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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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219339 85098822 1 P3N10O18C22H32 A3B10C18D22E32 -774.17 19.77 0.0 0.0 0
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219340 85098826 1 Cl2N5O5H45C46 A2B5C5D45E46 -91.7 5.75 -9.01 -0.75 0
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219341 85098829 1 N3O10C46H65 A3B10C46D65 -402.42 4.67 -8.95 -0.17 0
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219342 85098833 1 NiN4O4H42C50 AB4C4D42E50 157.19 5.57 -7.47 -0.63 0
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219343 85098835 4 N2O2C11H14 A2B2C11D14 -320.37 4.34 -8.73 -0.36 0
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219344 85098836 1 O9N10C40H60 A9B10C40D60 -383.37 6.4 -9.03 -0.34 0
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219345 85098853 1 ClPSN3O11H33C40 ABCD3E11F33G40 -199.54 21.73 -8.3 -1.78 1
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219346 85098854 1 PSN3O11H33C40 ABC3D11E33F40 -222.85 11.61 0.0 0.0 0
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219347 85145944 2 NO3C7H9 AB3C7D9 -245.85 2.62 -8.94 -1.0 0
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219348 85146933 1 SN3O3C19H27 AB3C3D19E27 -43.65 4.43 -8.99 -2.11 0
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219349 85146934 1 NO4C22H35 AB4C22D35 -217.02 6.09 -9.85 -0.31 0
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219350 85146937 1 BF2O3N4C17H21 AB2C3D4E17F21 -301.67 8.88 -8.46 -1.76 0
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219351 85146938 1 BrNO4H16C17 ABC4D16E17 -143.51 4.16 -9.37 -0.98 0
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219352 85146941 1 ClFN4O4H12C16 ABC4D4E12F16 -106.7 5.75 -10.11 -1.48 0
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219353 85147153 1 N3O5H19C21 A3B5C19D21 -105.28 7.47 -9.41 -1.99 0
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219354 85147155 1 N3O4C22H23 A3B4C22D23 -41.0 7.59 -9.45 -0.4 1
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219355 85147156 1 O3N5C21H22 A3B5C21D22 -10.71 1.18 0.0 0.0 0
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219356 85147159 1 NSO5C20H27 ABC5D20E27 -193.54 5.18 -8.59 -0.8 0
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219357 85147162 1 ClON5H20C21 ABC5D20E21 63.88 3.8 -9.08 -1.32 0
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219358 85147163 1 ClNO4C21H28 ABC4D21E28 -190.01 7.11 -9.52 -0.26 0
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219360 85147165 1 FSN2O6C17H17 ABC2D6E17F17 -266.37 5.66 -9.39 -0.89 0
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219361 85147166 1 PO5C21H31 AB5C21D31 -277.35 2.64 -8.49 0.09 0
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219362 85147167 1 SN4O5C17H22 AB4C5D17E22 -159.79 3.25 -9.13 -0.71 0
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219363 85147453 1 O3N8C19H28 A3B8C19D28 -15.81 12.49 -8.5 -1.1 0
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219364 85147454 1 SF3O3C21H23 AB3C3D21E23 -241.65 4.18 -8.35 -0.48 0