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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25396 624099 1 ON2C19H20 AB2C19D20 13.81 3.49 -9.22 -0.68 0
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25397 624100 1 PC20H21 AB20C21 51.19 2.23 -8.47 0.37 1
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25398 624118 1 O2N4H15C17 A2B4C15D17 45.86 8.05 0.0 0.0 0
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25399 624119 1 OCl2N4H10C14 AB2C4D10E14 6.29 3.34 -9.09 -1.43 0
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25400 624123 1 IN2O7H9C12 AB2C7D9E12 -140.1 5.51 -9.78 -1.8 0
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25401 624314 1 ON3C17H17 AB3C17D17 37.52 0.66 -8.61 -1.36 0
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25402 624316 1 NOSH13C17 ABCD13E17 62.28 6.12 -8.83 -1.3 0
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25403 624317 1 O2N3H13C16 A2B3C13D16 81.21 6.12 -9.46 -1.59 0
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25404 624318 1 O2N3H13C16 A2B3C13D16 63.33 7.46 -8.82 -1.19 0
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25405 624319 1 O2N3H13C16 A2B3C13D16 73.08 6.43 -8.71 -1.19 0
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25406 624360 1 BrNO3H6C11 ABC3D6E11 -45.75 2.1 -9.57 -1.67 0
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25407 624406 1 ON3F6H9C14 AB3C6D9E14 -257.3 9.55 -9.4 -1.45 0
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25408 624407 1 O3N4H14C17 A3B4C14D17 17.67 5.91 -8.91 -1.21 0
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25409 624410 1 N2O2H16C17 A2B2C16D17 3.01 8.68 -8.71 -0.89 0
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25410 624411 1 NOC20H27 ABC20D27 -26.66 1.41 -8.98 0.48 0
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25411 624413 1 BOSC16H29 ABCD16E29 -146.84 2.29 -8.88 0.46 0
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25412 624435 1 O3H16C18 A3B16C18 -55.85 4.15 -7.92 -1.16 0
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25413 624437 1 NO3F10H11C15 AB3C10D11E15 -608.35 4.61 -9.7 -0.93 -10
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25414 624439 1 FeOC16H16 ABC16D16 30.78 3.36 -8.93 0.22 0
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25415 624442 1 SiO4C14H20 AB4C14D20 -184.26 6.45 -8.61 -0.85 0
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25416 624462 1 N2O2H16C17 A2B2C16D17 -22.74 6.74 -8.95 -0.94 0
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25417 624480 4 NH4C7 AB4C7 246.54 6.7 -9.71 -0.65 0
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25418 624487 1 OSN2H12C16 ABC2D12E16 8.79 3.16 -8.42 -1.15 0
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25419 624533 1 O2N3H15C16 A2B3C15D16 32.53 5.03 -8.61 -0.87 0
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25420 624534 1 O2C39H80 A2B39C80 -260.46 2.36 -9.6 2.18 0
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25421 624580 1 O5C20H24 A5B20C24 -187.77 4.01 -10.12 -0.12 0
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25422 624582 1 NO2C18H19 AB2C18D19 -53.91 1.5 -8.82 -0.64 0
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25423 624655 1 Si4O5C12H32 A4B5C12D32 -569.59 2.72 -9.55 0.78 0
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25424 624672 1 O2C29H46 A2B29C46 -161.91 2.33 -8.88 0.89 0
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25425 624709 1 O5H10C16 A5B10C16 -120.29 3.11 -8.93 -1.56 0
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25426 624726 1 O2C19H22 A2B19C22 -79.86 4.17 -8.66 -0.21 0
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25427 624925 1 BrN2O2C17H21 AB2C2D17E21 -60.77 4.32 -9.38 -0.67 0
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25428 624951 2 ClC4F4 AB4C4 -378.71 1.39 -11.28 -2.21 0
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25429 624952 1 BrOH11C16 ABC11D16 16.32 3.03 -9.14 -1.11 0
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25430 624953 1 SN2O3C25H30 AB2C3D25E30 -111.43 3.03 -8.78 -0.63 0
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25431 624954 1 O2H14C21 A2B14C21 6.07 1.63 -9.11 -1.58 0
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25432 624955 2 NSiC8H11 ABC8D11 -51.59 0.02 -8.01 0.47 0
