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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161279 57391237 1 O8H18C19 A8B18C19 -224.19 7.32 -8.47 -1.25 0
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161280 57391238 1 NO7C20H21 AB7C20D21 -179.89 3.44 -7.79 -0.99 0
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161281 57391241 1 SN2O6H24C25 AB2C6D24E25 -162.79 6.74 -8.83 -0.82 0
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161282 57391244 1 ClSN2O4H19C23 ABC2D4E19F23 -86.43 8.16 -9.2 -0.91 0
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161283 57391247 1 N3O5C22H29 A3B5C22D29 -153.54 8.64 -8.52 -1.64 0
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161284 57391250 1 FO6N7C30H44 AB6C7D30E44 -332.49 6.36 -9.14 -1.39 0
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161285 57391252 1 FO4N5C19H20 AB4C5D19E20 -149.84 6.2 -8.66 -1.02 0
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161286 57391255 1 BrOSN4H15C17 ABCD4E15F17 83.29 9.53 -8.65 -0.89 0
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161287 57391259 1 O3C20H28 A3B20C28 -74.18 3.49 -8.31 -0.32 0
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161288 57391267 2 NO6C18H20 AB6C18D20 -462.75 7.0 -8.77 -1.56 0
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161289 57391269 1 NaN11I12O17C53H58 AB11C12D17E53F58 -525.37 3.64 -7.07 -2.16 0
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161290 57391273 1 SN2F3O3H13C16 AB2C3D3E13F16 -204.83 4.84 -9.22 -1.15 0
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161291 57391274 1 SN3O4C19H21 AB3C4D19E21 -82.63 7.55 -8.3 -0.78 0
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161292 57391275 1 FSN3O4C21H24 ABC3D4E21F24 -141.23 5.73 -8.46 -0.99 0
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161293 57391276 1 SCl2F3N5O7C35H44 AB2C3D5E7F35G44 -334.16 67.37 -7.1 -2.9 0
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161294 57391278 1 SCl2F3N5O7C39H52 AB2C3D5E7F39G52 -404.77 30.55 -8.57 -1.38 0
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161295 57391281 1 BrSO3N4C22H23 ABC3D4E22F23 -40.06 4.81 -8.93 -1.1 0
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161296 57391282 1 BrSO3N5C21H22 ABC3D5E21F22 -25.36 4.79 -8.84 -1.25 0
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161301 57391293 1 O2N4C29H32 A2B4C29D32 2.22 4.4 -8.76 -0.9 0
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161302 57391294 1 FO2N4C23H27 AB2C4D23E27 -71.51 6.48 -8.82 -1.01 0
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161304 57391300 1 ClO3N4H13C16 AB3C4D13E16 -16.26 2.15 -9.39 -1.27 0
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161305 57391305 1 ClSO2N4C28H33 ABC2D4E28F33 -16.35 0.72 -8.64 -0.46 0
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161306 57391306 1 ClFNOSC20H23 ABCDEF20G23 -44.04 4.2 -8.49 -0.34 0
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161307 57391307 1 ClFON2C19H22 ABCD2E19F22 -50.28 3.3 -8.39 -0.11 0
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161308 57391308 1 FSN2H9C14 ABC2D9E14 47.27 3.5 -9.15 -1.23 0
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161310 57391312 1 O2N5H29C34 A2B5C29D34 108.39 6.32 -8.3 -1.34 0
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161311 57391314 1 SN2O5C14H20 AB2C5D14E20 -201.34 9.03 -9.55 -0.27 0
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161313 57391318 1 FON3H12C21 ABC3D12E21 41.41 9.64 -9.74 -1.31 0
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161314 57391319 1 ClON3H12C21 ABC3D12E21 79.25 9.72 -9.74 -1.28 0
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161315 57391320 2 ON2H11C13 AB2C11D13 45.23 10.18 -8.79 -1.35 0
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161316 57391324 1 O2N5H29C36 A2B5C29D36 130.06 4.36 -8.21 -1.45 0
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161317 57391327 1 O2N6H28C33 A2B6C28D33 123.14 2.92 -8.12 -1.73 0
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161319 57391331 3 ON2C7H8 AB2C7D8 -31.23 3.49 -8.71 -0.94 0
