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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398317 135032799 1 FNO2C11H12 ABC2D11E12 -101.76 3.63 -9.21 -0.43 0
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398318 135032800 1 ClNO2C13H14 ABC2D13E14 -85.66 2.41 -10.1 -1.16 0
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398319 135032802 1 IO3H15C17 AB3C15D17 -63.16 4.76 -9.55 -1.69 0
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398320 135032815 1 OF2H18C22 AB2C18D22 -71.44 1.84 -9.51 -0.5 0
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398321 135032822 2 H16C23 A16B23 166.57 0.07 -8.54 -0.42 0
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398322 135032826 1 BrO2C12H13 AB2C12D13 -50.24 1.62 -8.38 0.0 0
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398323 135032827 1 NO3C18H19 AB3C18D19 -63.57 2.93 -7.85 -0.27 1
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398324 135032828 1 NPSO2F3H20C24 ABCD2E3F20G24 -134.31 19.93 0.0 0.0 0
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398325 135032829 1 O4C27H28 A4B27C28 -73.68 3.11 -9.29 -0.03 0
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398326 135032830 1 NOC8H10 ABC8D10 -13.09 5.8 0.0 0.0 0
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398327 135032831 4 NSiO3C11H21 ABC3D11E21 -765.33 5.42 -8.7 -0.43 0
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398328 135032832 2 N2Si3O6C28H56 A2B3C6D28E56 -877.55 10.15 -8.4 -0.35 0
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398329 135032833 2 N2Si3O6C28H56 A2B3C6D28E56 -894.67 6.03 -8.59 -0.54 -1
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398330 135032834 1 PN2O10C22H28 AB2C10D22E28 -465.99 6.55 0.0 0.0 0
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398331 135032835 1 PN2O10C22H29 AB2C10D22E29 -496.02 9.8 -9.54 -0.38 0
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398334 135032840 1 PN2O10C23H30 AB2C10D23E30 -443.63 8.34 0.0 0.0 0
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398335 135032841 1 PN2O10C23H31 AB2C10D23E31 -498.01 5.2 -8.93 -0.34 -1
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398341 135032865 1 N2O2C21H26 A2B2C21D26 -73.31 4.18 -8.9 -0.31 0
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398342 135032868 1 SN2F3O5C33H33 AB2C3D5E33F33 -298.87 4.55 -8.6 -1.26 0
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398343 135032873 1 BrNO4H12C15 ABC4D12E15 -41.47 4.09 -9.53 -1.28 0
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398344 135032875 1 FOSH9C15 ABCD9E15 -18.1 3.38 -9.19 -1.1 0
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398345 135032879 1 NSO3C19H27 ABC3D19E27 -138.09 4.77 -9.45 -0.46 0
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398346 135032880 1 ClIO2C6H10 ABC2D6E10 -109.38 1.69 -10.21 -1.54 0
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398347 135032881 1 ClNSO4H14C15 ABCD4E14F15 -47.99 4.66 -9.95 -2.05 0
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398349 135032893 1 NO2C13H17 AB2C13D17 -73.7 6.66 -8.28 0.24 0
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398350 135032919 1 O7C17H22 A7B17C22 -275.44 2.4 -9.71 0.08 0
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398351 135032920 1 NSO11C43H51 ABC11D43E51 -375.13 2.84 -9.06 -0.52 0
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398352 135032921 1 OC31H54 AB31C54 -111.84 1.29 -9.0 1.52 0
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398353 135032922 1 N2O2H16C17 A2B2C16D17 48.5 4.49 -8.6 -0.23 0
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398354 135032924 1 N2O3C18H18 A2B3C18D18 5.03 5.86 -8.76 -0.31 0
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398355 135032928 1 N2O3H14C15 A2B3C14D15 14.2 6.03 -8.82 -0.33 0
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398356 135032929 1 N2O2H18C19 A2B2C18D19 38.92 5.85 -8.76 -0.3 0
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398357 135032931 1 N2O2C13H24 A2B2C13D24 -72.41 1.75 -7.77 -0.02 0
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398358 135032944 1 N2O7C24H30 A2B7C24D30 -289.47 1.79 -9.18 -0.71 0
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398359 135032947 1 FNO2C11H12 ABC2D11E12 -104.3 4.97 -9.72 -0.56 0
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398360 135032955 1 ClN2O3H11C12 AB2C3D11E12 -126.8 3.19 -9.64 -0.79 0
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398361 135032956 1 INO2H10C11 ABC2D10E11 -23.01 1.81 -9.98 -1.91 0
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398362 135032965 2 SO2H10C11 AB2C10D11 -20.92 8.8 -9.96 -0.72 0
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398363 135032968 1 IC9H17 AB9C17 -28.53 2.84 -9.55 -0.56 1
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398364 135032973 1 FNPH20C24 ABCD20E24 59.57 12.79 0.0 0.0 0
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398365 135032976 1 O9C15H20 A9B15C20 -392.09 1.09 -9.87 0.05 0
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398366 135032981 2 O3C14H16 A3B14C16 -176.59 2.9 -9.3 -0.05 0
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398367 135032996 1 INSH6C8 ABCD6E8 60.04 2.21 -8.14 -2.69 0
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398368 135033002 1 O6C15H22 A6B15C22 -273.39 6.11 -9.76 -0.02 0
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398370 135033004 1 NO3C13H17 AB3C13D17 -108.53 5.25 -9.33 -0.3 0
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398371 135033005 1 SN2O2C13H16 AB2C2D13E16 -53.73 3.07 -9.25 -0.38 0
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398372 135033008 4 OC7H9 AB7C9 -161.29 1.24 -8.78 0.35 0
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398374 135033014 1 NC9H14 AB9C14 16.29 2.4 0.0 0.0 0
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398375 135033017 1 SN2O5H12C15 AB2C5D12E15 -49.45 4.43 -9.29 -2.04 0
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398376 135033018 1 Si2N3O10C35H57 A2B3C10D35E57 -565.45 6.11 -9.02 -0.42 0