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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167304 74807143 1 OSF2N3C25H26 ABC2D3E25F26 -42.66 4.54 0.0 0.0 1
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167305 74807205 1 SN5O5C21H34 AB5C5D21E34 -131.34 7.74 0.0 0.0 0
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167306 74807257 1 N3O5C29H31 A3B5C29D31 -120.21 5.28 -8.88 -0.59 0
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167307 74807451 1 FO4N5C27H30 AB4C5D27E30 -95.25 6.96 -8.88 -0.62 0
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167308 74807452 1 SO2N3C26H29 AB2C3D26E29 15.06 2.67 -8.91 -0.89 0
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167309 74807453 1 FSO2N4C19H23 ABC2D4E19F23 -62.19 6.09 -8.66 -1.1 1
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167310 74807454 1 N3O5C30H38 A3B5C30D38 -154.81 2.96 0.0 0.0 0
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167311 74807455 1 N3O5C30H37 A3B5C30D37 -173.81 5.11 -8.9 -0.27 1
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167312 74807456 1 FOSN5C22H27 ABCD5E22F27 27.1 2.79 0.0 0.0 0
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167313 74807457 3 NOC10H13 ABC10D13 -99.84 4.33 -9.22 -0.27 0
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167314 74807461 1 N2O4C27H34 A2B4C27D34 -125.67 0.69 -8.63 0.14 -1
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167315 74808649 1 N4O4H5C8 A4B4C5D8 -37.92 5.41 0.0 0.0 1
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167316 74809228 1 N3O3C19H22 A3B3C19D22 21.92 6.33 0.0 0.0 1
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167317 74809421 1 FON5C18H23 ABC5D18E23 32.08 5.68 0.0 0.0 3
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167318 74809423 1 O3N4C25H45 A3B4C25D45 -51.72 3.05 0.0 0.0 1
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167319 74809614 1 FN3C18H25 AB3C18D25 6.08 3.11 0.0 0.0 1
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167320 74809759 1 FN5C21H25 AB5C21D25 73.57 3.74 0.0 0.0 0
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167321 74809760 1 FN5C21H24 AB5C21D24 49.65 3.17 -8.8 -0.15 1
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167322 74809761 1 N2O3C22H33 A2B3C22D33 -87.28 2.49 0.0 0.0 1
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167323 74809762 1 O2F3N4C18H26 A2B3C4D18E26 -178.01 8.64 0.0 0.0 0
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167324 74809763 1 O2F3N4C18H25 A2B3C4D18E25 -203.95 4.22 -8.92 -0.55 1
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167325 74809933 1 ClO2N3C24H27 AB2C3D24E27 1.29 3.75 0.0 0.0 1
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167326 74810069 1 N2O2C16H31 A2B2C16D31 -110.57 3.95 0.0 0.0 1
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167327 74810070 1 N3O3C22H32 A3B3C22D32 -46.53 20.26 0.0 0.0 1
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167328 74810071 1 OSN3C20H28 ABC3D20E28 37.54 18.86 0.0 0.0 2
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167329 74810072 1 OSN5C24H33 ABC5D24E33 65.94 15.73 -6.2 -0.78 1
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167330 74810073 1 ClN2O3C24H32 AB2C3D24E32 -95.49 5.6 0.0 0.0 0
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167331 74810074 1 FON5C21H22 ABC5D21E22 26.71 2.41 -8.69 -0.18 1
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167332 74810075 1 SO3N4C21H29 AB3C4D21E29 -59.6 4.97 0.0 0.0 1
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167333 74810728 1 SN3O4C18H32 AB3C4D18E32 -161.77 2.63 0.0 0.0 1
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167334 74810729 1 S2O3N4C18H29 A2B3C4D18E29 -72.21 5.58 0.0 0.0 1
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167335 74811167 1 ON8C23H33 AB8C23D33 79.8 3.72 0.0 0.0 1
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167336 74811177 1 OSN4C21H27 ABC4D21E27 46.5 2.92 0.0 0.0 1
