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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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183540 77035407 1 F2O2N4C11H12 A2B2C4D11E12 -71.23 3.68 -8.56 -0.84 0
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183541 77035421 1 SO2N7C10H13 AB2C7D10E13 71.39 4.46 -8.97 -2.33 0
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183542 77036446 1 O2N4C9H18 A2B4C9D18 -64.05 2.17 -9.33 0.36 0
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183543 77036763 1 ClO2N4C12H17 AB2C4D12E17 -44.96 3.67 -8.83 -0.18 0
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183544 77036846 1 SO2N3C13H19 AB2C3D13E19 -33.94 3.23 -8.94 -0.57 0
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183545 77037088 1 ClSO3N4H9C12 ABC3D4E9F12 52.59 4.24 -8.93 -1.59 0
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183546 77037467 1 FN2O3H11C15 AB2C3D11E15 -96.52 3.19 -9.62 -1.53 1
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183547 77037468 1 N4O5H9C12 A4B5C9D12 -96.99 3.42 0.0 0.0 0
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183548 77037469 1 O3N4H12C14 A3B4C12D14 23.08 2.89 -8.38 -1.86 0
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183549 77037707 1 ClON4C7H11 ABC4D7E11 21.64 2.36 -9.08 0.27 0
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183550 77037708 1 ClON4C8H13 ABC4D8E13 12.46 1.64 -9.05 0.26 0
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183551 77037709 1 ClFON4C12H12 ABCD4E12F12 7.02 1.35 -9.1 -0.89 0
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183552 77038072 1 SN3O3C13H21 AB3C3D13E21 -84.78 3.74 -9.18 -0.2 0
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183553 77038105 1 N3O3C10H19 A3B3C10D19 -92.99 4.43 -8.83 0.63 0
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183554 77038672 1 N3O3C11H15 A3B3C11D15 -51.61 4.02 -9.27 -0.12 0
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183555 77038954 1 N3O4C13H15 A3B4C13D15 -66.22 2.77 -9.06 -0.47 0
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183556 77038981 1 SO3N4C12H18 AB3C4D12E18 -36.73 5.48 -9.04 -0.44 0
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183557 77039372 1 O2N3C13H25 A2B3C13D25 -66.6 2.65 -9.18 0.55 0
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183558 77039439 1 FIN2O2H8C12 ABC2D2E8F12 -24.46 6.58 -9.46 -1.33 0
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183559 77039610 1 O3N4C11H14 A3B4C11D14 -23.84 1.89 -9.99 -1.49 0
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183560 77040533 1 ON3C15H23 AB3C15D23 -37.22 3.73 -8.94 0.49 0
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183561 77040781 1 O2N3C16H23 A2B3C16D23 -45.53 6.14 -9.01 -0.06 0
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183562 77041097 1 OSN3C11H23 ABC3D11E23 -61.53 4.55 -8.93 0.34 0
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183563 77041098 1 ON3C13H27 AB3C13D27 -83.99 5.56 -9.21 1.38 0
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183564 77041329 1 SO3N4C12H24 AB3C4D12E24 -109.6 1.3 -8.99 0.14 0
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183565 77041330 1 SO3N4C12H24 AB3C4D12E24 -104.06 1.63 -9.01 0.14 0
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183566 77041331 1 BrS2N3O3C10H14 AB2C3D3E10F14 -42.49 4.84 -9.2 -1.29 0
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183567 77041575 1 OSN3C12H19 ABC3D12E19 16.75 0.65 -8.79 -0.08 0
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183568 77042073 1 ClON4C11H15 ABC4D11E15 -18.4 2.5 -8.62 -0.27 0
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183569 77042074 1 OF3N4C12H15 AB3C4D12E15 -167.57 7.43 -8.63 -0.68 0
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183570 77042075 1 ON4C12H18 AB4C12D18 -14.61 5.15 -8.18 0.03 0
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183571 77042076 1 O3N4C13H18 A3B4C13D18 -85.58 6.86 -8.88 -0.55 0
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183572 77042245 1 OSN4C13H18 ABC4D13E18 11.66 2.07 -8.64 -0.88 0
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183573 77042246 1 N5C11H15 A5B11C15 57.76 3.94 -8.27 -0.08 0
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183574 77042509 1 BrO2N4C14H19 AB2C4D14E19 -61.67 6.42 -9.7 -1.02 0
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183575 77042510 1 BrO2N4C13H17 AB2C4D13E17 -55.66 6.53 -9.77 -1.04 0
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183576 77042511 1 BrO2N4C13H19 AB2C4D13E19 -66.15 6.68 -9.74 -1.02 0
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183577 77042512 1 ON7C13H19 AB7C13D19 112.26 9.51 -7.84 -1.27 0
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183578 77042513 1 ON7C11H17 AB7C11D17 112.01 9.36 -7.87 -1.3 0
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183579 77042514 1 ON7C12H19 AB7C12D19 107.65 9.35 -7.88 -1.32 0
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183580 77042515 1 ON7C12H17 AB7C12D17 118.1 9.19 -7.87 -1.31 0
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183581 77042784 1 FNO2C12H14 ABC2D12E14 -113.71 3.83 -8.64 -0.21 0
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183582 77042785 1 ClFNO2H11C15 ABCD2E11F15 -76.19 2.24 -8.78 -0.95 0
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183583 77042786 1 SN3O3C14H19 AB3C3D14E19 -120.12 2.53 -9.18 -0.4 0
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183584 77043275 1 N4O5C10H12 A4B5C10D12 -174.42 2.74 -9.95 -1.17 0
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183585 77043379 1 SO4N6C8H12 AB4C6D8E12 -113.41 4.33 -10.4 -0.58 0
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183586 77043565 1 ON3C9H13 AB3C9D13 21.33 1.82 -9.16 0.18 0
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183587 77043566 1 ON3C10H15 AB3C10D15 20.82 2.06 -8.98 0.12 0
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183588 77043567 1 ON3C12H17 AB3C12D17 40.45 2.08 -8.95 0.11 0
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183589 77043568 1 ON3C12H19 AB3C12D19 8.28 2.1 -8.85 0.13 0