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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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64351 29199244 1 O2S2N4C21H29 A2B2C4D21E29 15.7 9.04 0.0 0.0 1
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64352 29199250 1 ClO2S2N4C19H24 AB2C2D4E19F24 26.98 4.57 0.0 0.0 0
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64353 29199253 1 SN3O3C20H23 AB3C3D20E23 -55.23 12.16 -9.12 -0.89 1
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64354 29199258 1 SF2O2N4C21H25 AB2C2D4E21F25 -77.74 2.5 0.0 0.0 0
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64355 29199264 1 SO3N4C24H32 AB3C4D24E32 -66.28 5.96 -8.12 -0.28 0
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64356 29199268 1 N2O3C22H26 A2B3C22D26 -77.04 2.32 -8.86 -0.59 0
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64357 29199273 1 SN4O4C23H30 AB4C4D23E30 -92.05 8.61 -8.52 -0.28 0
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64358 29199299 1 OCl2N3H17C19 AB2C3D17E19 30.61 3.14 -8.92 -0.47 1
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64359 29199305 1 SO2N4C21H33 AB2C4D21E33 -28.49 5.7 0.0 0.0 0
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64360 29199312 1 SO2N4C25H28 AB2C4D25E28 15.56 6.44 -8.41 -0.96 1
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64361 29199314 1 SO2N4C25H29 AB2C4D25E29 36.12 5.43 0.0 0.0 1
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64362 29199323 1 FSO2N4C22H28 ABC2D4E22F28 -40.91 5.55 0.0 0.0 0
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64363 29199328 1 ClFON3H15C18 ABCD3E15F18 0.38 3.86 -8.82 -0.91 0
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64364 29199336 1 FSO2N4C22H27 ABC2D4E22F27 -60.42 7.74 -8.58 -0.62 0
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64365 29199342 1 SO2N4C24H32 AB2C4D24E32 -28.71 5.37 -8.16 -0.37 0
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64366 29199346 1 SO2N4C24H32 AB2C4D24E32 -22.9 7.53 -8.54 -0.42 0
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64367 29199350 1 OF3N3C19H20 AB3C3D19E20 -155.56 6.45 -8.98 -0.5 1
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64368 29199351 1 SO3N4C24H33 AB3C4D24E33 -34.53 1.73 0.0 0.0 1
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64369 29199361 1 SO3N4C24H33 AB3C4D24E33 -34.94 4.28 0.0 0.0 1
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64370 29199364 1 SO3N4C24H33 AB3C4D24E33 -11.83 15.16 0.0 0.0 0
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64371 29199365 1 SO3N4C24H32 AB3C4D24E32 -63.25 7.72 -8.33 -0.33 0
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64372 29199366 1 SO2N3H19C21 AB2C3D19E21 15.03 7.75 -8.72 -0.59 0
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64373 29199372 1 OSN3C20H21 ABC3D20E21 38.62 2.96 -8.58 -0.46 1
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64374 29199378 1 SO3N5C25H34 AB3C5D25E34 -40.66 7.56 0.0 0.0 0
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64375 29199379 1 SO3N5C25H33 AB3C5D25E33 -69.62 6.25 -8.2 -0.55 0
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64376 29199388 1 ClSN2O4C16H17 ABC2D4E16F17 -78.44 6.99 -9.08 -1.2 0
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64377 29199391 1 SO3N5C24H31 AB3C5D24E31 -70.28 7.83 -8.48 -0.54 1
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64378 29199394 1 SO3N5C24H32 AB3C5D24E32 -46.99 8.47 0.0 0.0 0
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64379 29199396 1 BrSN2O4C16H17 ABC2D4E16F17 -71.97 7.12 -8.88 -1.33 0
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64380 29199402 1 SO3N5C25H33 AB3C5D25E33 -72.98 6.68 -8.43 -0.43 0
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64381 29199404 1 SO3N5C25H33 AB3C5D25E33 -70.74 5.98 -8.44 -0.57 0
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64382 29199424 1 O2N3H17C18 A2B3C17D18 29.16 4.54 -9.05 -0.76 1
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64383 29199426 1 ClSO2N4C22H28 ABC2D4E22F28 2.73 3.35 0.0 0.0 1