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167337 74811212 1 N3O3C24H34 A3B3C24D34 -53.26 4.03 0.0 0.0 1
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167338 74811339 1 SN4O4C22H33 AB4C4D22E33 -122.6 1.97 0.0 0.0 1
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167339 74811872 1 O2N4C19H23 A2B4C19D23 17.86 3.53 0.0 0.0 1
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167340 74811873 1 F2N2O3C19H27 A2B2C3D19E27 -190.31 7.06 0.0 0.0 1
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167341 74811874 1 FN5H23C26 AB5C23D26 111.59 3.54 0.0 0.0 1
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167342 74811999 1 SO2N5C24H28 AB2C5D24E28 33.3 8.91 0.0 0.0 1
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167343 74812054 1 SN3O3C22H34 AB3C3D22E34 -101.45 8.0 0.0 0.0 0
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167344 74812245 1 F2N2O3C24H26 A2B2C3D24E26 -186.48 6.89 -8.95 0.08 1
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167345 74812365 1 ON3C24H34 AB3C24D34 27.98 5.59 0.0 0.0 0
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167346 74812742 1 FON4C18H27 ABC4D18E27 -55.13 4.61 -8.76 0.02 1
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167347 74812743 1 ON3C17H28 AB3C17D28 -1.86 2.91 0.0 0.0 1
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167348 74812790 1 FO2N4C23H36 AB2C4D23E36 -91.11 9.78 0.0 0.0 0
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167349 74812791 1 FO2N4C23H35 AB2C4D23E35 -116.42 4.38 -8.58 0.14 1
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167350 74812792 1 SO2N4C22H27 AB2C4D22E27 29.62 4.61 0.0 0.0 1
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167351 74812934 1 FO2N3C24H25 AB2C3D24E25 -27.49 6.37 0.0 0.0 1
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167352 74813390 1 SO2N5H24C26 AB2C5D24E26 37.46 4.54 0.0 0.0 1
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167353 74813396 1 NSO6C23H24 ABC6D23E24 -144.4 4.19 0.0 0.0 1
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167354 74813795 1 O2N4C20H27 A2B4C20D27 -33.16 8.2 0.0 0.0 -1
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167355 74814057 1 N3O3H22C25 A3B3C22D25 44.69 32.31 0.0 0.0 0
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167356 74814278 2 NOC6H6 ABC6D6 -32.3 7.87 -9.84 -1.29 2
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167357 74814700 1 O2N3C26H39 A2B3C26D39 60.72 48.89 -2.97 -2.6 0
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167358 74815060 1 NO6C25H29 AB6C25D29 -163.76 1.95 -8.46 -0.85 1
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167359 74815127 1 FO2N4C17H18 AB2C4D17E18 -21.28 5.89 0.0 0.0 2
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167360 74815343 1 ON7C20H31 AB7C20D31 83.47 18.16 -6.84 -0.9 1
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167361 74815420 1 N3O3C23H34 A3B3C23D34 -82.53 4.2 0.0 0.0 0
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167362 74815545 1 N2O5C22H26 A2B5C22D26 -143.4 3.56 -8.66 -0.6 2
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167363 74815577 1 O2N3C24H45 A2B3C24D45 -91.88 10.28 -4.93 1.0 1
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167364 74815578 1 ON6C20H31 AB6C20D31 28.72 6.25 0.0 0.0 0
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167365 74815803 1 N5O5C13H19 A5B5C13D19 -214.86 2.12 -9.56 -0.71 1
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167366 74816096 1 FN3C13H19 AB3C13D19 4.98 1.72 0.0 0.0 0
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167367 74816286 1 OSN5C23H27 ABC5D23E27 47.08 2.85 -8.67 -0.5 0
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167368 74816812 1 O12N16C61H88 A12B16C61D88 -499.34 15.78 -9.05 -0.74 0
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167369 74816813 1 N11O17C51H75 A11B17C51D75 -765.78 3.99 -8.9 -0.17 0
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167370 74816814 1 ClFO2N6C24H24 ABC2D6E24F24 -36.78 3.29 -8.9 -0.94 0