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161320 57391334 1 O3N7C21H23 A3B7C21D23 3.36 2.7 -8.75 -1.12 0
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161321 57391335 1 O3N7C22H25 A3B7C22D25 -0.5 2.02 -8.74 -1.13 0
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161322 57391336 1 O5N6C8H8 A5B6C8D8 80.3 3.57 -9.73 -1.83 0
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161325 57391342 1 FSCl2N3O4C27H28 ABC2D3E4F27G28 -194.04 5.51 -8.6 -1.01 0
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161327 57391349 1 N2O4C29H32 A2B4C29D32 -108.53 6.03 -8.31 -0.76 0
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161328 57391352 1 ClON4H17C20 ABC4D17E20 54.12 6.38 -9.4 -1.36 0
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161331 57391360 1 ClOF2N4H19C20 ABC2D4E19F20 -59.15 5.39 -8.88 -1.21 0
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161332 57391361 1 OF3S3N4H9C16 AB3C3D4E9F16 -56.08 5.19 -8.89 -2.32 0
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161333 57391362 1 FO2N4C17H17 AB2C4D17E17 -56.88 4.6 -8.9 -0.58 0
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161334 57391364 1 Cl2O2N4H16C17 A2B2C4D16E17 -24.64 5.13 -8.95 -0.92 0
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161335 57391369 2 NO2C13H13 AB2C13D13 -104.73 3.86 -9.67 -0.39 0
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161337 57391383 1 N2O5H38C40 A2B5C38D40 -108.05 7.67 -8.91 -0.54 0
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161339 57391385 1 ClO3N5C37H46 AB3C5D37E46 -89.75 4.4 -9.27 -0.05 0
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161341 57391387 1 Cl2O3N5C37H45 A2B3C5D37E45 -100.05 5.05 -9.27 -0.4 0
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161342 57391389 1 FSN4H17C21 ABC4D17E21 62.78 6.75 -8.48 -1.02 0
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161344 57391395 1 SO2N3H17C18 AB2C3D17E18 -3.98 11.17 -8.83 -0.67 0
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161345 57391396 1 SO2N3H17C22 AB2C3D17E22 34.7 10.93 -8.9 -0.63 0
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161346 57391401 1 ClSN4O4C27H29 ABC4D4E27F29 -84.98 4.7 -8.85 -1.07 0
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161349 57391412 1 ClN2O2C12H13 AB2C2D12E13 -76.69 5.69 -9.51 -0.24 0
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161350 57391414 1 N2S2O6C17H18 A2B2C6D17E18 -144.57 10.67 -8.96 -0.98 0
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161352 57391421 1 SN2O2C21H34 AB2C2D21E34 -82.74 2.87 -8.54 0.1 0
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161353 57391423 1 N2O3H14C20 A2B3C14D20 -17.94 2.26 -8.96 -1.96 0
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161355 57391429 1 ClS2N4O5C24H25 AB2C4D5E24F25 -124.86 5.5 -9.36 -1.4 0
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161356 57391432 1 FON2C23H31 ABC2D23E31 -106.5 2.58 -9.0 -0.12 0
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161357 57391439 1 ClN4C18H31 AB4C18D31 -17.82 1.36 -9.32 0.45 0
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161359 57391441 1 N4C19H32 A4B19C32 12.62 5.8 -9.31 0.71 0
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161360 57391444 1 ON7C18H19 AB7C18D19 48.66 2.95 -7.88 -0.6 0
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161361 57391447 1 OSN9H17C19 ABC9D17E19 124.35 4.35 -7.88 -1.46 0
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161362 57391448 1 ON7C18H21 AB7C18D21 57.25 2.4 -7.82 -0.44 0
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161364 57391458 1 SN2O5C17H20 AB2C5D17E20 -153.08 6.95 -8.47 -0.51 1
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161365 57391461 1 P3N11O17C21H31 A3B11C17D21E31 -729.27 10.82 0.0 0.0 0
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161366 57391462 1 P3N14O17C21H39 A3B14C17D21E39 -806.91 36.49 -8.53 -1.58 0
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161368 57391467 1 ClO2N3H14C17 AB2C3D14E17 7.08 6.62 -8.09 -1.31 0
