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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194345 78519627 1 N2O3C23H26 A2B3C23D26 -97.7 4.5 -8.5 -0.03 0
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194346 78519919 1 O2N4C25H28 A2B4C25D28 -25.35 7.66 -8.79 -0.88 0
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194347 78520124 1 N3O4C20H21 A3B4C20D21 0.31 2.81 -8.38 -0.76 0
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194348 78521032 1 SN2O4C17H20 AB2C4D17E20 -159.33 2.95 -8.75 -0.94 0
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194349 78521115 1 N3O7H17C20 A3B7C17D20 -81.77 6.97 -8.72 -2.04 0
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194350 78521145 1 NO5C25H29 AB5C25D29 -149.56 2.2 -8.44 -0.71 0
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194351 78521312 1 SN2O3C16H26 AB2C3D16E26 -151.59 4.92 -9.32 -0.71 1
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194352 78521361 1 SN3O3C23H32 AB3C3D23E32 -91.92 11.57 0.0 0.0 0
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194353 78521908 1 NO4C21H21 AB4C21D21 -120.59 6.47 -9.36 -1.18 0
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194354 78522477 3 NOH7C8 ABC7D8 -29.18 4.3 -9.33 -0.91 0
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194355 78522640 1 SN3O6H21C22 AB3C6D21E22 -181.09 5.17 -8.98 -0.61 0
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194356 78522713 1 N3O3C22H27 A3B3C22D27 -97.8 6.32 -8.93 -0.49 0
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194357 78523022 1 SN2O2C24H24 AB2C2D24E24 -31.79 5.04 -8.8 -0.71 0
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194358 78523226 1 ClN2O4H17C19 AB2C4D17E19 -99.41 2.96 -9.6 -0.77 1
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194359 78523638 1 FO2N4C21H24 AB2C4D21E24 -30.4 17.18 0.0 0.0 0
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194360 78523639 1 FO2N4C21H23 AB2C4D21E23 -80.98 3.77 -9.39 -0.41 0
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194361 78523670 1 O2N4C21H24 A2B4C21D24 -33.25 4.81 -9.51 -0.12 0
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194362 78523682 1 SN3O6H17C18 AB3C6D17E18 -124.06 7.35 -8.98 -1.53 1
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194363 78523949 1 O2N4C21H25 A2B4C21D25 -5.25 5.53 0.0 0.0 0
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194364 78523976 1 NO5C16H19 AB5C16D19 -157.31 6.72 -8.76 -1.11 0
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194365 78524186 1 N3O4C19H19 A3B4C19D19 -100.0 3.86 -9.59 -0.73 0
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194366 78524256 1 SO3N4C15H20 AB3C4D15E20 -99.0 6.57 -9.36 -0.99 0
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194367 78524559 1 NO4C22H27 AB4C22D27 -139.8 3.88 -9.6 -0.21 0
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194368 78524560 2 NO2C12H14 AB2C12D14 -108.41 7.28 -9.96 -0.5 0
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194369 78524561 1 NO4C23H29 AB4C23D29 -144.71 3.86 -9.61 -0.22 0
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194370 78524562 1 NO4C26H27 AB4C26D27 -102.16 4.11 -9.64 -0.15 0
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194371 78524632 1 ClO6C21H21 AB6C21D21 -183.53 2.39 -8.57 -0.85 0
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194372 78524683 1 ClNO5C21H24 ABC5D21E24 -186.99 6.7 -8.71 -1.04 0
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194373 78525225 1 N2F3O3H19C22 A2B3C3D19E22 -199.49 2.61 -9.14 -1.47 0
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194374 78525226 1 N2F3O4H13C15 A2B3C4D13E15 -285.53 5.71 -10.18 -1.4 0
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194375 78525227 1 NO3F5H16C20 AB3C5D16E20 -329.56 2.2 -9.96 -1.55 0
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194376 78525238 1 N2F3O5H13C17 A2B3C5D13E17 -269.82 2.61 -9.78 -1.51 0
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194377 78525861 1 BrNO4H18C19 ABC4D18E19 -103.85 3.75 -9.38 -0.62 0
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194378 78525862 1 BrN3O5C14H14 AB3C5D14E14 -203.18 3.55 -9.72 -0.79 0
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194379 78525863 1 NO3C21H25 AB3C21D25 -80.62 5.77 -8.5 -0.13 0
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194380 78525864 1 BrN2O3H17C19 AB2C3D17E19 6.18 4.39 -8.29 -1.05 0
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194381 78525865 1 ClNO3H18C19 ABC3D18E19 -83.09 2.56 -9.43 -0.71 0
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194382 78525866 1 NO5C21H23 AB5C21D23 -155.52 7.72 -8.83 -0.5 0
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194383 78525919 1 ClFNO3H17C18 ABCD3E17F18 -135.19 2.79 -9.21 -1.01 0
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194384 78526266 1 N2O5H22C24 A2B5C22D24 -130.66 3.7 -8.65 -0.83 1
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194385 78526563 1 O3N4C23H29 A3B4C23D29 25.6 12.37 0.0 0.0 0
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194386 78527096 1 N3O7C18H23 A3B7C18D23 -258.25 5.12 -8.66 -0.56 0
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194387 78527097 1 ClN2O2C14H17 AB2C2D14E17 -36.87 3.98 -9.42 -0.86 0
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194388 78527369 1 NSO7C20H25 ABC7D20E25 -228.74 9.12 -8.69 -0.81 0
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194389 78527594 1 N3O6C16H19 A3B6C16D19 -213.6 5.11 -9.09 -0.56 0
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194390 78527686 1 SN2O2C19H22 AB2C2D19E22 -5.59 5.53 -8.34 -0.56 0
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194391 78527800 2 ClNO2C9H9 ABC2D9E9 -83.79 1.16 -8.66 -0.68 0
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194392 78527818 1 ClSO3N5C16H18 ABC3D5E16F18 -7.71 3.06 -9.84 -1.23 0
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194393 78528258 1 N2O5C19H22 A2B5C19D22 -102.75 4.1 -8.8 -0.6 0
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194394 78528783 1 NO5C19H21 AB5C19D21 -169.98 5.21 -8.51 -0.1 0