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64384 29199431 1 ClSO3N4C22H28 ABC3D4E22F28 -32.81 5.56 0.0 0.0 0
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64385 29199437 1 ClSO3N4C22H27 ABC3D4E22F27 -49.96 8.81 -8.57 -0.52 0
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64386 29199441 1 ClSO3N4C22H27 ABC3D4E22F27 -56.13 4.49 -8.42 -0.71 1
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64387 29199442 1 ClSO3N4C22H28 ABC3D4E22F28 -29.01 3.47 0.0 0.0 1
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64388 29199444 1 SO3N4C24H33 AB3C4D24E33 -37.79 6.31 0.0 0.0 0
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64389 29199446 1 FNOSH12C16 ABCDE12F16 -19.61 4.67 -8.96 -1.06 0
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64390 29199452 1 N3O3C17H19 A3B3C17D19 -9.68 12.91 -8.88 -0.73 1
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64391 29199453 1 SO3N4C25H35 AB3C4D25E35 -39.66 9.26 0.0 0.0 0
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64392 29199454 1 SO3N4C25H34 AB3C4D25E34 -64.67 5.14 -8.48 -0.29 0
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64393 29199455 1 ON3H17C18 AB3C17D18 50.8 4.35 -9.09 -0.76 0
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64394 29199479 1 SO3N4C24H32 AB3C4D24E32 -57.88 7.48 -8.26 -0.45 1
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64395 29199485 1 SO2N4C27H31 AB2C4D27E31 44.67 8.15 0.0 0.0 0
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64396 29199487 1 SN3O3C17H17 AB3C3D17E17 -28.04 7.73 -9.29 -1.11 0
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64397 29199504 1 ClN2S2O5C18H21 AB2C2D5E18F21 -176.21 2.48 -8.81 -1.04 1
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64398 29199505 1 SO2N4C23H31 AB2C4D23E31 2.96 5.68 0.0 0.0 0
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64399 29199506 1 SO2N4C23H30 AB2C4D23E30 -21.07 1.93 -8.22 -0.04 1
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64400 29199530 1 FSO2N4C22H28 ABC2D4E22F28 -24.89 10.11 0.0 0.0 0
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64401 29199532 2 NOC9H9 ABC9D9 -35.74 6.81 -8.82 -0.22 0
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64402 29199534 1 FSO2N4C22H27 ABC2D4E22F27 -60.77 3.37 -8.38 -0.12 0
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64403 29199568 2 NOSC5H8 ABCD5E8 -62.39 2.58 -8.63 -0.53 0
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64404 29199672 1 SN3O6C24H27 AB3C6D24E27 -149.12 5.29 -8.2 -0.92 0
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64405 29199771 1 ClSN3O4C24H26 ABC3D4E24F26 -101.57 1.69 -8.63 -1.08 0
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64406 29199837 1 SO2N3C25H29 AB2C3D25E29 -52.9 3.04 -9.17 -0.94 0
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64407 29200067 1 N4O6C25H26 A4B6C25D26 -171.44 5.38 -8.71 -1.56 0
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64408 29200142 1 SN3O4C19H25 AB3C4D19E25 -175.07 4.79 -8.73 -0.8 0
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64409 29200145 1 ClN2S2O5H21C22 AB2C2D5E21F22 -153.77 6.16 -8.75 -1.62 0
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64410 29200167 1 SN3O3H19C20 AB3C3D19E20 -32.84 7.9 -8.91 -1.03 0
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64411 29200186 3 NOC6H7 ABC6D7 -34.01 7.18 -8.66 -0.92 0
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64412 29200209 1 ClFN4O4C20H20 ABC4D4E20F20 -91.42 3.49 -9.32 -1.96 0
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64413 29200211 1 ClFN4O4C20H20 ABC4D4E20F20 -89.07 4.69 -9.33 -1.81 0
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64414 29200212 1 FN2O4C15H17 AB2C4D15E17 -137.48 5.06 -9.28 -0.53 0
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64415 29200214 1 Br2N4O5H10C16 A2B4C5D10E16 -34.95 9.64 -9.77 -1.8 -1
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64416 29200222 1 FSN3O4H11C15 ABC3D4E11F15 -63.06 6.12 0.0 0.0 0
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64417 29200225 1 FO2N3C18H20 AB2C3D18E20 -103.9 5.0 -8.94 -0.57 0
