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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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184345 77148813 1 N2O6C13H14 A2B6C13D14 -145.68 5.71 -9.47 -1.51 0
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184346 77148814 1 FNOH16C21 ABCD16E21 -6.65 2.94 -9.31 -0.73 0
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184347 77148815 1 N2O6C13H14 A2B6C13D14 -138.4 5.28 -9.37 -1.46 0
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184348 77149310 1 NF3O3C15H16 AB3C3D15E16 -253.86 3.49 -8.93 -1.02 0
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184349 77149361 1 N3O3C15H17 A3B3C15D17 -47.92 4.63 -9.24 -1.7 0
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184350 77149868 1 SF3N3O3C25H36 AB3C3D3E25F36 -275.13 3.83 -9.4 -1.37 0
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184351 77150350 1 ClN4O6C36H43 AB4C6D36E43 -205.1 6.53 -9.03 -1.32 0
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184352 77150442 1 FN2O6C25H43 AB2C6D25E43 -364.57 2.89 -9.02 0.77 0
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184353 77150443 1 ClF2N4O5C36H43 AB2C4D5E36F43 -277.06 8.05 -8.54 -0.61 1
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184354 77150451 3 NOSC8H10 ABCD8E10 -14.92 3.11 0.0 0.0 0
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184355 77150490 1 ClF2O2N5C27H36 AB2C2D5E27F36 -123.84 2.05 -8.79 -0.64 0
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184356 77150491 1 ClF2O2N5C27H36 AB2C2D5E27F36 -130.53 0.67 -8.95 -0.47 0
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184357 77150492 1 NaC6O7H10 AB6C7D10 -348.71 6.07 0.0 0.0 0
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184358 77150975 1 FN3O7C31H46 AB3C7D31E46 -347.46 9.32 -9.06 -0.51 0
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184359 77151095 1 N3O6C32H45 A3B6C32D45 -264.44 2.3 -9.39 0.2 0
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184360 77151233 1 F4N5O8C43H53 A4B5C8D43E53 -530.39 10.91 -9.47 -1.06 1
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184361 77151234 1 FN5O6C41H53 AB5C6D41E53 -269.92 7.98 0.0 0.0 1
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184362 77151235 1 ClN5O7C43H49 AB5C7D43E49 -160.01 4.88 0.0 0.0 1
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184363 77151236 1 BrN5O6C42H55 AB5C6D42E55 -220.79 8.57 0.0 0.0 0
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184364 77151523 1 N3O9C15H23 A3B9C15D23 -402.67 6.73 -9.94 -0.46 0
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184365 77151696 1 N3O5C30H35 A3B5C30D35 -165.95 5.38 -9.0 -0.47 0
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184366 77152122 1 ClO2N3C13H16 AB2C3D13E16 -35.97 1.33 -9.21 -0.96 0
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184367 77152123 1 O2N3C13H15 A2B3C13D15 0.85 2.32 -9.14 -0.77 0
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184368 77152451 1 ClFSO2N4C15H16 ABCD2E4F15G16 -45.94 8.76 -8.86 -1.92 0
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184369 77152596 1 SN2O9C37H52 AB2C9D37E52 -338.8 9.4 -9.51 -0.51 0
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184370 77152597 1 ClSO6H19C21 ABC6D19E21 -201.46 3.66 -8.99 -1.24 0
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184371 77152856 1 FO4N8C35H47 AB4C8D35E47 -157.74 2.22 -9.11 -1.16 0
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184372 77152992 1 ClNO4C14H18 ABC4D14E18 -165.55 4.8 -9.33 0.01 0
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184373 77153055 2 NO2H8C10 AB2C8D10 -95.75 4.23 -9.0 -1.53 0
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184374 77153056 2 NOF2H4C8 ABC2D4E8 -168.46 1.79 -10.41 -2.37 0
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184375 77153057 1 ClN3O4C16H20 AB3C4D16E20 -132.41 1.29 -9.44 -0.74 0
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184376 77153101 1 BN2O3C4H10 AB2C3D4E10 -99.41 8.98 0.0 0.0 0
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184377 77153671 1 N5O7C22H29 A5B7C22D29 -261.99 1.3 -9.78 -0.62 0
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184378 77154021 1 N4O9C10H12 A4B9C10D12 -393.29 3.43 -11.17 -1.17 0
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184379 77154084 1 Cl3O3N5C26H36 A3B3C5D26E36 -168.18 4.06 -9.34 -0.68 0
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184380 77154111 1 ClN2O5C28H33 AB2C5D28E33 -185.62 2.79 -9.46 -0.39 0
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184381 77154223 1 N3O3C11H17 A3B3C11D17 -102.76 5.99 -9.56 0.11 0
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184382 77154761 1 NO2C27H33 AB2C27D33 -59.97 5.23 -8.53 0.17 0
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184383 77154762 1 NO9H25C26 AB9C25D26 -224.0 8.12 -9.04 -1.15 -1
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184384 77154763 1 NO9H24C26 AB9C24D26 -221.52 3.8 0.0 0.0 0
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184385 77154764 1 NO9H25C26 AB9C25D26 -226.48 9.21 -8.98 -1.2 -1
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184386 77154765 1 NO9H24C26 AB9C24D26 -228.77 3.22 0.0 0.0 0
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184387 77154766 1 NO9H25C26 AB9C25D26 -230.7 7.04 -8.94 -1.14 0
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184388 77154767 1 O5C24H26 A5B24C26 -164.44 4.15 -8.63 -0.64 0
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184389 77154768 1 O5C24H26 A5B24C26 -166.35 5.46 -8.87 -0.82 0
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184390 77154964 1 ClS2N3O7C19H28 AB2C3D7E19F28 -277.66 14.47 -10.02 -1.44 0
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184391 77155004 1 NO5C22H23 AB5C22D23 -180.12 5.44 -9.22 -0.71 0
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184392 77155017 1 NF3O4C16H22 AB3C4D16E22 -325.95 3.17 -9.83 -0.14 0
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184393 77155159 1 FO2N4H25C26 AB2C4D25E26 -48.7 7.62 -8.24 -0.86 0
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184394 77155160 1 FON4C26H27 ABC4D26E27 -16.85 4.42 -8.36 -0.92 0