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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28498 827979 1 BrClNO2H5C7 ABCD2E5F7 -70.5 2.52 -9.19 -1.26 0
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28499 827980 1 N3O3H17C19 A3B3C17D19 -66.01 1.75 -8.4 -0.67 0
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28500 827981 1 INSH4C7 ABCD4E7 72.97 2.02 -9.28 -1.69 0
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28501 827982 1 N2O2C17H18 A2B2C17D18 -25.44 4.9 -9.16 -0.42 0
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28502 827984 1 N3O3C19H19 A3B3C19D19 -73.34 9.13 -7.59 -0.79 0
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28503 827995 1 ON3C14H17 AB3C14D17 14.4 3.39 -8.5 -0.43 0
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28504 827996 1 ON4C20H20 AB4C20D20 38.4 2.16 -8.2 -0.34 0
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28505 828000 1 BrON2H11C14 ABC2D11E14 43.38 0.4 -8.47 -0.97 0
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28506 828002 1 FON2H15C19 ABC2D15E19 -17.44 4.3 -8.75 -0.36 0
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28507 828011 1 O5C12H14 A5B12C14 -188.86 7.45 -8.94 -0.88 0
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28508 828013 1 ON3C18H19 AB3C18D19 16.44 3.96 -8.01 -0.27 0
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28509 828014 1 N3C19H21 A3B19C21 37.32 3.12 -8.02 -0.26 0
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28510 828025 1 ON2C21H22 AB2C21D22 2.02 5.12 -8.86 -0.77 0
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28511 828026 1 N3O4H13C15 A3B4C13D15 3.83 5.22 -9.03 -2.28 0
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28512 828027 1 N2O3H14C15 A2B3C14D15 6.93 6.09 -8.69 -1.44 0
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28513 828028 1 ON2C19H22 AB2C19D22 33.95 1.16 -9.05 0.1 0
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28514 828031 1 O2N4H18C19 A2B4C18D19 34.84 4.22 -8.44 -1.02 0
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28515 828032 1 O3N5C14H17 A3B5C14D17 45.55 7.63 -8.54 -1.32 0
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28516 828042 1 FN4C15H19 AB4C15D19 11.23 1.67 -8.33 -0.65 0
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28517 828048 1 N2O3H18C21 A2B3C18D21 -17.76 5.18 -8.69 -0.82 0
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28518 828052 1 O2N3C19H19 A2B3C19D19 4.03 5.45 -8.35 -0.34 0
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28519 828064 1 O2N4H18C19 A2B4C18D19 0.06 3.26 -8.9 -0.94 0
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28520 828082 1 OSN2H16C21 ABC2D16E21 47.08 5.3 -8.2 -0.95 0
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28521 828087 1 ON4C20H24 AB4C20D24 32.71 4.44 -8.9 -0.09 0
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28522 828103 1 NO3H19C22 AB3C19D22 -49.25 6.84 -8.63 -1.3 0
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28523 828106 1 NO2C21H23 AB2C21D23 -45.27 1.22 -9.04 0.01 0
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28524 828107 1 SN2C20H20 AB2C20D20 86.03 3.38 -8.16 -0.33 0
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28525 828108 2 N2H7C10 A2B7C10 123.77 3.15 -8.83 -0.75 0
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28526 828109 1 ClN2O2H7C13 AB2C2D7E13 -7.45 2.58 -9.47 -1.67 0
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28527 828123 1 N2O2H14C21 A2B2C14D21 58.15 3.95 -8.41 -1.65 0
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28528 828136 1 O2N3H13C19 A2B3C13D19 52.18 5.69 -8.87 -1.18 0
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28529 828139 1 O2N3C9H11 A2B3C9D11 -75.14 3.79 -8.75 0.04 0
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28530 828146 1 N2O2C11H14 A2B2C11D14 -34.15 2.8 -9.79 -0.25 0
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28531 828149 1 O4N5H11C12 A4B5C11D12 40.91 4.19 -9.43 -1.7 0
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28532 828150 1 ClN2O4H9C16 AB2C4D9E16 5.2 7.37 -9.92 -1.73 0
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28533 828153 1 OSN2C9H10 ABC2D9E10 0.88 6.81 -8.15 -0.7 0
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28534 828154 1 BrN3H14C17 AB3C14D17 118.6 2.23 -8.79 -1.26 0
