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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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49435 11533019 1 N3O3C28H49 A3B3C28D49 -178.49 4.98 -8.78 -0.11 0
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49436 11533021 1 ClN3O4H22C26 AB3C4D22E26 -78.4 9.11 -9.47 -1.05 0
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49437 11533024 1 ClNO3C29H30 ABC3D29E30 -83.46 5.8 -9.6 -1.52 0
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49438 11533025 1 ClON5C27H30 ABC5D27E30 34.88 3.14 -9.1 -1.11 0
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49439 11533026 1 N2O3Cl4H18C20 A2B3C4D18E20 -96.38 6.23 -8.66 -1.87 0
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49440 11533027 1 N2O3Cl4H18C20 A2B3C4D18E20 -103.98 8.25 -8.86 -1.2 0
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49441 11533028 1 Cl2N2O3H16C20 A2B2C3D16E20 -24.8 2.42 -8.88 -1.94 0
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49442 11533029 1 Cl2O2N5C23H27 A2B2C5D23E27 -2.2 2.77 -8.46 -0.83 0
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49443 11533030 1 N6O6H20C23 A6B6C20D23 -11.97 11.54 -9.63 -1.52 0
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49444 11533031 1 BrNO3C25H34 ABC3D25E34 -99.45 15.44 -7.46 -0.33 1
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49445 11533032 1 NO3C25H34 AB3C25D34 -56.98 2.47 0.0 0.0 0
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49446 11533034 1 O4N6C25H28 A4B6C25D28 -53.53 5.37 -8.5 -0.07 0
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49447 11533036 1 N2O5C28H32 A2B5C28D32 -141.65 4.41 -8.6 0.05 0
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49448 11533037 1 FSN4O4C23H29 ABC4D4E23F29 -182.38 8.79 -8.59 -0.6 0
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49449 11533038 1 O3N6C26H32 A3B6C26D32 -30.73 5.24 -8.55 -1.15 0
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49450 11533039 1 SO5C28H28 AB5C28D28 -160.81 6.39 -8.27 -0.58 0
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49451 11533040 1 SO3N4C26H28 AB3C4D26E28 -19.16 8.3 -8.65 -0.59 0
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49452 11533041 1 N2S2O5C23H28 A2B2C5D23E28 -144.16 8.22 -8.37 -0.8 0
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49453 11533043 1 NOSCl3H20C24 ABCD3E20F24 14.23 3.82 -8.88 -0.65 0
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49454 11533044 1 ClOSF3N4H16C22 ABCD3E4F16G22 -107.45 5.9 -8.74 -1.6 0
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49455 11533046 1 NF3O7C22H30 AB3C7D22E30 -456.23 1.98 -9.83 -0.21 0
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49456 11533047 1 F3N3O3C25H30 A3B3C3D25E30 -223.44 5.45 -8.37 -0.42 0
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49457 11533048 1 OF3N7C23H30 AB3C7D23E30 -116.17 6.34 -8.23 -0.64 0
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49458 11533050 1 O2N5H27C29 A2B5C27D29 65.82 3.16 -9.39 -1.22 0
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49459 11533051 1 N7C29H31 A7B29C31 126.1 5.25 -8.06 -0.85 0
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49460 11533052 1 Si2O3N5C22H39 A2B3C5D22E39 -177.91 1.33 -8.79 -0.66 0
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49461 11533054 1 N2O9H18C24 A2B9C18D24 -127.31 3.13 -8.95 -2.35 0
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49462 11533056 1 F3N4O5H21C22 A3B4C5D21E22 -257.28 13.49 -9.19 -1.34 0
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49463 11533057 1 OF4N4H18C26 AB4C4D18E26 -96.1 0.45 -9.31 -0.91 0
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49464 11533058 1 O9H22C26 A9B22C26 -251.6 5.07 -8.56 -1.05 0
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49465 11533059 1 F3N4O4C23H25 A3B4C4D23E25 -272.54 1.55 -9.13 -0.65 0
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49466 11533060 1 N2O7C26H26 A2B7C26D26 -190.92 3.79 -8.34 -1.65 0
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49467 11533061 1 N2O2F3H25C28 A2B2C3D25E28 -126.09 4.94 -8.45 -1.03 0
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49468 11533062 1 FO2N6C26H31 AB2C6D26E31 -35.82 5.21 -8.18 -1.02 0
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49469 11533063 1 SO4N8C20H30 AB4C8D20E30 -96.46 5.61 -8.48 -1.25 0
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49470 11533066 1 N2S2O5C23H30 A2B2C5D23E30 -194.25 7.75 -9.36 -0.76 0
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49471 11533069 1 O2N4C29H42 A2B4C29D42 -81.19 3.94 -8.58 -0.09 0
