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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147371 53787027 1 O3N6C28H32 A3B6C28D32 -14.73 14.61 -9.63 -0.9 0
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147372 53787028 1 O2H12C13 A2B12C13 -22.3 6.46 -8.65 -1.26 0
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147373 53787029 1 N6O11C40H64 A6B11C40D64 -552.61 4.85 -9.65 0.02 0
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147374 53787030 1 N6O11C40H64 A6B11C40D64 -533.6 7.47 -9.4 -0.87 0
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147375 53787031 1 N6O11C40H64 A6B11C40D64 -538.41 5.93 -9.42 0.18 0
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147376 53787032 1 N4O5C15H18 A4B5C15D18 -133.75 6.14 -8.53 -0.63 0
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147377 53787033 1 ON2C18H18 AB2C18D18 3.59 3.05 -8.93 -0.27 0
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147378 53787034 2 H3O3N4C5 A3B3C4D5 -162.35 3.22 -9.42 -1.64 0
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147379 53787035 1 N2O5C12H20 A2B5C12D20 -220.38 6.07 -9.67 -0.53 0
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147380 53787036 2 NOC5H9 ABC5D9 -74.21 2.05 -8.92 0.21 0
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147381 53787037 1 ClON2C12H15 ABC2D12E15 -21.64 3.94 -9.48 -0.04 0
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147382 53787038 1 O6C13H22 A6B13C22 -278.71 4.98 -9.9 -0.26 0
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147383 53787039 1 O2F3N7H24C28 A2B3C7D24E28 -61.49 8.01 -8.9 -0.9 0
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147384 53787040 1 SN2O4C30H34 AB2C4D30E34 -100.57 6.39 -8.19 -0.52 0
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147385 53787041 1 NSiO6C9H21 ABC6D9E21 -364.7 7.11 -9.8 0.62 0
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147386 53787042 1 NOC10H13 ABC10D13 -37.67 2.99 -9.32 0.21 0
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147387 53787043 1 N4O5C14H14 A4B5C14D14 -71.16 1.96 -9.7 -1.68 0
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147388 53787044 2 ON2C6H9 AB2C6D9 -34.8 5.01 -8.79 -0.89 0
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147389 53787045 1 N4O4C13H20 A4B4C13D20 -38.14 4.87 -9.02 -1.05 0
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147390 53787046 1 N3O6C15H19 A3B6C15D19 -192.92 5.41 -9.54 -0.97 0
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147391 53787047 1 NO2C28H35 AB2C28D35 -41.09 2.94 -8.72 0.12 0
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147392 53787048 1 FNSO4H14C15 ABCD4E14F15 -80.73 4.9 -8.53 -0.74 0
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147393 53787049 8 C3H5 A3B5 -18.32 0.84 -8.61 1.21 0
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147394 53787050 2 C8H13 A8B13 -9.06 1.03 -8.6 1.42 0
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147395 53787051 1 O2F3N3C16H22 A2B3C3D16E22 -153.18 12.83 -9.21 -1.36 0
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147396 53787052 1 FNPO5H33C34 ABCD5E33F34 -187.98 4.19 -9.41 -0.98 0
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147397 53787053 1 S3O7N9C20H23 A3B7C9D20E23 -109.56 7.63 -9.1 -1.15 0
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147398 53787054 1 NOSC8H9 ABCD8E9 -26.15 5.36 -9.03 -0.49 0
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147399 53787055 1 NS2O3C20H33 AB2C3D20E33 -142.93 1.54 -9.16 -0.58 0
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147400 53787056 3 O2C9H12 A2B9C12 -263.89 2.55 -9.76 -0.52 0
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147401 53787057 1 OC18H26 AB18C26 -41.72 2.06 -9.21 0.48 0
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147402 53787058 1 NF2O2H9C14 AB2C2D9E14 -83.92 2.23 -9.32 -0.83 0
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147403 53787059 1 ON6C32H70 AB6C32D70 -151.38 6.34 -8.44 1.17 0