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64418 29200237 1 FN3O4C23H24 AB3C4D23E24 -130.76 4.01 -9.0 -0.69 0
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64419 29200238 1 BrFSN2O4C18H18 ABCD2E4F18G18 -188.77 5.86 -9.3 -0.81 0
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64420 29200287 1 F2O2N3C21H23 A2B2C3D21E23 -135.33 3.34 -9.1 -0.55 0
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64421 29200295 1 ClSN2O5C20H23 ABC2D5E20F23 -190.97 2.8 -8.3 -0.71 0
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64422 29200399 1 F2O3N4C24H26 A2B3C4D24E26 -173.53 4.54 -9.04 -0.64 0
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64423 29200404 1 N3O3C28H29 A3B3C28D29 -59.34 5.49 -9.3 -0.31 0
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64424 29200407 1 SN4O5H16C18 AB4C5D16E18 -45.52 10.78 -9.33 -1.56 0
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64425 29200436 1 FO2N3C23H28 AB2C3D23E28 -111.16 0.94 -8.8 -0.59 0
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64426 29200458 1 SN3O7C19H21 AB3C7D19E21 -171.57 7.13 -9.58 -1.42 0
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64427 29200462 1 ClN2O2S3H11C12 AB2C2D3E11F12 -10.03 2.91 -8.77 -1.42 0
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64428 29200502 1 O2N3C17H19 A2B3C17D19 -41.2 6.49 -9.41 -0.31 0
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64429 29200537 1 FNOSH14C17 ABCDE14F17 -21.47 4.95 -8.95 -1.09 0
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64430 29200556 1 N2S2O3H16C17 A2B2C3D16E17 -67.88 3.03 -8.83 -1.17 0
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64431 29200562 1 N2O2S3H12C14 A2B2C3D12E14 -11.88 4.56 -8.63 -1.08 0
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64432 29200564 1 O3N4C25H30 A3B4C25D30 -87.23 3.91 -8.79 0.0 0
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64433 29200596 1 O3N4C28H36 A3B4C28D36 -100.76 10.87 -8.68 -0.1 0
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64434 29200612 1 N2O5C17H20 A2B5C17D20 -92.87 3.2 -9.22 -1.7 0
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64435 29200614 1 N2O5C17H20 A2B5C17D20 -95.41 3.71 -9.26 -1.7 0
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64436 29200637 1 SN2O3C18H26 AB2C3D18E26 -131.63 8.32 -8.69 -0.14 0
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64437 29200639 1 N4O5C26H32 A4B5C26D32 -153.56 4.75 -8.63 -0.14 0
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64438 29200643 1 SO2N4C18H18 AB2C4D18E18 19.42 5.33 -8.94 -0.86 0
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64439 29200644 1 N2O3C19H22 A2B3C19D22 -85.02 6.36 -9.09 -0.86 0
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64440 29200645 1 N4O5C26H32 A4B5C26D32 -147.52 9.84 -8.64 -0.35 0
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64441 29200648 1 N4O5C26H32 A4B5C26D32 -161.21 6.91 -8.68 -0.31 0
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64442 29200649 1 O2N3C19H29 A2B3C19D29 -104.82 2.06 -9.26 -0.17 0
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64443 29200655 1 N4O5C25H28 A4B5C25D28 -141.98 2.38 -8.86 -0.55 0
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64444 29200656 1 NO4C17H23 AB4C17D23 -148.69 4.5 -8.66 -0.11 0
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64445 29200658 1 ClNO3C19H24 ABC3D19E24 -110.41 2.67 -8.97 -0.58 0
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64446 29200659 1 N4O5C28H36 A4B5C28D36 -169.09 4.98 -8.54 -0.14 0
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64447 29200660 1 FOSN5H22C24 ABCD5E22F24 44.62 6.69 -8.77 -0.98 0
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64448 29200661 1 ClNO3C19H24 ABC3D19E24 -112.19 7.23 -8.96 -0.59 0
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64449 29200662 1 N4O6C27H34 A4B6C27D34 -184.45 5.27 -8.59 -0.28 0
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64450 29200663 1 SN2O3C17H24 AB2C3D17E24 -121.46 2.86 -8.72 -0.15 0