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49472 11533070 1 ClSO6C24H27 ABC6D24E27 -211.84 0.73 -9.1 -0.44 0
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49473 11533072 2 FNOC13H16 ABCD13E16 -157.52 4.65 -8.88 -0.48 0
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49474 11533075 1 BrON6C23H23 ABC6D23E23 102.27 6.33 -8.76 -1.14 0
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49475 11533076 1 BrO3N4C22H31 AB3C4D22E31 -86.33 5.85 -8.56 -0.39 0
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49476 11533079 1 F2N3O3C27H27 A2B3C3D27E27 -166.97 3.92 -8.3 -0.91 0
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49477 11533082 1 O4N5C26H33 A4B5C26D33 -112.61 4.14 -8.69 -0.5 0
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49478 11533083 1 O3N7C25H33 A3B7C25D33 -57.61 1.92 -7.98 -0.53 0
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49479 11533085 1 NNaO3C30H34 ABC3D30E34 -153.11 15.84 -8.43 -0.81 0
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49480 11533086 1 NO3C30H35 AB3C30D35 -98.25 4.21 -9.16 -0.72 0
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49481 11533089 1 ON5C30H33 AB5C30D33 31.2 2.53 -8.98 -0.63 0
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49482 11533095 1 BrN3O3H22C24 AB3C3D22E24 -57.41 3.59 -8.8 -1.67 0
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49483 11533098 1 N2O2F7C22H23 A2B2C7D22E23 -416.58 5.31 -9.46 -1.22 2
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49484 11533099 1 FeSN2C28H28 ABC2D28E28 111.96 3.84 -7.22 -0.19 0
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49485 11533101 1 F3O4H23C28 A3B4C23D28 -251.37 5.75 -9.24 -0.99 0
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49486 11533102 1 O2F3N4H23C26 A2B3C4D23E26 -124.65 5.73 -8.13 -1.28 0
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49487 11533103 1 FN4O5C25H25 AB4C5D25E25 -146.9 3.97 -9.14 -0.92 0
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49488 11533104 1 FSN4O6C21H25 ABC4D6E21F25 -238.08 6.47 -9.21 -1.13 0
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49489 11533106 1 SF2N2O5C23H26 AB2C2D5E23F26 -254.48 6.93 -9.15 -0.76 0
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49490 11533107 1 SN2O6H24C25 AB2C6D24E25 -164.97 6.51 -9.23 -0.37 0
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49491 11533108 1 FO3N6C25H29 AB3C6D25E29 -111.26 2.99 -8.67 -0.66 0
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49492 11533111 1 FN6C29H29 AB6C29D29 78.07 5.34 -8.46 -0.69 0
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49493 11533115 1 N2O4C29H40 A2B4C29D40 -170.24 4.38 -8.77 -0.39 0
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49494 11533116 2 NOC16H18 ABC16D18 4.71 3.11 -8.39 -0.01 0
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49495 11533117 1 O3N4C28H40 A3B4C28D40 -103.36 1.29 -8.63 -0.26 0
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49496 11533119 1 SnO2C24H42 AB2C24D42 -119.64 1.89 -9.54 -0.57 0
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49497 11533121 1 Cl2O2N4H22C25 A2B2C4D22E25 17.58 8.87 -8.7 -1.02 0
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49498 11533122 1 O2N3F4H19C26 A2B3C4D19E26 -215.49 3.46 -8.95 -1.25 0
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49499 11533123 1 O4N5H23C27 A4B5C23D27 -63.01 2.96 -9.07 -0.77 0
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49500 11533125 1 SO4N5C24H27 AB4C5D24E27 -30.28 2.72 -8.86 -1.3 0
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49501 11533127 1 BrClF2O3H16C22 ABC2D3E16F22 -160.44 4.11 -9.57 -0.93 0
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49502 11533128 1 ClF2O2N5H18C24 AB2C2D5E18F24 -46.77 3.72 -8.83 -0.89 0
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49503 11533131 1 ClO2N5C26H32 AB2C5D26E32 -31.29 1.97 -8.83 -0.49 1
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49504 11533134 1 FNOC27H29 ABCD27E29 -0.56 4.6 0.0 0.0 0
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49505 11533137 2 N2O2H13C14 A2B2C13D14 -53.49 5.06 -8.64 -0.81 0
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49506 11533138 1 N2O2F3C28H29 A2B2C3D28E29 -194.67 4.44 -8.86 -0.64 0
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49507 11533142 1 N2O4C29H42 A2B4C29D42 -187.81 1.6 -9.2 -0.75 0
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49508 11533147 1 BrO2N4C24H27 AB2C4D24E27 -34.21 5.28 -8.72 -1.03 0
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49509 11533148 1 Cl2N2O2S3H16C20 A2B2C2D3E16F20 -16.77 5.65 -9.28 -1.65 0