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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226516 87457739 1 NO2C13H17 AB2C13D17 -32.2 2.7 -8.97 -0.14 0
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226517 87457740 1 BrSO2F3N3H13C18 ABC2D3E3F13G18 -161.79 3.77 -9.74 -1.26 0
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226518 87457741 1 OC14H20 AB14C20 -16.57 3.41 -9.06 -0.15 0
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226519 87457743 1 H8F12C27 A8B12C27 -451.38 1.61 -9.15 -1.98 0
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226520 87457744 1 SO3F6N6C28H32 AB3C6D6E28F32 -388.4 9.5 -8.47 -1.08 0
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226521 87457745 1 SO4N5F6C27H29 AB4C5D6E27F29 -429.52 10.33 -9.0 -1.11 0
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226522 87457747 1 SiO2C3H8 AB2C3D8 -148.55 1.02 -8.75 1.11 0
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226523 87457748 1 NaSO3C5H9 ABC3D5E9 -184.18 7.81 -9.02 0.16 0
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226524 87457749 1 ClSO2F3N3H13C20 ABC2D3E3F13G20 -166.31 7.57 -9.77 -1.47 0
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226525 87457752 2 OC9H16 AB9C16 -125.9 4.81 -9.6 0.61 0
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226526 87457753 1 S2F3N3O3H16C21 A2B3C3D3E16F21 -173.91 9.56 -9.62 -1.75 0
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226527 87457754 1 S2F3N3O3H16C21 A2B3C3D3E16F21 -173.91 9.56 -9.62 -1.75 0
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226528 87457758 1 N2C9H22 A2B9C22 -40.11 1.83 -9.26 3.34 0
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226529 87457775 1 BrClHF3C6 ABCD3E6 -115.16 1.28 -10.06 -1.38 0
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226530 87457777 1 BrON5F6C28H32 ABC5D6E28F32 -284.2 3.59 -8.65 -1.26 0
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226531 87457786 1 ClSF3O3N4H16C19 ABC3D3E4F16G19 -242.54 5.32 -9.69 -1.43 0
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226532 87457794 1 O4C11H12 A4B11C12 -69.27 3.43 -11.27 -1.38 0
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226533 87457796 2 O2C14H25 A2B14C25 -248.44 2.01 -10.86 -0.96 0
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226534 87457801 2 OC5H6 AB5C6 -20.14 2.12 -9.67 -0.19 0
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226535 87457804 1 O2C17H36 A2B17C36 -177.18 0.64 -10.35 1.92 0
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226536 87457812 1 SN6O7C36H46 AB6C7D36E46 -200.4 1.85 -9.6 -1.17 0
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226537 87457815 1 N2O5F6C21H28 A2B5C6D21E28 -542.47 2.54 -9.73 -1.14 0
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226538 87457845 1 N2O3F6C18H24 A2B3C6D18E24 -452.27 7.34 -9.42 -0.66 0
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226539 87457846 1 SO6C28H58 AB6C28D58 -383.82 3.55 -10.15 -0.76 0
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226540 87457847 1 SO7C28H60 AB7C28D60 -436.91 4.23 -9.73 -0.84 0
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226541 87457851 2 O2H13C22 A2B13C22 21.14 0.58 -8.77 -1.64 0
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226542 87457853 1 FOCl2N4H9C12 ABC2D4E9F12 -33.42 4.44 -9.57 -1.09 0
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226544 87464910 1 SN3F4O4H17C21 AB3C4D4E17F21 -295.22 1.74 -8.82 -1.12 0
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226545 87464911 2 Cl3O3C13H14 A3B3C13D14 -254.79 3.29 -9.36 -1.41 0
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226546 87467690 1 SSiN2O2C9H12 ABC2D2E9F12 -47.6 1.2 -8.96 -0.77 0
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226548 87491659 2 N2C5H5 A2B5C5 193.71 0.84 -8.26 -0.87 -1
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226550 87493179 1 PCl3O3C17H26 AB3C3D17E26 -201.51 1.81 -9.29 -0.46 0
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226551 87494406 1 N2O4C21H24 A2B4C21D24 -139.45 3.83 -9.39 -0.86 -4
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226552 87521664 1 SiZrCl2H44C45 ABC2D44E45 33.17 4.66 -7.5 -1.03 0
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226553 87524789 1 FSO2N4H23C27 ABC2D4E23F27 29.23 18.6 -7.8 -2.12 0
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226554 87525615 1 S2N3O6C7H9 A2B3C6D7E9 -173.47 7.26 -9.66 -1.37 0
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226555 87525983 1 AsO4C18H19 AB4C18D19 -111.59 4.06 -9.49 -0.64 0
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226556 87529487 1 ClN2O3H19C22 AB2C3D19E22 -35.25 5.78 -9.56 -0.65 0
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226557 87533164 2 SC6H8 AB6C8 42.62 2.94 -8.23 -1.2 0
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226558 87544091 1 OBr2N3H7C9 AB2C3D7E9 33.96 3.4 -9.66 -1.38 0
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226559 87544094 2 N3O5C27H33 A3B5C27D33 -313.51 1.78 -9.34 -0.83 0
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226560 87544095 2 N3O5C27H32 A3B5C27D32 -301.65 6.36 -9.42 -0.77 0
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226561 87544097 1 BrN3O3C22H22 AB3C3D22E22 4.07 5.36 -9.14 -0.93 0
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226562 87544098 1 NO2C11H11 AB2C11D11 5.43 3.67 -8.36 -0.87 0
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226563 87544099 1 NO5C9H13 AB5C9D13 -215.25 5.71 -10.37 -0.29 0
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226564 87544101 1 SF3O4N5C28H28 AB3C4D5E28F28 -215.39 4.54 -8.65 -0.82 0
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226565 87544102 1 SN2O5C13H22 AB2C5D13E22 -211.67 5.94 -8.48 -0.06 0
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226566 87544103 1 SN2O5C13H22 AB2C5D13E22 -211.13 3.78 -8.46 -0.08 -1
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226567 87544104 1 F3N3O8H33C34 A3B3C8D33E34 -233.86 32.57 0.0 0.0 0
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226568 87544188 1 NSO4C12H13 ABC4D12E13 -113.78 6.35 -9.23 -0.9 0