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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141513 52886484 1 N9C19H19 A9B19C19 186.59 6.41 -9.04 -1.1 0
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141514 52886813 1 ClSN2O4C17H27 ABC2D4E17F27 -195.42 6.66 -9.51 -0.45 0
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141515 52887220 1 SN2O4C12H16 AB2C4D12E16 -135.14 6.3 -9.58 -1.06 0
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141516 52887802 1 SN3O4H15C19 AB3C4D15E19 16.19 6.76 -8.59 -1.64 0
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141517 52887921 1 FO3H15C17 AB3C15D17 -129.25 2.83 -9.49 -0.88 0
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141518 52888158 1 SN2O3C18H24 AB2C3D18E24 -120.47 3.58 -8.99 -0.77 0
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141519 52888184 1 S2O3N6C20H20 A2B3C6D20E20 21.55 6.44 -8.73 -0.87 0
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141520 52888364 1 SO2N3C16H21 AB2C3D16E21 -36.18 3.84 -8.68 -0.75 0
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141521 52888365 1 SO2N3C16H21 AB2C3D16E21 -36.51 3.94 -8.64 -0.75 0
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141522 52888366 1 FNSO2H14C17 ABCD2E14F17 -47.91 2.7 -8.93 -0.94 0
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141523 52888681 1 N2O2S3C13H14 A2B2C3D13E14 -0.1 5.04 -8.71 -1.29 0
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141524 52888682 1 N2O2S3C20H20 A2B2C3D20E20 27.62 3.14 -8.65 -1.03 0
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141525 52888866 1 ClO5H15C19 AB5C15D19 -155.72 5.9 -9.55 -1.2 0
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141526 52889128 1 SN3O3C21H21 AB3C3D21E21 3.73 5.19 -8.76 -0.37 0
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141527 52889154 1 SO2N3C22H25 AB2C3D22E25 13.88 1.62 -8.47 -0.51 0
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141528 52889165 1 SO2N4C23H28 AB2C4D23E28 0.39 5.29 -8.49 -0.51 0
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141529 52890126 1 SCl2N4O4H16C18 AB2C4D4E16F18 -98.42 2.2 -8.68 -0.78 0
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141530 52890161 1 ClSO2N3C21H22 ABC2D3E21F22 -15.44 6.76 -8.45 -1.01 0
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141531 52890353 1 NO5C21H27 AB5C21D27 -189.17 5.18 -8.9 -0.31 0
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141532 52890443 1 NO3C21H25 AB3C21D25 -123.52 5.83 -9.57 -0.17 0
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141533 52891213 1 O3C18H20 A3B18C20 -89.06 4.04 -8.5 -0.53 0
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141534 52891536 1 ClN2O2C15H17 AB2C2D15E17 11.86 4.15 -9.47 -0.86 0
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141535 52891724 1 NSO4C16H23 ABC4D16E23 -162.67 9.21 -9.04 -0.12 0
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141536 52891843 1 Br2N2O2H16C17 A2B2C2D16E17 -51.73 1.43 -9.32 -0.81 1
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141537 52892260 1 SN2O4C23H31 AB2C4D23E31 -125.15 5.51 0.0 0.0 0
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141538 52892261 1 SN2O4C23H30 AB2C4D23E30 -138.58 8.35 -8.77 -0.89 0
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141539 52892299 1 BrN2S2O4C17H25 AB2C2D4E17F25 -149.71 3.82 -8.81 -1.22 1
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141540 52892332 1 BrN2O4C14H18 AB2C4D14E18 -52.16 8.88 0.0 0.0 1
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141541 52892418 1 N2O6C16H21 A2B6C16D21 -136.0 5.51 0.0 0.0 0
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141542 52892419 2 NO3C8H10 AB3C8D10 -161.75 4.3 -8.95 -1.87 1
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141543 52892420 1 N2O6C16H21 A2B6C16D21 -137.94 4.71 0.0 0.0 0
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141544 52892421 2 NO3C8H10 AB3C8D10 -161.04 4.41 -8.88 -1.89 1
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141545 52892422 1 NO5C19H28 AB5C19D28 -154.5 15.61 0.0 0.0 0
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141546 52892471 1 NO3C19H23 AB3C19D23 -95.32 1.82 -8.61 -0.5 0
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141547 52893072 1 NCl2O5C21H21 AB2C5D21E21 -179.33 6.49 -8.43 -0.77 0
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141548 52893073 1 ClN2O5C20H21 AB2C5D20E21 -157.4 4.16 -8.44 -0.8 0
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141549 52893270 1 BrSN2O3C15H21 ABC2D3E15F21 -116.39 6.03 -9.47 -0.98 0
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141550 52893508 1 NO2C14H19 AB2C14D19 -62.15 4.8 -8.36 0.16 0
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141551 52893509 1 NO2C14H19 AB2C14D19 -62.7 4.79 -8.36 0.16 0
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141552 52893510 1 NO2C18H25 AB2C18D25 -82.79 5.05 -8.38 0.17 0
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141553 52893511 1 NO2C18H25 AB2C18D25 -81.87 4.62 -8.39 0.17 0
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141554 52893540 1 F3N3O3C19H24 A3B3C3D19E24 -208.44 3.84 -9.43 -1.44 1
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141555 52893692 1 Cl2O3N4C18H19 A2B3C4D18E19 19.39 8.22 0.0 0.0 1
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141556 52893694 1 ClON3C14H21 ABC3D14E21 -4.56 4.02 0.0 0.0 0
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141557 52893695 1 ClON3C14H20 ABC3D14E20 -37.64 4.95 -8.9 -0.24 1
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141558 52893696 1 OCl2N4C17H19 AB2C4D17E19 42.73 5.55 0.0 0.0 0
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141559 52893697 1 OCl2N4C17H18 AB2C4D17E18 7.35 4.19 -8.94 -1.18 -1
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141560 52893698 1 SN4O4H9C15 AB4C4D9E15 13.31 1.39 0.0 0.0 0
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141561 52893895 1 SN2O3C17H22 AB2C3D17E22 -83.53 4.65 -8.36 -0.78 0
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141562 52894099 1 SN2O4C23H28 AB2C4D23E28 -133.92 8.37 -9.13 -0.7 0