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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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17667 510938 1 ON5C8H9 AB5C8D9 60.53 1.4 -9.71 -1.86 0
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17668 511047 1 N5O11C41H61 A5B11C41D61 -317.52 9.99 -8.8 -1.2 0
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17669 511048 1 N5O11C42H63 A5B11C42D63 -342.17 8.45 -8.79 -0.51 0
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17670 511185 1 PCl3N3O6C15H21 AB3C3D6E15F21 -327.26 2.71 -9.79 -0.76 0
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17671 511221 1 PN3O8C19H22 AB3C8D19E22 -357.58 4.91 -9.65 -0.59 0
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17672 511391 1 BrClPC2H3O5 ABCD2E3F5 -252.08 3.03 -10.88 -1.66 0
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17673 511392 1 FPC3O5H6 ABC3D5E6 -324.29 3.77 -11.31 -0.14 0
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17674 511393 1 ClPC3O5H6 ABC3D5E6 -278.72 4.33 -10.91 -0.74 0
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17675 511394 1 BrPC3O5H6 ABC3D5E6 -265.6 4.84 -10.92 -1.37 0
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17676 511481 1 SCl3N5O5H12C16 AB3C5D5E12F16 4.72 5.23 -9.45 -2.37 0
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17677 511482 1 ClN3C19H20 AB3C19D20 60.99 4.94 -8.18 -0.14 0
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17678 511514 2 NOH10C12 ABC10D12 33.23 2.17 -8.7 -1.18 0
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17679 511515 1 NOC23H29 ABC23D29 -3.62 1.27 -8.51 0.08 0
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17680 511532 1 BrNS2O6C29H34 ABC2D6E29F34 -183.03 5.66 -9.17 -1.08 0
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17681 511550 1 BrS2N4O10C40H41 AB2C4D10E40F41 -189.92 2.55 -9.01 -2.4 0
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17682 511554 1 BrS2N4O7C40H49 AB2C4D7E40F49 -197.87 4.29 -8.47 -0.78 0
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17683 511616 2 NSC13H22 ABC13D22 -21.44 5.57 -8.54 -0.34 0
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17684 511672 1 OS2C8H14 AB2C8D14 -44.99 4.74 -8.88 -0.51 0
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17685 511673 1 OS2C8H12 AB2C8D12 -23.55 4.11 -8.96 -0.73 0
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17686 512024 1 BrOF3H3N3C5 ABC3D3E3F5 -151.45 6.51 -10.11 -1.39 0
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17687 512049 1 BrOCl2N3H6C10 ABC2D3E6F10 7.36 7.73 -9.76 -1.26 0
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17688 512081 1 PO5C11H17 AB5C11D17 -283.89 5.92 -10.21 -0.16 0
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17689 512165 1 IN2O4C12H15 AB2C4D12E15 -126.33 6.99 -9.09 -0.86 0
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17690 512203 1 SN3O4H11C16 AB3C4D11E16 -26.3 3.6 -8.72 -1.12 0
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17691 512219 1 O2N4C18H21 A2B4C18D21 -4.51 2.18 0.0 0.0 1
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17692 512350 1 NC17H29 AB17C29 -49.77 1.36 -8.33 2.9 0
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17693 512364 1 BrSN2H15C16 ABC2D15E16 70.05 5.58 -8.79 -0.83 0
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17694 512369 1 SCl2O2N3C18H33 AB2C2D3E18F33 -155.1 8.41 -9.42 -0.62 0
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17695 512451 1 NO3C15H15 AB3C15D15 -80.08 5.66 -8.45 -0.8 0
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17696 512577 1 ClN5C15H16 AB5C15D16 78.46 3.97 -8.56 -0.39 0
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17697 512727 1 PN4O7C11H13 AB4C7D11E13 -301.48 7.72 -8.72 -0.42 0
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17698 512740 1 O5C25H32 A5B25C32 -216.48 6.55 -9.98 -0.72 0
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17699 512853 1 SN2O3C26H40 AB2C3D26E40 -174.05 5.4 -9.14 -0.21 0
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17700 513018 1 SN2Cl3O4H17C19 AB2C3D4E17F19 -127.89 3.31 -8.9 -0.99 0
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17701 513019 1 SN2Cl3O4H17C19 AB2C3D4E17F19 -129.68 6.08 -8.82 -0.88 0
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17702 513137 1 SO5C21H32 AB5C21D32 -215.5 5.69 -8.73 -0.37 0
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17703 513526 1 N4O11C27H42 A4B11C27D42 -491.4 3.09 -10.06 -0.61 0