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161370 57391479 1 SN2O4C15H20 AB2C4D15E20 -111.62 7.38 -9.46 -0.36 0
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161371 57391483 1 ClN2O2H13C18 AB2C2D13E18 21.03 2.85 -9.26 -1.42 0
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161373 57391486 1 SO2F3N5H12C16 AB2C3D5E12F16 -135.2 3.73 -9.14 -1.41 0
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161374 57391489 1 O3F6N8H24C28 A3B6C8D24E28 -264.56 6.02 -8.69 -1.0 0
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161375 57391492 2 ON6C9H9 AB6C9D9 156.43 1.74 -9.85 -2.14 0
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161379 57391497 1 O8N9C43H55 A8B9C43D55 -298.74 11.21 -9.35 -0.53 0
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161380 57391498 2 OC9H14 AB9C14 -112.61 4.1 -9.4 -0.01 0
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161382 57391502 1 OF3N3H28C29 AB3C3D28E29 -151.68 5.5 -8.74 -0.67 0
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161383 57391507 1 O2N10H12C13 A2B10C12D13 117.52 2.71 -9.81 -2.09 0
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161384 57391509 1 O2N10C15H16 A2B10C15D16 101.26 4.51 -9.93 -2.2 0
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161386 57391516 1 ClN2O2H19C21 AB2C2D19E21 -14.39 3.6 -9.04 -0.82 0
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161388 57391518 1 ClN3O6C26H26 AB3C6D26E26 -190.5 6.97 -9.03 -0.82 0
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161389 57391521 1 ClISN3O4C21H25 ABCD3E4F21G25 -149.62 7.12 -8.63 -1.21 0
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161390 57391522 1 FISN3O4C19H21 ABCD3E4F19G21 -133.19 2.11 -8.86 -1.38 0
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161391 57391523 1 BrClO2N4H20C26 ABC2D4E20F26 53.86 8.12 -8.25 -0.77 0
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161393 57391526 1 SiO7C40H52 AB7C40D52 -331.34 6.73 -9.06 -0.49 0
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161394 57391528 1 O5C39H44 A5B39C44 -145.78 5.24 -9.44 -0.53 0
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161396 57391532 1 O5H18C19 A5B18C19 -170.04 2.99 -8.59 -0.09 0
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161397 57391535 1 OF3N6H15C16 AB3C6D15E16 -87.42 4.47 -9.46 -0.78 0
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161399 57391542 1 FON5H16C22 ABC5D16E22 63.07 4.66 -8.6 -1.39 0
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161400 57391548 1 O7C17H24 A7B17C24 -298.68 2.56 -8.59 -0.13 0
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161401 57391552 1 ClN3O3C30H34 AB3C3D30E34 -73.95 7.76 -8.88 0.0 0
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161402 57391558 1 F2Cl3O4N5C33H36 A2B3C4D5E33F36 -200.44 5.61 -9.23 -0.42 0
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161404 57391564 1 Cl2N5O5C34H37 A2B5C5D34E37 -147.74 5.71 -8.82 -0.37 0
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161405 57391573 1 SO2N4C18H26 AB2C4D18E26 -54.63 7.16 -8.32 -0.1 0
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161406 57391574 1 N2F3C25H27 A2B3C25D27 -125.74 6.47 -8.64 -0.34 0
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161407 57391576 2 ClN2H5C6 AB2C5D6 77.46 3.8 -9.29 -1.23 0
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161408 57391579 1 Cl2N2S2O3C17H24 A2B2C2D3E17F24 -131.58 3.55 -9.51 -1.36 0
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161409 57391581 1 O2N3H21C24 A2B3C21D24 49.6 7.07 -9.57 -0.96 1
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161410 57391592 1 SN2H27C30 AB2C27D30 123.66 3.94 0.0 0.0 1
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161411 57391593 1 SN2O2H27C31 AB2C2D27E31 50.46 4.26 0.0 0.0 0
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161412 57391594 1 NO2C20H29 AB2C20D29 -94.64 2.06 -8.64 0.41 0
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161414 57391599 1 PSN17O24C69H110 ABC17D24E69F110 -1198.46 7.86 -8.94 -0.45 0
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161415 57391602 1 N2F3O3C17H19 A2B3C3D17E19 -246.02 9.78 -9.73 -1.21 0