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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162535 57394972 1 O2C15H30 A2B15C30 -153.01 3.46 -9.82 0.34 0
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162536 57394973 1 FSN3O6C26H32 ABC3D6E26F32 -214.21 6.05 -8.74 -1.27 0
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162537 57394975 1 O2N8H14C15 A2B8C14D15 67.2 3.35 -9.35 -1.7 0
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162538 57394979 1 NOSH15C20 ABCD15E20 45.6 3.08 -8.64 -0.94 0
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162539 57394986 1 O2C19H30 A2B19C30 -120.79 4.07 -9.22 0.05 0
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162541 57394992 1 ClON3C28H28 ABC3D28E28 2.81 4.31 -8.43 -0.57 0
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162542 57394995 1 FN3O3C20H20 AB3C3D20E20 -97.02 5.95 -9.78 -1.15 0
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162543 57395001 1 SiO5C26H44 AB5C26D44 -300.03 3.59 -8.89 -0.52 0
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162544 57395007 1 FISN2O3H16C17 ABCD2E3F16G17 -123.99 1.57 -9.02 -1.46 0
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162546 57395010 1 S2N3O5C12H13 A2B3C5D12E13 -192.2 5.73 -10.18 -1.12 0
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162548 57395018 1 O3N4H16C17 A3B4C16D17 -6.42 3.22 -9.26 -1.05 0
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162549 57395026 1 SBr2N2O3C19H26 AB2C2D3E19F26 -126.79 4.46 -8.82 -1.09 0
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162550 57395033 1 ClN4O5C35H41 AB4C5D35E41 -140.1 6.77 -8.88 -0.33 0
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162551 57395040 1 BFO4H8C10 ABC4D8E10 -235.75 5.95 -10.07 -1.56 0
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162552 57395044 1 F2N4O5C29H30 A2B4C5D29E30 -207.78 4.93 -8.81 -0.67 0
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162554 57395048 1 ON7C19H27 AB7C19D27 17.9 3.25 -8.32 -0.4 0
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162555 57395049 1 ClN2C17H21 AB2C17D21 7.85 3.69 -8.27 -0.08 0
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162556 57395054 2 ClN2H5C6 AB2C5D6 80.64 2.81 -9.2 -1.22 0
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162559 57395069 1 N2F3O4C18H21 A2B3C4D18E21 -296.19 8.61 -9.74 -1.22 0
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162560 57395077 2 ClNNaO5H20C23 ABCD5E20F23 -455.06 9.09 -7.78 -1.41 0
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162561 57395078 2 ClNO5H21C23 ABC5D21E23 -336.98 3.96 -8.47 -1.39 0
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162562 57395083 1 SO2Cl3N4C23H27 AB2C3D4E23F27 -62.86 1.4 -8.79 -1.8 0
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162563 57395086 1 ClSO2N4C23H27 ABC2D4E23F27 -17.57 9.9 -8.0 -1.45 0
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162564 57395087 1 FON5H14C15 ABC5D14E15 31.19 4.32 -9.04 -1.05 0
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162565 57395089 1 ClSO3H17C22 ABC3D17E22 -33.83 6.65 -9.47 -1.04 0
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162566 57395090 1 NSO6H19C23 ABC6D19E23 -69.61 8.84 -9.65 -1.84 0
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162567 57395091 1 ClSF3O3H16C23 ABC3D3E16F23 -195.68 5.49 -9.71 -1.54 0
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162568 57395095 1 FO3N4C15H17 AB3C4D15E17 -80.38 1.84 -9.07 -1.3 1
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162569 57395097 1 O3N4C30H37 A3B4C30D37 -7.84 6.42 0.0 0.0 0
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162570 57395100 1 O2N5H17C19 A2B5C17D19 33.73 6.71 -8.83 -0.66 0
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162571 57395101 1 O2N5H19C20 A2B5C19D20 32.79 6.01 -8.77 -0.61 0
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162572 57395103 1 N4O7C16H20 A4B7C16D20 -156.54 4.82 -10.17 -1.79 0
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162573 57395107 1 SN2O3C19H34 AB2C3D19E34 -182.29 2.69 -9.41 0.64 0