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25433 624959 1 SiH18C21 AB18C21 157.09 0.98 -8.84 -0.74 0
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25434 624966 1 O3H14C21 A3B14C21 -25.12 3.0 -8.88 -1.59 0
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25435 624967 1 OCl2N2H12C16 AB2C2D12E16 27.55 1.24 -9.02 -0.79 0
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25436 625006 1 FSN2H13C16 ABC2D13E16 37.87 3.49 -8.28 -0.63 0
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25437 625011 1 OCl2S2N3H7C10 AB2C2D3E7F10 35.06 1.86 -9.17 -1.59 0
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25438 625012 1 NSiO2C22H23 ABC2D22E23 -67.07 2.11 -8.46 -0.06 0
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25439 625029 1 ClFSN3H11C15 ABCD3E11F15 43.43 2.47 -8.64 -0.82 -4
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25440 625083 1 NiP2C22H38 AB2C22D38 -19.53 7.28 -5.79 -0.09 0
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25441 625091 1 OC21H34 AB21C34 -83.95 2.83 -8.98 1.44 0
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25442 625119 1 O5H12C16 A5B12C16 -129.18 1.05 -8.59 -1.18 0
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25443 625160 1 NO4C19H21 AB4C19D21 -100.95 7.3 -8.72 -0.49 0
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25444 625186 1 SiO2C19H40 AB2C19D40 -218.96 2.83 -9.24 0.72 0
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25445 625190 1 OC22H22 AB22C22 34.26 4.11 -8.03 -0.86 0
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25446 625191 1 NO3C17H19 AB3C17D19 -86.01 4.84 -8.52 -0.23 0
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25447 625192 2 O3H6C8 A3B6C8 -155.84 4.72 -8.27 -1.68 0
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25448 625193 1 OB2S2C25H36 AB2C2D25E36 189.08 7.85 -7.29 -1.66 0
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25449 625194 1 O2N3S3H7C9 A2B3C3D7E9 86.45 6.27 -9.04 -1.7 0
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25450 625215 1 Cl2N2O3H16C17 A2B2C3D16E17 -24.27 2.99 -9.47 -0.92 0
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25451 625219 1 ClON3H12C15 ABC3D12E15 45.64 2.59 -9.4 -0.86 0
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25452 625244 1 NOC19H27 ABC19D27 65.0 0.56 -8.2 0.6 0
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25453 625277 1 ClO3H11C16 AB3C11D16 -49.35 3.42 -9.28 -1.27 0
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25454 625312 1 O4C21H30 A4B21C30 -205.61 3.89 -9.69 0.02 0
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25455 625318 1 NC27H39 AB27C39 -22.26 1.56 -8.85 0.4 0
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25456 625325 1 O3C19H28 A3B19C28 -172.17 2.88 -9.85 0.58 0
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25457 625329 1 N2O3C16H18 A2B3C16D18 -48.91 2.06 -8.54 -0.67 0
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25458 625376 1 OH18C21 AB18C21 45.31 1.55 -8.66 0.24 0
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25459 625388 1 NOC26H27 ABC26D27 13.34 0.96 -8.49 0.2 0
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25460 625389 1 O2H20C21 A2B20C21 -21.99 2.57 -9.32 0.01 0
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25461 625390 1 OSN2C16H18 ABC2D16E18 -6.87 6.1 -9.08 -0.65 0
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25462 625391 1 S3H10C15 A3B10C15 101.52 4.3 -8.6 -1.33 0
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25463 625392 1 SiO3C16H18 AB3C16D18 -170.98 3.65 -8.29 -0.03 0
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25464 625393 2 O2C10H13 A2B10C13 -182.4 5.13 -8.76 -0.5 0
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25465 625394 1 O3C20H28 A3B20C28 -146.38 2.67 -8.67 0.1 0
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25466 625395 1 OSN2C16H18 ABC2D16E18 53.7 5.89 -8.97 -1.39 0
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25467 625396 1 SN4C15H18 AB4C15D18 110.39 11.9 -8.24 -1.07 0
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25468 625397 1 NO3C22H29 AB3C22D29 -99.59 8.57 -8.38 -0.28 0
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25469 625398 1 SN2O2H14C15 AB2C2D14E15 57.44 6.65 -8.89 -1.35 0
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25470 625406 1 IN2C10H11 AB2C10D11 58.83 2.35 -9.12 -0.87 0