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28535 828155 1 ClO3H15C19 AB3C15D19 -68.97 6.15 -9.77 -1.5 1
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28536 828158 1 NSH12C13 ABC12D13 49.81 3.41 0.0 0.0 0
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28537 828205 1 OCl2N2H10C15 AB2C2D10E15 9.11 5.17 -9.48 -1.44 0
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28538 828231 1 ClON2H15C18 ABC2D15E18 23.48 9.96 -8.97 -1.0 0
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28539 828232 3 NC6H7 AB6C7 69.15 3.96 -7.51 -0.38 0
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28540 828233 1 N2O3C20H22 A2B3C20D22 -58.73 4.49 -8.68 -0.87 0
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28541 828253 1 ON2C18H18 AB2C18D18 1.95 3.12 -9.07 -0.58 0
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28542 828259 1 NOC18H19 ABC18D19 16.79 3.91 -8.49 -0.51 0
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28543 828262 1 OSN3C19H19 ABC3D19E19 26.88 2.03 -8.6 -1.07 0
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28544 828293 1 O3C20H20 A3B20C20 -78.07 3.04 -8.98 -0.72 0
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28545 828296 1 O3C20H20 A3B20C20 -78.01 2.52 -8.99 -0.78 0
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28546 828297 1 NPO2H14C17 ABC2D14E17 -62.5 4.67 -8.49 -0.75 0
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28547 828301 1 OSN2C9H14 ABC2D9E14 -46.46 5.28 -8.9 -0.54 0
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28548 828305 2 NOC10H10 ABC10D10 4.83 2.49 -9.49 -0.44 0
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28549 828306 1 SN2O2H16C17 AB2C2D16E17 -17.45 2.75 -8.54 -0.5 0
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28550 828310 1 FNOC16H16 ABCD16E16 -63.75 3.64 -8.8 -0.57 0
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28551 828313 1 N2O2H16C21 A2B2C16D21 3.4 4.18 -8.97 -0.68 0
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28552 828316 1 SN2H18C19 AB2C18D19 68.56 5.02 -8.68 -0.74 0
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28553 828323 1 N2O4H10C17 A2B4C10D17 -27.59 3.98 -9.63 -1.52 0
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28554 828338 1 ClOSN2H13C16 ABCD2E13F16 32.44 6.41 -8.61 -0.68 0
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28555 828339 1 ON3H17C21 AB3C17D21 65.17 3.91 -8.64 -0.95 0
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28556 828345 1 N2O4H18C19 A2B4C18D19 -127.46 2.06 -8.7 -0.65 0
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28557 828358 2 ON2H7C10 AB2C7D10 123.69 8.92 -8.97 -1.69 0
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28558 828361 1 NSO5H11C17 ABC5D11E17 -49.44 3.5 -8.84 -1.75 0
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28559 828362 1 BrNSO2H10C15 ABCD2E10F15 -8.6 2.92 -8.94 -1.65 0
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28560 828365 1 SN2O2H14C19 AB2C2D14E19 33.76 6.39 -8.66 -0.85 0
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28561 828366 1 SN2O2H14C19 AB2C2D14E19 33.63 4.04 -8.65 -0.84 0
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28562 828367 1 ClN2O3H13C17 AB2C3D13E17 -59.92 1.98 -9.38 -1.11 0
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28563 828368 1 BrNO3H14C16 ABC3D14E16 -86.39 5.69 -9.54 -0.94 0
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28564 828369 1 NOF2C19H21 ABC2D19E21 -115.03 1.69 -9.39 -0.18 0
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28565 828376 1 N2O3C18H20 A2B3C18D20 -78.93 3.2 -8.3 -0.21 0
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28566 828389 1 NOC19H23 ABC19D23 -13.28 0.86 -8.19 0.34 0
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28567 828397 2 NO2H6C7 AB2C6D7 -67.21 2.02 -9.82 -0.61 0
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28568 828398 1 NO2C14H21 AB2C14D21 -97.39 2.76 -9.41 0.07 0
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28569 828405 1 SN3O4C16H17 AB3C4D16E17 -100.53 2.24 -8.51 -1.27 0
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28570 828406 1 SN3O4C16H17 AB3C4D16E17 -101.15 4.18 -8.46 -1.15 0
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28571 828407 1 O3H10C16 A3B10C16 -6.9 3.88 -9.67 -1.39 0
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28572 828410 1 ClO3H9C16 AB3C9D16 -17.01 4.45 -9.6 -1.5 0