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17704 513586 1 SN4O15C46H50 AB4C15D46E50 -497.5 2.14 -9.33 -1.28 0
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17705 513587 1 PN4O10C14H23 AB4C10D14E23 -471.64 4.56 -10.16 -0.92 0
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17707 513655 1 S3N5O5C26H31 A3B5C5D26E31 -116.98 12.4 -9.18 -1.33 0
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17708 513902 1 O2N3H13C19 A2B3C13D19 33.5 8.57 -9.42 -1.19 0
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17709 514010 1 FSN4O5C36H49 ABC4D5E36F49 -252.31 6.77 -8.76 -0.57 0
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17710 514011 1 FSN4O5C31H41 ABC4D5E31F41 -239.55 6.99 -9.0 -0.7 0
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17711 514034 1 FSO5N6C33H41 ABC5D6E33F41 -190.87 7.62 -8.82 -0.73 0
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17712 514075 1 NO5C19H27 AB5C19D27 -139.3 5.47 -9.6 -1.05 0
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17713 514105 1 NO3H9C10 AB3C9D10 -63.1 6.03 -9.81 -0.89 0
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17714 514228 1 PN6O9C33H59 AB6C9D33E59 -478.22 10.74 -9.46 -0.3 0
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17715 514264 2 NOC11H12 ABC11D12 -38.92 9.13 -8.45 -0.78 0
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17716 514461 1 SN3O5C34H39 AB3C5D34E39 -175.97 2.41 -9.0 -0.33 0
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17717 514487 1 SN3O6C28H35 AB3C6D28E35 -225.09 1.82 -9.06 -0.28 0
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17718 514493 1 SN3O5C31H41 AB3C5D31E41 -218.2 5.67 -8.76 -0.6 0
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17719 514870 1 Cl2N2O2H10C15 A2B2C2D10E15 -15.9 9.43 -9.2 -1.15 0
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17720 514905 1 NOSCl2C18H19 ABCD2E18F19 -21.42 4.3 -8.83 -0.63 0
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17721 514940 1 O7H18C20 A7B18C20 -228.03 4.01 -8.78 -0.38 0
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17722 515009 1 O2N3C26H33 A2B3C26D33 -54.72 7.0 -8.78 -0.4 0
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17723 515027 1 ClF2S2O3N5H14C21 AB2C2D3E5F14G21 -79.47 1.09 -9.2 -1.64 0
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17724 515229 1 FSO2N3H18C20 ABC2D3E18F20 1.64 5.01 -8.69 -0.44 0
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17725 515301 1 N2O2C27H32 A2B2C27D32 -42.46 1.2 -8.98 -1.04 0
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17726 515467 1 S2F3N6H15C16 A2B3C6D15E16 -23.31 4.32 -9.08 -0.92 0
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17727 515468 1 S2F3N6H15C16 A2B3C6D15E16 -20.97 6.4 -9.13 -0.98 0
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17728 515469 1 S2F3N6H15C16 A2B3C6D15E16 -23.61 5.05 -9.3 -0.97 0
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17729 515470 1 S2N7H15C16 A2B7C15D16 178.13 7.44 -9.2 -1.2 0
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17730 515472 1 ClS2N6C15H15 AB2C6D15E15 129.3 4.51 -8.95 -1.05 0
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17731 515620 1 N3O8C47H81 A3B8C47D81 -499.95 6.8 -9.38 0.36 0
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17732 515622 1 O2N3C7H9 A2B3C7D9 -57.02 3.33 -10.36 0.09 0
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17733 515663 2 OH7C10 AB7C10 -6.26 2.39 -9.14 -1.56 0
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17734 515746 3 N2O2C13H16 A2B2C13D16 -182.8 3.18 -9.3 -0.48 0
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17735 515771 1 SO5N6C38H48 AB5C6D38E48 -156.76 4.25 -9.36 -0.48 0
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17736 515772 1 SO5N6C38H48 AB5C6D38E48 -151.13 7.42 -9.44 -0.67 0
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17737 515953 2 NOH3C5 ABC3D5 1.16 5.46 -9.63 -1.84 0
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17738 515992 1 N2O4C21H22 A2B4C21D22 -11.9 8.62 -9.43 -1.36 0
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17739 516015 1 N4O6C47H50 A4B6C47D50 -146.9 3.77 -9.29 -0.47 0
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17740 516016 1 N4O5C28H34 A4B5C28D34 -153.16 3.85 -9.54 -0.4 0
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17741 516415 1 NOH21C24 ABC21D24 34.76 6.62 -8.32 -0.37 0
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17742 516557 1 N2S2O3C14H18 A2B2C3D14E18 -111.93 4.31 -9.35 -0.77 0