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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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313253 126613074 1 F3N3O4C20H26 A3B3C4D20E26 -318.2 4.93 -9.73 -0.42 0
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313254 126613077 1 BrFN2O4C19H24 ABC2D4E19F24 -205.63 3.19 -9.32 -0.6 0
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313255 126613078 1 SN2F3O4H17C20 AB2C3D4E17F20 -222.09 5.17 -9.04 -0.6 0
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313256 126613081 1 N4O4C23H34 A4B4C23D34 -160.56 2.17 -8.32 0.43 0
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313257 126613083 1 SN2F3O3H19C20 AB2C3D3E19F20 -222.9 4.41 -8.91 -0.6 0
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313258 126613093 1 N3O5C20H29 A3B5C20D29 -193.76 4.23 -9.62 -0.39 0
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313259 126613105 1 SN2F3O4H19C20 AB2C3D4E19F20 -263.99 5.52 -8.97 -0.62 0
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313260 126613110 1 SN2O3C21H24 AB2C3D21E24 -69.63 2.67 -8.85 -0.44 0
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313261 126613128 1 N4O5C21H30 A4B5C21D30 -199.01 2.47 -9.49 -0.42 0
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313262 126613154 1 N3O4C24H35 A3B4C24D35 -171.25 3.9 -8.83 0.28 0
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313263 126613169 2 NO2C14H14 AB2C14D14 -75.68 4.92 -8.94 -0.31 0
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313264 126613174 1 N3O4C25H31 A3B4C25D31 -129.14 3.91 -9.38 -0.37 0
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313265 126613175 1 FN2O5C26H31 AB2C5D26E31 -218.41 6.44 -9.02 -0.13 0
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313266 126613176 1 SN2F3O3H17C20 AB2C3D3E17F20 -180.24 3.34 -9.02 -0.61 0
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313267 126613177 2 NO3C12H16 AB3C12D16 -257.26 5.06 -8.77 -0.74 0
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313268 126613179 1 N3O3C16H19 A3B3C16D19 -91.16 6.25 -8.94 0.09 0
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313269 126613191 1 N3O4C20H29 A3B4C20D29 -163.42 3.61 -9.15 -0.15 0
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313270 126613193 1 N4O5C24H34 A4B5C24D34 -199.67 3.7 -9.16 -0.14 0
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313271 126613204 1 SN2F3O3C15H23 AB2C3D3E15F23 -314.63 6.71 -9.33 -0.32 0
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313272 126613219 1 NOF2C8H9 ABC2D8E9 -124.08 3.34 -9.27 -0.12 0
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313273 126613225 1 N2O2C13H14 A2B2C13D14 5.53 0.78 -9.63 -0.53 0
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313274 126613237 2 N2O2C10H13 A2B2C10D13 -124.85 6.06 -8.78 -0.44 0
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313275 126613284 1 N3O4C21H21 A3B4C21D21 -83.07 3.49 -8.55 -0.09 0
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313276 126613316 2 NO2C13H19 AB2C13D19 -190.78 2.74 -8.78 0.2 0
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313277 126613324 1 SO4N5C20H23 AB4C5D20E23 -99.22 7.37 -8.32 -1.15 0
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313278 126613411 1 N5O8H37C43 A5B8C37D43 -71.16 8.74 -8.38 -1.72 0
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313279 126613419 1 O3H24C25 A3B24C25 -72.63 2.54 -8.66 -0.01 0
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313280 126613434 1 SN3O4C24H29 AB3C4D24E29 -69.8 8.95 -8.2 -0.78 0
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313281 126613435 1 SN4O5C31H42 AB4C5D31E42 -141.53 12.49 -8.07 -0.71 0
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313282 126613439 1 NSC10H19 ABC10D19 -24.94 0.94 -8.39 0.56 0
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313283 126613446 2 NSO3H7C10 ABC3D7E10 -147.11 10.45 -9.03 -2.07 0
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313284 126613457 1 ON2C7H16 AB2C7D16 -68.1 2.12 -9.48 2.68 0
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313285 126613459 4 OC12H20 AB12C20 -314.26 4.16 -9.4 -1.33 0
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313286 126613464 2 NC4H9 AB4C9 -13.94 3.23 -8.89 2.99 0
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313287 126613491 1 FO4N7C23H26 AB4C7D23E26 -105.64 2.6 -9.19 -1.29 0
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313288 126613605 1 ClN3C27H30 AB3C27D30 63.65 4.87 -8.71 -0.74 0
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313289 126613614 1 N2C23H30 A2B23C30 22.69 3.37 -8.55 0.37 0
