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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175539 75918925 1 O2C15H18 A2B15C18 -54.41 2.31 -9.24 -0.01 0
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175540 75919025 1 NO3H19C24 AB3C19D24 -24.99 6.83 -9.13 -1.02 0
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175541 75919442 1 ClNO5C21H24 ABC5D21E24 -185.26 6.62 -8.82 -0.74 0
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175542 75919443 1 NSO4C21H27 ABC4D21E27 -156.18 2.49 -8.65 -0.55 0
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175543 75919444 1 NO4C23H29 AB4C23D29 -157.64 3.74 -8.59 0.0 0
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175544 75919556 1 N2O5C25H30 A2B5C25D30 -168.25 1.64 -8.24 -0.18 0
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175545 75919672 1 N2S2F3O4C17H23 A2B2C3D4E17F23 -318.3 4.52 -9.37 -1.8 1
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175546 75919840 1 N2O4C19H25 A2B4C19D25 -111.29 5.34 0.0 0.0 0
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175547 75919892 1 ClO2F3N3H15C21 AB2C3D3E15F21 -141.7 2.75 -8.82 -1.36 0
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175548 75920139 1 ClN2O3C22H25 AB2C3D22E25 -94.84 5.21 -9.4 -0.47 0
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175549 75920631 1 O3N5C22H35 A3B5C22D35 -111.79 3.47 -9.26 -0.25 0
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175550 75920635 1 N2S2O3C21H26 A2B2C3D21E26 -86.6 6.92 -8.72 -0.4 0
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175551 75920636 1 O2N6C25H38 A2B6C25D38 -51.46 5.89 -8.4 0.3 0
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175552 75920637 1 N2O2C19H22 A2B2C19D22 -59.73 0.71 -9.39 -0.29 0
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175553 75920878 1 ClNF3O3C19H19 ABC3D3E19F19 -262.99 5.27 -9.11 -0.92 0
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175554 75921060 1 NSO2C18H27 ABC2D18E27 -99.22 1.43 -8.92 0.04 0
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175555 75921137 1 BrNSO2H16C17 ABCD2E16F17 -39.72 5.44 -8.57 -0.59 0
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175556 75921443 2 NOF2C10H10 ABC2D10E10 -242.52 4.74 -9.28 -0.82 0
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175557 75921444 1 FN2O5C25H33 AB2C5D25E33 -215.96 4.48 -8.67 -0.4 0
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175558 75921445 1 FCl2N2O3C21H23 AB2C2D3E21F23 -145.67 1.47 -9.01 -0.66 0
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175559 75921446 1 FCl2N2O3C20H21 AB2C2D3E20F21 -132.58 2.33 -9.21 -0.78 0
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175560 75921461 1 ClFN2O3C22H26 ABC2D3E22F26 -146.41 5.81 -8.83 -0.51 0
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175561 75921462 1 FN3O3H26C27 AB3C3D26E27 -61.11 1.1 -9.15 -0.92 0
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175562 75921463 1 FN2O4H27C28 AB2C4D27E28 -114.2 4.41 -8.91 -0.89 0
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175563 75921689 1 N2O2C17H22 A2B2C17D22 -47.89 7.7 -9.53 -0.96 0
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175564 75921759 1 OCl2N2C18H22 AB2C2D18E22 -59.47 6.45 -9.54 -0.2 0
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175565 75921783 1 NOH15C18 ABC15D18 42.25 2.79 -9.46 -1.12 0
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175566 75922196 1 SN2O4C22H30 AB2C4D22E30 -160.62 2.91 -8.83 -0.48 0
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175567 75922348 1 ClSN2O3C22H27 ABC2D3E22F27 -101.4 3.54 -8.65 -1.06 0
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175568 75922487 1 F3N3O3C20H28 A3B3C3D20E28 -311.15 7.4 -9.17 -0.68 0
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175569 75922708 1 O2F3N3C24H28 A2B3C3D24E28 -209.24 5.84 -9.25 -0.54 0
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175570 75922852 1 SO5N6C14H20 AB5C6D14E20 -168.13 7.15 -9.68 -0.51 2
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175571 75923259 1 OS2N4C20H32 AB2C4D20E32 26.48 15.89 -6.38 -1.27 1
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175572 75923260 1 SN3O3C21H28 AB3C3D21E28 -70.02 5.76 0.0 0.0 2
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175573 75924262 2 NOC10H14 ABC10D14 -20.51 2.72 -7.6 -0.05 0
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175574 75924263 2 NOC10H13 ABC10D13 -38.32 1.63 -8.87 0.03 0
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175575 75924414 1 O2N3C19H27 A2B3C19D27 -36.81 5.02 -7.97 0.12 1
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175576 75924415 1 SO2N5C23H28 AB2C5D23E28 20.9 7.54 0.0 0.0 0
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175577 75924416 1 SO2N5C23H27 AB2C5D23E27 -1.03 8.77 -7.92 -1.64 1
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175578 75924417 1 O3N5C27H30 A3B5C27D30 0.34 2.76 0.0 0.0 0
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175579 75924608 1 N3O3C23H23 A3B3C23D23 -34.44 3.49 -8.82 -0.68 0
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175580 75924609 1 NO5C23H27 AB5C23D27 -189.29 3.33 -8.99 -0.8 0
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175581 75924667 1 N2O3C21H24 A2B3C21D24 -103.5 4.73 -8.85 -0.33 0
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175582 75924676 1 BrN2O2C22H29 AB2C2D22E29 -113.15 4.21 -9.56 0.15 1
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175583 75924846 1 O2N3C23H42 A2B3C23D42 -115.01 9.04 0.0 0.0 1
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175584 75925342 1 SN3O6C21H34 AB3C6D21E34 -265.35 10.05 0.0 0.0 0
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175585 75925356 2 ON2H10C12 AB2C10D12 34.46 2.87 -9.0 -0.74 0
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175586 75925357 1 FO2N4H19C24 AB2C4D19E24 -13.45 2.99 -9.11 -0.8 0
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175587 75925358 1 O4N5H17C20 A4B5C17D20 10.34 2.92 -9.2 -1.55 0
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175588 75925359 1 FO4N5H16C20 AB4C5D16E20 -38.29 5.63 -9.42 -1.62 0