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162575 57395118 1 ClN2O3H21C27 AB2C3D21E27 -1.43 6.68 -8.4 -0.84 0
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162577 57395129 1 SCl2N2O2H16C20 AB2C2D2E16F20 -25.56 7.62 -8.87 -1.4 0
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162578 57395131 1 Cl3F3N5O5C34H35 A3B3C5D5E34F35 -303.37 4.15 -8.98 -0.55 0
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162579 57395137 1 O2N5C23H25 A2B5C23D25 -14.4 7.43 -8.83 -0.82 0
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162580 57395139 1 IO3N4H15C16 AB3C4D15E16 -60.84 3.96 -8.98 -0.78 0
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162581 57395140 1 ClON2H27C42 ABC2D27E42 159.47 4.25 -8.8 -1.12 0
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162582 57395142 1 OCl2N2H28C46 AB2C2D28E46 166.8 2.14 -8.8 -1.27 0
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162583 57395144 1 N2O3H24C28 A2B3C24D28 6.34 4.16 -8.66 -0.69 0
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162585 57395147 2 N6C19H30 A6B19C30 150.56 4.82 -8.48 -0.49 0
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162586 57395149 1 ON3C12H15 AB3C12D15 51.38 8.8 -7.95 -0.16 0
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162587 57395151 1 N4O11C18H36 A4B11C18D36 -496.02 6.24 -9.63 0.46 0
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162589 57395158 1 O2N3H23C25 A2B3C23D25 34.04 3.44 -9.02 -1.12 0
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162591 57395160 1 ClSN2O2C13H19 ABC2D2E13F19 -67.11 4.18 -8.74 -0.84 0
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162592 57395162 1 ON7H17C19 AB7C17D19 135.69 2.27 -8.94 -0.99 0
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162593 57395164 1 O3N8H16C19 A3B8C16D19 76.44 2.81 -8.52 -1.06 0
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162595 57395167 1 BrCl2O2N6H15C17 AB2C2D6E15F17 13.71 1.68 -8.44 -0.9 0
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162596 57395168 1 ClOF2N3H14C21 ABC2D3E14F21 -42.54 5.06 -9.12 -1.18 0
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162597 57395171 1 SN26O30C85H148 AB26C30D85E148 -1489.75 2.76 -8.8 -0.3 0
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162601 57410659 1 OF2N4H26C27 AB2C4D26E27 -59.09 5.16 -9.25 -0.95 0
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162602 57410663 1 FN3O4C32H32 AB3C4D32E32 -126.62 6.25 -8.79 -1.17 0
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162603 57410682 1 NO5C17H25 AB5C17D25 -245.68 2.09 -9.16 0.01 -1
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162604 57410685 1 ClRhO4C16H24 ABC4D16E24 122.83 9.79 -9.45 -5.32 0
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162605 57410691 1 SO3N4C25H28 AB3C4D25E28 -28.44 4.73 -8.72 -1.58 0
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162606 57410694 1 FSO2N6C28H31 ABC2D6E28F31 -1.77 4.35 -8.73 -0.44 0
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162608 57410719 1 O2N3C35H35 A2B3C35D35 -8.48 4.23 -8.57 -1.41 0
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162611 57410728 1 FON3H18C19 ABC3D18E19 -21.42 5.89 -8.8 -0.84 0
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162612 57410733 1 ClO2N4C21H25 AB2C4D21E25 -49.68 8.59 -8.51 -0.57 0
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162618 57410756 1 ON6C30H30 AB6C30D30 132.28 5.36 -8.44 -0.91 0
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162619 57410765 1 N2O4C21H24 A2B4C21D24 -76.62 4.97 -8.18 -0.21 0
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162620 57410773 1 N2O3H14C18 A2B3C14D18 -11.95 2.81 -9.4 -1.53 0
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162621 57410785 1 O2N7H29C30 A2B7C29D30 68.05 6.69 -8.54 -0.78 0
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162622 57410789 2 ON3C14H14 AB3C14D14 36.62 6.8 -8.73 -0.92 0
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162624 57410796 1 O6N8C43H50 A6B8C43D50 -177.29 2.69 -8.58 -0.51 0