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313290 126613615 1 OCl2N3H17C21 AB2C3D17E21 49.89 1.27 -9.14 -0.93 0
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313291 126613616 1 N2F3C30H41 A2B3C30D41 -164.95 2.54 -8.76 -0.11 0
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313292 126613618 1 ON2F3H23C24 AB2C3D23E24 -108.54 3.28 -8.87 -0.46 0
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313293 126613622 1 N3C25H31 A3B25C31 51.28 4.16 -8.13 -0.49 0
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313294 126613631 1 N5H19C25 A5B19C25 155.56 2.92 -8.72 -1.0 0
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313295 126613646 2 NC13H14 AB13C14 64.07 1.41 -8.65 -0.28 0
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313296 126613647 1 N3C19H19 A3B19C19 95.67 5.74 -8.52 -0.41 0
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313297 126613649 1 N3H17C19 A3B17C19 100.5 2.36 -8.48 -0.23 0
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313298 126613654 1 N3C25H27 A3B25C27 81.97 2.43 -8.62 -0.65 0
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313299 126613657 1 N3C31H41 A3B31C41 32.34 3.21 -8.59 0.05 0
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313300 126613658 1 N3C23H25 A3B23C25 72.87 2.52 -8.19 -0.18 0
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313301 126613659 2 NC13H17 AB13C17 28.69 3.73 -8.53 0.12 0
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313302 126613661 1 N3C15H25 A3B15C25 11.08 2.35 -8.56 0.21 0
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313303 126613662 1 Cl2O2N3H17C19 A2B2C3D17E19 -10.16 5.42 -8.86 -0.82 0
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313304 126613667 1 O2N3C19H19 A2B3C19D19 11.1 4.08 -8.34 -0.21 0
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313305 126613670 1 ClN3H18C21 AB3C18D21 105.94 2.12 -9.2 -0.63 0
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313306 126613672 1 O4C23H26 A4B23C26 -152.83 2.84 -8.83 -0.4 0
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313307 126613674 2 O2C11H12 A2B11C12 -151.12 2.94 -8.92 -0.56 0
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313308 126613677 1 OF3N4H17C26 AB3C4D17E26 -20.09 3.97 -9.17 -1.06 0
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313309 126613678 3 NH7C9 AB7C9 135.1 1.91 -8.19 -0.59 0
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313310 126613685 1 O10C47H72 A10B47C72 -511.35 2.88 -8.6 0.18 0
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313311 126613686 1 O2N4C13H30 A2B4C13D30 -114.48 3.9 -8.93 0.64 0
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313312 126613689 2 NO4C14H26 AB4C14D26 -278.09 2.06 -9.37 0.26 0
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313313 126613692 1 SN4O4C22H26 AB4C4D22E26 -102.8 6.53 -9.02 -1.22 0
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313314 126613705 1 SN5O5C21H25 AB5C5D21E25 -130.93 8.56 -8.76 -1.28 0
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313315 126613722 1 ClSO4N5C28H28 ABC4D5E28F28 -35.53 6.14 -8.75 -1.27 0
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313316 126613724 1 SN4O6C22H26 AB4C6D22E26 -195.86 5.72 -8.6 -0.99 0
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313317 126613726 1 O5C27H38 A5B27C38 -200.15 2.79 -8.75 -0.12 0
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313318 126613729 1 NC29H59 AB29C59 -110.18 1.88 -9.18 3.46 0
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313319 126613752 1 N2C19H38 A2B19C38 -56.92 3.69 -8.17 1.42 0
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313320 126613768 1 N3O4F6C25H25 A3B4C6D25E25 -421.87 7.74 -9.47 -1.51 0
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313321 126613808 1 PO3C13H21 AB3C13D21 -177.42 1.74 -9.22 0.1 0
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313322 126613811 2 O2C11H17 A2B11C17 -186.46 5.32 -8.11 0.04 0
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313323 126613815 1 N2O3C19H30 A2B3C19D30 -158.65 2.75 -9.18 0.29 0
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313324 126613837 1 INOF2H6C10 ABCD2E6F10 -67.72 2.17 -9.34 -1.24 0
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313325 126613849 1 ClION2H6C9 ABCD2E6F9 26.69 1.94 -9.34 -1.6 0
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313326 126613854 1 FNO2H8C10 ABC2D8E10 -58.92 3.23 -9.21 -1.08 1
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313327 126613865 1 PO5C11H12 AB5C11D12 -179.77 2.3 0.0 0.0 0