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147404 53787060 1 BrNOC13H16 ABCD13E16 -30.01 5.38 -9.57 -0.74 0
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147405 53787061 1 SO3N4H12C14 AB3C4D12E14 -45.2 4.14 -9.03 -1.55 0
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147406 53787062 1 ON2C37H74 AB2C37D74 -195.2 4.04 -9.48 1.24 0
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147407 53787063 2 NF3H7C10 AB3C7D10 -258.26 0.04 -8.7 -1.03 0
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147408 53787064 1 O5C24H38 A5B24C38 -271.51 6.5 -9.16 -0.32 0
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147409 53787065 1 NCl2O4H23C26 AB2C4D23E26 -125.25 4.85 -9.33 -1.05 0
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147410 53787066 1 SO3N4C14H18 AB3C4D14E18 -42.06 4.93 -8.3 -0.66 0
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147411 53787067 2 NOC2H4 ABC2D4 17.81 2.26 -9.29 -0.86 0
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147412 53787068 1 O2N3C24H33 A2B3C24D33 -74.85 6.34 -8.73 -0.47 0
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147413 53787069 1 NO2H15C18 AB2C15D18 -7.59 3.99 -8.72 -0.84 0
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147415 53787071 2 NC10H13 AB10C13 18.67 1.54 -8.27 0.45 0
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147416 53787072 1 O7C13H20 A7B13C20 -271.43 7.36 -9.91 0.13 0
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147417 53787073 1 O3C28H32 A3B28C32 -94.62 5.78 -8.53 0.02 0
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147418 53787074 1 N2F3O4H11C12 A2B3C4D11E12 -238.1 1.9 -10.22 -1.02 0
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147419 53787075 1 O2N4C13H14 A2B4C13D14 15.34 4.32 -9.58 -1.68 0
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147420 53787076 1 ON2C26H36 AB2C26D36 -47.8 5.68 -8.53 0.25 0
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147421 53787077 1 O3N4C15H16 A3B4C15D16 -33.31 3.6 -9.36 -1.27 0
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147422 53787078 1 ClSN4O4C23H23 ABC4D4E23F23 -78.42 6.52 -9.02 -1.31 0
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147423 53787079 6 OC3H5 AB3C5 -210.97 5.53 -9.75 -0.62 0
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147424 53787080 1 FBr2O2H9C11 AB2C2D9E11 -90.66 2.76 -9.72 -0.86 1
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147425 53787081 1 N3H10C12 A3B10C12 94.57 3.0 0.0 0.0 0
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147426 53787082 1 N3O3C29H37 A3B3C29D37 -74.33 5.74 -8.12 -0.14 0
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147427 53787083 1 Cl2N2O2C29H30 A2B2C2D29E30 -24.66 2.71 -7.9 -0.42 0
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147428 53787084 1 Cl2N2O2C29H30 A2B2C2D29E30 -23.3 3.22 -7.79 -0.48 0
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147429 53787085 1 BrNO4C22H24 ABC4D22E24 -131.26 2.51 -8.44 -0.11 0
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147430 53787086 1 N3H49C62 A3B49C62 245.81 3.87 -7.81 -0.26 0
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147431 53787087 1 ClON4C11H15 ABC4D11E15 -21.98 1.85 -9.44 -0.2 0
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147432 53787088 1 FNC26H28 ABC26D28 5.59 3.78 -8.72 0.38 1
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147433 53787089 1 NC44H92 AB44C92 -167.98 0.29 0.0 0.0 0
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147434 53787090 1 NOC6H15 ABC6D15 -38.92 1.06 -9.48 1.63 0
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147435 53787091 1 PN7O8C14H18 AB7C8D14E18 -306.31 8.15 -9.42 -0.45 0
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147436 53787092 1 N3O3H23C26 A3B3C23D26 11.36 7.38 -8.33 -0.76 0
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147437 53787093 1 N3O3H23C26 A3B3C23D26 10.85 5.27 -8.67 -0.7 0