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162625 57410820 1 SF2O2N6C20H28 AB2C2D6E20F28 -126.19 3.89 -8.7 -0.45 0
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162627 57410827 1 N3O4C20H21 A3B4C20D21 -113.39 5.41 -9.03 -0.49 0
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162628 57410830 2 N2O2C10H11 A2B2C10D11 -106.53 6.78 -8.85 -0.71 0
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162631 57410848 1 FO2N3H18C20 AB2C3D18E20 -53.72 4.68 -8.99 -1.2 0
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162632 57410849 1 ON4H16C20 AB4C16D20 79.76 2.86 -8.66 -0.88 0
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162633 57410855 1 F3N3O3C23H24 A3B3C3D23E24 -231.26 8.31 -9.06 -1.09 0
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162634 57410856 1 F3N3O3H20C21 A3B3C3D20E21 -219.72 7.74 -9.06 -1.06 0
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162638 57410881 1 ClFN3C22H23 ABC3D22E23 5.8 5.33 -8.18 -0.74 0
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162640 57410889 2 NO2C11H13 AB2C11D13 -125.97 2.75 -7.99 0.2 0
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162641 57410890 1 SN2O2H16C19 AB2C2D16E19 32.41 7.15 -9.6 -1.97 0
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162642 57410892 1 O5C14H16 A5B14C16 -191.29 3.48 -9.52 -0.45 0
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162643 57410895 1 ClO5H13C17 AB5C13D17 -145.23 2.36 -9.33 -0.77 0
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162644 57410899 1 SO4C24H34 AB4C24D34 -150.84 4.7 -8.71 -1.56 0
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162646 57410903 1 NO4C15H17 AB4C15D17 -110.01 4.04 -8.59 -1.29 0
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162647 57410905 1 NO4C19H25 AB4C19D25 -129.82 4.03 -8.58 -1.28 0
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162648 57410906 1 SO2C16H18 AB2C16D18 -48.42 3.02 -8.92 -1.87 0
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162651 57410922 1 F2N2O2H18C21 A2B2C2D18E21 -102.65 3.19 -9.25 -1.15 0
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162655 57410963 1 NF2O7C10H17 AB2C7D10E17 -419.29 1.62 -10.28 -0.08 0
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162656 57410964 1 ClNF2O7C10H18 ABC2D7E10F18 -459.64 4.55 -10.61 0.33 0
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162660 57417361 2 N4C9 A4B9 344.91 0.01 -11.39 -3.92 0
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162661 57417362 2 N5C12 A5B12 454.02 0.01 -10.96 -4.36 0
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162662 57417368 1 ClOC7H12 ABC7D12 -38.75 2.91 0.0 0.0 -1
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162664 57551346 1 FON3H26C28 ABC3D26E28 -9.91 4.41 -8.2 -0.67 0
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162666 57551353 1 FO2N3H24C27 AB2C3D24E27 -56.19 0.76 -8.3 -0.7 0
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162667 57551364 1 FON2H25C27 ABC2D25E27 -13.26 4.01 -8.23 -0.73 0
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162668 57551368 1 FOSN2H19C21 ABCD2E19F21 -30.11 3.8 -8.29 -0.73 0
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162670 57551385 1 FO3N4C25H27 AB3C4D25E27 -108.27 7.34 -8.25 -0.53 0
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162671 57551386 1 FN2O4H27C28 AB2C4D27E28 -150.07 2.0 -8.2 -0.72 0
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162672 57551389 1 FN2O2H25C26 AB2C2D25E26 -63.73 5.32 -8.21 -0.48 0
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162674 57551393 1 ClFO2N3H23C26 ABC2D3E23F26 -78.13 3.76 -8.2 -1.02 0
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162676 57551397 1 FN2O2H25C26 AB2C2D25E26 -68.01 4.58 -8.12 -0.41 0
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162678 57551410 1 FSO2N3H24C25 ABC2D3E24F25 -65.75 5.93 -8.22 -1.06 0
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162679 57551411 1 FON4H19C21 ABC4D19E21 -5.83 5.65 -8.19 -1.41 0
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162681 57551414 1 FN3O4C24H24 AB3C4D24E24 -152.44 7.12 -8.22 -0.66 0