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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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447716 135285038 1 O3N8C23H28 A3B8C23D28 -35.25 9.84 -8.7 -0.43 0
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447717 135285052 1 O3N5C30H31 A3B5C30D31 9.69 4.46 -9.21 -1.04 0
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447718 135285076 1 Cl2O3N4C30H36 A2B3C4D30E36 -86.49 4.16 -8.8 -0.52 0
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447719 135285084 1 SF2N2O4H20C22 AB2C2D4E20F22 -187.68 6.84 -8.32 -0.89 0
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447720 135285099 1 N2O2C15H22 A2B2C15D22 -35.25 3.22 -8.9 0.0 0
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447721 135285113 1 SN6O6C25H34 AB6C6D25E34 -140.68 5.25 -9.19 -0.56 0
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447722 135285114 1 ClINOF3H4C8 ABCDE3F4G8 -166.59 4.96 -10.19 -1.73 0
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447723 135285119 1 FO4N5H26C27 AB4C5D26E27 -93.78 5.32 -8.97 -1.12 0
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447724 135285124 1 BrF2N2O2H13C16 AB2C2D2E13F16 -105.55 4.12 -8.91 -0.72 0
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447725 135285137 1 N6O15C56H98 A6B15C56D98 -822.47 7.84 -9.06 -1.05 0
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447726 135285139 1 N2O5C28H54 A2B5C28D54 -335.95 5.61 -9.39 0.61 0
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447727 135285149 1 N5O10C48H91 A5B10C48D91 -651.43 5.42 -9.26 0.63 0
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447728 135285164 1 N8O15C46H82 A8B15C46D82 -773.03 5.82 -9.95 -0.19 0
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447730 135285182 2 N3O7C22H41 A3B7C22D41 -721.94 13.57 -9.2 0.33 0
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447731 135285191 1 N7O9C36H69 A7B9C36D69 -467.11 5.85 -8.9 0.18 0
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447732 135285195 1 N8O12C27H48 A8B12C27D48 -549.7 3.6 -9.74 -0.16 0
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447733 135285202 1 N6O16C53H98 A6B16C53D98 -840.84 11.43 -9.38 -0.3 0
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447734 135285207 2 N2O3C12H20 A2B3C12D20 -289.98 6.35 -9.58 -0.16 0
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447735 135285218 1 N2O5C32H62 A2B5C32D62 -364.74 1.75 -9.44 0.69 0
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447736 135285221 2 N2O7C25H46 A2B7C25D46 -781.66 4.07 -9.66 0.44 0
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447737 135285222 1 N7O15C59H109 A7B15C59D109 -875.9 14.33 -9.38 0.34 0
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447738 135285223 1 NO2C13H31 AB2C13D31 -156.7 4.18 -10.1 2.6 0
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447739 135285226 2 OC5H11 AB5C11 -137.74 3.3 -10.03 2.7 0
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447740 135285233 1 NOC10H23 ABC10D23 -87.26 2.36 -9.25 2.64 0
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447741 135285235 1 NOC8H19 ABC8D19 -88.1 3.48 -9.29 2.98 0
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447742 135285246 2 OC5H11 AB5C11 -139.78 2.82 -10.05 2.72 0
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447743 135285260 1 O2C9H20 A2B9C20 -138.23 3.05 -10.02 2.73 0
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447744 135285264 1 NOC9H21 ABC9D21 -85.64 3.19 -9.34 2.86 0
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447745 135285270 1 NO2C15H35 AB2C15D35 -86.38 24.59 -4.76 -0.63 0
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447746 135285288 1 ClFO3N4H20C25 ABC3D4E20F25 -56.32 7.49 -8.96 -0.81 0
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447747 135285301 1 ClFO3N4H22C26 ABC3D4E22F26 -62.1 3.52 -8.73 -0.64 0
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447748 135285311 2 N2O2C14H15 A2B2C14D15 -104.96 3.31 -8.68 -0.69 0
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447749 135285312 1 F3O4N5H24C28 A3B4C5D24E28 -213.35 5.02 -8.78 -1.03 0
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447750 135285315 1 ClFO3N4H20C25 ABC3D4E20F25 -55.71 6.84 -9.23 -1.04 0
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447751 135285316 2 N2O2H12C13 A2B2C12D13 -40.03 2.74 -8.91 -0.76 0
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447752 135285327 1 Cl2O3N4H22C26 A2B3C4D22E26 -23.4 2.14 -8.79 -0.72 0
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447753 135285332 1 SO2N4H24C26 AB2C4D24E26 25.16 2.48 -8.61 -0.89 0