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147438 53787094 1 ClNOSH8C9 ABCDE8F9 -17.58 1.69 -9.17 -0.44 0
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147439 53787095 1 SN6C23H26 AB6C23D26 143.82 6.15 -8.73 -0.82 0
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147440 53787096 2 NC9H13 AB9C13 20.83 3.12 -7.85 0.53 0
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147441 53787097 1 O3N4H22C25 A3B4C22D25 6.76 3.85 -8.61 -0.9 0
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147442 53787098 2 FNC9H9 ABC9D9 -20.58 2.09 -8.91 -0.4 0
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147443 53787099 2 ON2C7H11 AB2C7D11 -64.61 4.48 -8.14 0.09 0
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147444 53787100 1 FN2O4C19H29 AB2C4D19E29 -227.17 8.47 -9.3 0.32 0
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147445 53787101 1 NOSC3H9 ABCD3E9 -37.36 3.01 -8.63 0.73 0
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147446 53787102 1 O5C39H48 A5B39C48 -166.99 3.7 -8.44 0.3 0
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147447 53787103 1 NO2C11H11 AB2C11D11 11.57 2.21 -8.33 -0.21 0
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147448 53787104 1 N4O4C11H18 A4B4C11D18 -190.86 5.47 -9.91 0.13 0
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147450 53787106 1 NOC8H11 ABC8D11 -27.09 0.91 -8.9 0.1 0
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147451 53787107 1 NOC8H11 ABC8D11 -27.08 0.91 -8.9 0.1 0
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147452 53787108 1 OF6H8C14 AB6C8D14 -291.86 3.96 -9.57 -0.96 0
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147453 53787109 1 NO3C13H23 AB3C13D23 -129.3 4.54 -10.52 0.16 0
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147454 53787110 1 SN2O3H8C10 AB2C3D8E10 -36.41 2.62 -9.21 -1.52 0
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147455 53787111 2 NO2C6H8 AB2C6D8 -84.55 7.67 -9.15 -0.77 0
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147456 53787112 2 O2C8H13 A2B8C13 -206.85 2.83 -10.02 0.13 0
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147457 53787113 1 O3N8C27H30 A3B8C27D30 11.21 3.27 -8.95 -0.7 0
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147458 53787114 2 ClNO2C8H8 ABC2D8E8 -144.83 2.82 -9.16 -1.03 1
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147459 53787115 1 N3C21H22 A3B21C22 72.61 2.06 0.0 0.0 0
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147460 53787116 1 ClNOC8H8 ABCD8E8 22.41 1.78 -9.62 -0.37 0
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147461 53787117 1 ClSN2O3C24H25 ABC2D3E24F25 -76.3 1.76 -8.59 -0.94 0
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147462 53787118 1 NO4C20H25 AB4C20D25 -176.42 8.73 -8.6 -0.4 0
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147463 53787119 1 O5C39H70 A5B39C70 -312.24 4.39 -9.09 0.44 0
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147464 53787120 1 NS2C7H13 AB2C7D13 -12.12 2.05 -8.9 -0.08 0
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147465 53787121 1 BrClO3H12C13 ABC3D12E13 -82.36 3.22 -9.39 -0.68 0
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147466 53787122 1 NO3C21H21 AB3C21D21 -71.33 3.74 -9.52 -0.55 0
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147467 53787123 1 O2C31H50 A2B31C50 -158.77 5.99 -9.43 0.01 0
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147468 53787124 1 O4C57H96 A4B57C96 -259.77 3.14 -9.14 0.5 0
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147469 53787125 1 SN4O4H10C12 AB4C4D10E12 -38.07 4.9 -9.76 -1.49 0
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147470 53787126 1 NSO4H15C17 ABC4D15E17 -107.74 6.28 -9.42 -0.85 0
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147471 53787127 1 NSO4H15C17 ABC4D15E17 -108.91 4.31 -9.25 -0.56 0
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147472 53787128 1 SN2O5H26C27 AB2C5D26E27 -111.94 3.24 -8.71 -0.87 1