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167371 74816815 1 ClFON6C25H26 ABCD6E25F26 -6.32 4.9 -8.65 -0.82 0
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167372 74817108 1 ClO2N6H21C23 AB2C6D21E23 97.87 4.27 -9.3 -0.99 0
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167373 74817120 1 ClN2O3C11H17 AB2C3D11E17 -96.32 3.5 -9.74 0.11 0
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167374 74817121 1 N2O3C20H24 A2B3C20D24 -56.59 3.03 -9.17 -0.53 0
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167375 74817122 1 FON7C22H26 ABC7D22E26 21.37 5.18 -8.97 -0.5 0
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167376 74817205 1 N5O8C24H37 A5B8C24D37 -363.85 5.79 -9.78 -0.37 0
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167377 74817732 1 ClNSO4C40H44 ABCD4E40F44 -106.04 6.71 -8.8 -1.01 0
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167378 74817967 1 N8O9C16H24 A8B9C16D24 -247.58 1.81 -9.93 -0.47 0
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167379 74817968 1 OC15H22 AB15C22 -33.93 1.41 -9.04 0.51 0
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167380 74817969 1 N3O16C46H73 A3B16C46D73 -666.62 8.96 -9.49 -1.78 0
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167381 74818212 1 SF2O3N7C28H29 AB2C3D7E28F29 -127.72 2.84 -8.67 -0.57 0
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167382 74818279 1 ClSO2N3C20H24 ABC2D3E20F24 -39.97 6.37 -8.89 -2.24 0
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167383 74818630 1 F2N3O3C23H29 A2B3C3D23E29 -195.13 5.48 -9.31 -0.13 0
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167384 74818652 1 F6O6N9H45C55 A6B6C9D45E55 -305.53 30.99 -8.76 -1.78 0
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167385 74818984 1 F3N3O4H20C26 A3B3C4D20E26 -166.95 9.11 -9.41 -1.66 0
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167386 74818985 1 N2F4O4H20C25 A2B4C4D20E25 -248.96 5.01 -9.2 -1.66 0
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167387 74818986 1 N2F4O5H22C26 A2B4C5D22E26 -228.09 5.13 -8.54 -1.93 0
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167388 74818987 1 NO5H23C25 AB5C23D25 -49.28 4.49 -8.24 -1.23 0
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167389 74818988 1 SN9O13C49H73 AB9C13D49E73 -603.12 9.79 -9.39 -0.07 0
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167390 74819078 1 NPO10C43H82 ABC10D43E82 -659.58 8.36 -9.73 -0.08 0
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167391 74819240 2 O6H14C15 A6B14C15 -428.15 0.81 -9.25 -1.07 0
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167392 74819241 1 O9C20H20 A9B20C20 -329.08 3.7 -9.03 -0.64 0
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167393 74819360 1 O4C25H28 A4B25C28 -128.15 6.41 -9.3 -0.16 0
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167394 74819717 1 Cl2O7N15C48H49 A2B7C15D48E49 -55.5 11.25 -8.83 -0.81 0
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167395 74819718 1 SN5O5C30H37 AB5C5D30E37 -128.36 6.77 -8.93 -0.73 0
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167396 74820164 1 FN4O4H25C26 AB4C4D25E26 -36.63 9.76 -8.34 -1.01 0
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167397 74820165 1 SO4N5C23H23 AB4C5D23E23 26.17 8.99 -8.44 -1.22 0
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167398 74820166 1 ClFN5O5H29C31 ABC5D5E29F31 -79.99 9.88 -8.33 -0.9 0
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167399 74820167 1 PF2N4O7C27H27 AB2C4D7E27F27 -285.3 3.96 -8.52 -1.2 0
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167400 74820168 1 NS2O3H19C25 AB2C3D19E25 -12.22 7.77 -9.26 -1.93 0
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167401 74820169 1 ClS2N3O3C33H34 AB2C3D3E33F34 -37.13 7.19 -8.66 -1.75 0
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167402 74820170 1 N2S3O5H26C32 A2B3C5D26E32 -72.99 3.78 -8.95 -1.54 0
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167403 74820171 1 PtN2O6C14H22 AB2C6D14E22 -90.42 6.91 -9.25 -1.94 0