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447754 135285343 3 NH7C8 AB7C8 106.42 3.46 -8.96 -0.65 0
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447755 135285357 1 OSCl2F3N6C23H29 ABC2D3E6F23G29 -171.99 8.44 -8.29 -1.04 1
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447756 135285364 1 NPO7C34H71 ABC7D34E71 -486.43 3.05 0.0 0.0 0
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447757 135285380 1 ClO2N4H21C23 AB2C4D21E23 16.88 5.98 -9.31 -0.83 0
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447765 135285455 1 NO4C10H17 AB4C10D17 -168.53 7.62 -10.06 0.02 -1
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447766 135285459 1 SN2O4H5C10 AB2C4D5E10 -32.93 3.39 0.0 0.0 0
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447767 135285494 2 N3C7H14 A3B7C14 37.73 8.39 -8.01 -0.37 0
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447768 135285503 1 FSO3N7H30C32 ABC3D7E30F32 7.06 2.83 -8.39 -1.81 0
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447769 135285511 2 N3H13C15 A3B13C15 192.51 6.55 -8.26 -1.65 0
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447770 135285518 2 N3C13H13 A3B13C13 157.05 6.39 -7.93 -1.55 0
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447771 135285529 1 OF3N6H33C35 AB3C6D33E35 -13.4 3.08 -8.31 -1.7 0
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447772 135285535 1 FSO3N6H27C32 ABC3D6E27F32 25.55 9.5 -8.07 -1.44 0
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447773 135285558 1 OF3N5H24C31 AB3C5D24E31 -16.45 5.17 -8.36 -1.76 0
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447774 135285562 1 ON4H24C26 AB4C24D26 106.98 7.38 -8.22 -1.6 0
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447775 135285607 4 OH4C6 AB4C6 -24.03 3.29 -9.82 -2.06 0
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447776 135285636 1 SO3N5C35H43 AB3C5D35E43 -75.46 6.67 -8.65 -0.71 0
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447777 135285653 1 ClO2F3N3H13C14 AB2C3D3E13F14 -185.89 3.18 -10.04 -1.06 0
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447778 135285671 1 FSO3N4C36H43 ABC3D4E36F43 -134.51 8.33 -8.64 -0.61 0
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447779 135285682 1 O5N6C38H50 A5B6C38D50 -204.85 6.62 -9.07 -1.36 0
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447780 135285707 1 FSN3O6C26H32 ABC3D6E26F32 -285.29 7.29 -9.03 -0.84 0
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447781 135285710 1 FSN2O6C24H25 ABC2D6E24F25 -240.13 3.31 -9.12 -1.0 0
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447782 135285716 1 FSN3O4C27H36 ABC3D4E27F36 -197.65 4.87 -8.8 -0.79 0
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447783 135285733 1 BrFSN2O4C11H12 ABCD2E4F11G12 -183.27 4.27 -10.12 -1.23 0
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447784 135285735 1 BrNSO4C12H14 ABCD4E12F14 -132.31 4.98 -10.18 -1.08 0
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447785 135285740 1 FSN3O6C24H28 ABC3D6E24F28 -262.77 3.42 -9.06 -0.92 0
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447786 135285742 1 BrSO2N4C10H11 ABC2D4E10F11 10.43 5.03 -9.95 -0.98 0
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447787 135285763 1 BrS2N4O4C14H19 AB2C4D4E14F19 -103.29 8.24 -9.43 -0.88 0
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447788 135285773 1 FSN2O5C19H19 ABC2D5E19F19 -201.37 7.86 -9.14 -1.16 0
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447789 135285778 1 FNS2O4H16C21 ABC2D4E16F21 -114.58 10.41 -9.11 -1.11 0
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447790 135285782 1 BrSN3O4C16H20 ABC3D4E16F20 -125.85 2.55 -9.45 -1.61 0
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447791 135285798 1 BrNSO4C12H16 ABCD4E12F16 -170.59 2.82 -10.25 -1.23 0
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447792 135285799 1 NO4C15H27 AB4C15D27 -167.64 3.35 -10.03 -0.43 0
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447793 135285819 1 OPC40H53 ABC40D53 -12.72 1.98 -8.54 0.23 0
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447794 135285829 1 ClN2O4C38H41 AB2C4D38E41 -130.22 2.93 -8.68 -0.27 0
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447795 135285830 1 FN3O5C46H56 AB3C5D46E56 -217.99 6.82 -8.43 -0.4 0
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447796 135285833 1 F2N2O4C39H42 A2B2C4D39E42 -219.95 3.85 -8.75 -0.36 0
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447797 135285838 2 FNO2C20H22 ABC2D20E22 -228.57 3.29 -8.82 -0.24 0
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447798 135285850 1 NF3O5C36H36 AB3C5D36E36 -309.96 8.0 -8.87 -0.37 0