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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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181591 76764250 1 FO4H11C12 AB4C11D12 -167.75 0.95 -9.11 -0.44 0
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181592 76764251 1 ON2C10H12 AB2C10D12 39.72 2.26 -10.18 -1.05 0
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181593 76764252 2 NOC5H6 ABC5D6 -54.31 3.55 -10.75 -0.34 0
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181594 76764253 1 ClNO2C10H12 ABC2D10E12 -48.0 5.4 -8.64 -1.1 0
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181595 76764254 1 O2C11H14 A2B11C14 -84.32 1.53 -9.02 0.14 0
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181596 76764255 1 NO3C20H29 AB3C20D29 -162.89 1.22 -9.29 0.32 0
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181597 76764764 1 FCl2O3H11C15 AB2C3D11E15 -145.84 3.98 -9.51 -1.14 0
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181598 76764765 1 NO6C18H25 AB6C18D25 -229.37 4.79 -9.5 -0.71 0
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181599 76765182 1 F2O3N4C26H36 A2B3C4D26E36 -179.68 3.02 -8.83 -0.69 0
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181600 76765458 1 NO4C34H57 AB4C34D57 -229.16 4.56 -8.55 0.17 0
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181601 76765623 1 SO3N5H23C24 AB3C5D23E24 12.82 4.4 -8.64 -0.86 0
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181602 76765624 1 ON3C7H9 AB3C7D9 0.09 3.94 -8.09 0.24 0
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181603 76765671 1 N2O6C21H24 A2B6C21D24 -174.61 6.17 -8.73 -0.76 0
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181604 76765867 1 O3C33H46 A3B33C46 -140.35 7.51 -8.48 -1.1 0
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181605 76765868 1 O3C30H40 A3B30C40 -125.42 4.06 -8.54 -1.19 0
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181606 76765869 1 NO3C36H45 AB3C36D45 -92.13 7.19 -8.57 -1.21 0
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181607 76765870 1 O3C31H42 A3B31C42 -132.62 6.88 -8.49 -1.11 0
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181608 76765871 1 S3N6Na7O14H27C42 A3B6C7D14E27F42 -526.41 18.47 -5.0 -0.55 0
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181609 76765872 1 S4N6Na8O17H24C41 A4B6C8D17E24F41 -424.75 100.07 -5.28 -3.39 0
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181610 76766079 1 ClN2O7C25H27 AB2C7D25E27 -270.84 9.1 -9.15 -0.88 0
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181611 76766080 1 NSCl2O7C24H25 ABC2D7E24F25 -264.32 2.4 -8.73 -1.12 0
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181612 76766081 1 NSCl2O5C21H21 ABC2D5E21F21 -180.64 7.5 -9.08 -0.94 0
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181613 76766108 1 ClN3O5C25H28 AB3C5D25E28 -170.01 7.4 -8.98 -0.56 -2
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181614 76766441 1 YC17H36 AB17C36 69.24 0.27 0.0 0.0 0
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181615 76766909 1 OSF3N3H14C21 ABC3D3E14F21 -64.87 4.23 -8.93 -1.96 0
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181616 76766916 1 N2C19H20 A2B19C20 60.51 3.47 -8.62 -0.44 0
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181617 76766917 1 NOSF3H18C24 ABCD3E18F24 -113.3 2.78 -8.88 -1.06 0
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181618 76766985 1 O17N29C78H113 A17B29C78D113 -643.67 14.1 -9.05 -0.66 0
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181619 76766986 2 O8N13C37H50 A8B13C37D50 -564.85 14.75 -8.58 -0.55 0
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181620 76766987 1 N11O25C89H159 A11B25C89D159 -1191.89 20.74 -8.33 -0.58 0
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181621 76766988 1 N11O17C73H127 A11B17C73D127 -836.52 2.22 -8.6 -0.92 0
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181622 76766989 1 N7O34C97H185 A7B34C97D185 -1619.33 20.8 -8.7 0.0 0
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181623 76766990 1 S2N12O13C56H96 A2B12C13D56E96 -642.9 6.6 -8.18 -0.61 1
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181624 76766991 1 O5N7C24H40 A5B7C24D40 -184.4 3.39 0.0 0.0 0
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181625 76766992 1 O15N21C92H139 A15B21C92D139 -689.23 19.02 -8.28 -1.28 0
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181626 76767498 1 N3O6C28H29 A3B6C28D29 -109.78 6.82 -8.78 -1.17 0
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181627 76767558 1 N3O4C29H29 A3B4C29D29 -42.78 8.54 -9.24 -1.11 0
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181628 76767559 1 N2O5C32H34 A2B5C32D34 -127.52 8.1 -8.72 -0.94 0
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181629 76767560 1 N3O5C28H35 A3B5C28D35 -142.7 7.26 -8.72 -0.97 0
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181630 76767561 1 N3O5H27C28 A3B5C27D28 -57.67 6.09 -8.78 -1.06 0
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181631 76767680 1 BrN2O2C18H21 AB2C2D18E21 -34.19 4.95 -9.38 -0.55 0
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181632 76767829 1 NO5H31C32 AB5C31D32 -56.95 6.48 -8.81 -1.06 0
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181633 76767830 1 N4O6C35H40 A4B6C35D40 -156.71 8.86 -8.65 -0.96 0
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181634 76767899 1 N2O5C24H32 A2B5C24D32 -207.24 4.81 -9.41 -0.58 0
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181635 76767900 1 NO4C26H31 AB4C26D31 -109.36 4.86 -9.01 -0.92 0
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181636 76767901 1 NF2O4H17C18 AB2C4D17E18 -225.52 2.33 -9.98 -0.85 0
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181637 76768053 2 N2O2H14C15 A2B2C14D15 8.63 3.75 -8.83 -1.13 0
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181638 76768054 1 NO5C19H21 AB5C19D21 -171.76 4.6 -8.97 -0.57 0
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181639 76768055 1 NO4C19H21 AB4C19D21 -139.57 2.53 -9.27 -0.44 0
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181640 76768056 1 N3O4C28H31 A3B4C28D31 -64.73 2.86 -9.19 -1.18 0