0.74 0
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225282 85753048 1 O2C19H40 A2B19C40 -176.5 1.97 -9.73 2.0 0
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225283 85753050 1 OSiC15H18 ABC15D18 14.76 3.0 -9.61 -0.36 0
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225284 85753135 1 O9N10C35H60 A9B10C35D60 -428.82 10.32 -9.35 -0.35 0
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225285 85753305 1 SO10N12C36H54 AB10C12D36E54 -434.31 4.95 -8.56 -0.26 0