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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194595 78559355 1 FN3O5C13H14 AB3C5D13E14 -243.1 3.89 -10.36 -0.95 0
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194596 78559356 1 OSN6C15H16 ABC6D15E16 102.8 6.12 -9.52 -0.95 0
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194597 78559357 1 BrFNO4H15C18 ABCD4E15F18 -154.82 3.15 -9.96 -1.0 0
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194598 78559807 1 ClFNO3H17C19 ABCD3E17F19 -134.31 3.22 -8.69 -1.36 0
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194599 78559808 1 ClFNO5H17C20 ABCD5E17F20 -208.96 3.79 -9.48 -1.54 0
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194600 78559945 2 ClNO2C9H11 ABC2D9E11 -180.4 5.1 -9.25 -1.16 0
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194601 78560004 1 ClFNO5H17C20 ABCD5E17F20 -205.84 3.91 -9.95 -1.44 0
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194602 78560519 1 BrNO3C20H20 ABC3D20E20 -65.74 2.3 -9.39 -0.7 0
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194603 78560520 1 BrNO3C20H20 ABC3D20E20 -68.06 3.28 -9.19 -0.75 0
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194604 78560622 1 N3O4C24H25 A3B4C24D25 -85.54 3.88 -8.69 -0.87 0
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194605 78560793 2 NO2C9H11 AB2C9D11 -161.35 4.09 -9.67 -1.12 0
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194606 78560794 1 ClFNO3H17C19 ABCD3E17F19 -135.55 5.84 -9.12 -1.09 0
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194607 78560795 1 FN2O4H17C19 AB2C4D17E19 -113.43 7.17 -9.14 -1.72 0
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194608 78561127 1 N3O4C22H25 A3B4C22D25 -77.51 4.05 -8.3 -0.68 0
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194609 78561504 1 NSO3C18H21 ABC3D18E21 -104.31 2.64 -8.76 -1.02 2
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194610 78561561 1 ON3C25H35 AB3C25D35 12.54 2.27 -8.83 0.03 0
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194611 78561562 1 S2N3O3C19H19 A2B3C3D19E19 -49.11 2.92 -8.66 -0.88 0
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194612 78561563 1 FN2O5C19H19 AB2C5D19E19 -223.49 10.71 -8.32 -1.0 0
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194613 78561877 1 ClN2O3H21C23 AB2C3D21E23 -83.52 3.48 -8.97 -1.3 0
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194614 78562244 1 SO2N4H14C18 AB2C4D14E18 35.3 4.78 -8.8 -1.18 0
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194615 78562283 2 FNO3C8H9 ABC3D8E9 -326.73 3.08 -9.33 -1.52 0
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194616 78562553 1 SO2N6C18H18 AB2C6D18E18 20.31 3.02 -9.29 -1.09 0
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194617 78562803 1 SO2N4C23H28 AB2C4D23E28 -10.69 6.33 -9.06 -0.76 0
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194618 78562924 1 FN3O3C24H28 AB3C3D24E28 -119.49 5.8 -8.7 -0.75 1
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194619 78563776 1 NF3O4C25H27 AB3C4D25E27 -252.82 13.97 0.0 0.0 0
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194620 78563777 1 NO7C22H23 AB7C22D23 -236.84 4.17 -9.11 -0.84 0
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194621 78563778 1 NO6C22H25 AB6C22D25 -204.22 3.49 -8.79 -0.57 0
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194622 78564443 1 ClSN2O4C17H23 ABC2D4E17F23 -172.63 7.41 -9.01 -1.11 0
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194623 78564739 1 SN2O5H16C20 AB2C5D16E20 -120.07 5.71 -9.25 -1.84 0
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194624 78565069 1 N4O4H20C23 A4B4C20D23 -15.24 8.97 -9.6 -1.44 0
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194625 78565133 1 N2O7C20H24 A2B7C20D24 -268.28 5.77 -9.37 -0.7 0
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194626 78565134 1 ClN3O5C16H16 AB3C5D16E16 -158.55 6.68 -9.18 -0.68 0
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194627 78565220 1 NF3O5C28H28 AB3C5D28E28 -307.79 5.3 -8.47 -1.08 0
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194628 78565447 1 SN2O3C21H26 AB2C3D21E26 -78.48 7.88 -8.31 -1.02 0
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194629 78565866 1 N2O4H16C19 A2B4C16D19 -15.19 8.15 -9.61 -1.42 0
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194630 78566173 1 ON2H16C20 AB2C16D20 56.7 2.44 -8.87 -0.63 0
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194631 78566174 1 OF2N2H12C19 AB2C2D12E19 -26.15 7.43 -8.95 -0.75 0
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194632 78566681 1 N2O3C24H24 A2B3C24D24 -44.16 4.37 -9.04 -0.63 0
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194633 78566761 1 FOSN7C19H20 ABCD7E19F20 44.61 4.65 -9.38 -0.74 0
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194634 78566762 1 SO4H16C17 AB4C16D17 -112.22 4.25 -8.62 -0.99 0
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194635 78566763 1 N2O3H20C22 A2B3C20D22 -22.58 3.36 -9.09 -0.62 0
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194636 78566764 1 FOSN6C20H21 ABCD6E20F21 32.76 6.78 -9.14 -0.76 0
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194637 78566765 1 FN2O3H19C22 AB2C3D19E22 -69.98 5.24 -9.07 -0.75 0
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194638 78567119 1 SO3N5C19H23 AB3C5D19E23 -71.48 7.69 -8.7 -0.81 0
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194639 78567411 1 N2O3C26H30 A2B3C26D30 -74.35 7.65 -8.52 -0.54 0
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194640 78567527 1 SN3O3C19H19 AB3C3D19E19 7.83 4.51 -9.12 -1.72 0
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194641 78567528 1 ClOSN2C19H19 ABCD2E19F19 2.72 1.19 -8.93 -0.77 0
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194642 78567529 1 SN2O2C19H20 AB2C2D19E20 -2.98 6.04 -8.59 -0.94 0
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194643 78567530 1 OSN2C21H22 ABC2D21E22 27.24 6.19 -8.62 -0.67 0
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194644 78567531 1 OSCl2N2H18C19 ABC2D2E18F19 -3.99 1.59 -8.99 -1.01 0