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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298691 117654007 1 F2O4N5C19H19 A2B4C5D19E19 -159.24 10.9 -9.57 -1.69 0
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298692 117654010 1 FN2O6C37H37 AB2C6D37E37 -163.35 2.44 -9.16 -0.84 0
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298693 117654014 2 ON2C9H9 AB2C9D9 4.37 4.7 -8.67 -0.87 0
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298694 117654015 2 ON2C9H9 AB2C9D9 5.84 5.16 -8.93 -0.74 0
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298695 117654017 1 SO4C27H38 AB4C27D38 -172.21 5.56 -8.62 -0.86 0
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298696 117654019 1 O3N4F5C31H31 A3B4C5D31E31 -309.04 5.34 -9.21 -1.28 0
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298697 117654043 1 BrSN5O5H22C23 ABC5D5E22F23 -121.51 4.4 -8.71 -0.97 0
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298698 117654047 1 ON3C10H15 AB3C10D15 -7.46 5.24 -8.68 -0.32 0
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298699 117654060 1 N2O2C15H18 A2B2C15D18 -37.55 4.1 -8.12 0.14 0
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298700 117654063 1 SN4O5H26C27 AB4C5D26E27 -106.13 5.13 -8.62 -0.73 0
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298701 117654076 1 FN4O5H25C28 AB4C5D25E28 -141.14 5.48 -8.21 -0.87 0
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298702 117654080 1 NO7C29H33 AB7C29D33 -181.35 5.61 -9.26 -1.87 0
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298703 117654082 1 N5O5H25C27 A5B5C25D27 -77.01 3.96 -8.7 -0.89 0
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298704 117654103 2 ON3C6H7 AB3C6D7 37.88 4.01 -9.35 -0.87 0
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298705 117654130 1 ON3C9H11 AB3C9D11 39.34 2.97 -8.87 -0.48 0
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298706 117654155 1 N2O10C25H30 A2B10C25D30 -215.38 8.37 -9.77 -1.7 0
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298707 117654158 1 O4C19H22 A4B19C22 -161.09 5.35 -8.55 -0.09 0
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298708 117654162 1 ClO3C10H11 AB3C10D11 -116.98 3.25 -9.96 -1.1 0
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298709 117654176 1 O3C16H16 A3B16C16 -103.96 5.22 -8.38 -0.56 0
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298710 117654248 1 FN4O5H29C31 AB4C5D29E31 -124.25 2.07 -8.97 -1.6 0
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298711 117654269 1 O5C21H24 A5B21C24 -149.67 4.61 -9.08 -0.02 0
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298712 117654314 1 SN2O4C27H30 AB2C4D27E30 -129.88 6.04 -8.71 -0.46 0
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298713 117654332 1 O8C31H34 A8B31C34 -243.36 6.31 -9.23 -0.37 0
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298714 117654333 1 ClO6H23C25 AB6C23D25 -166.5 5.84 -9.2 -0.46 0
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298715 117654334 1 KO4C11H15 AB4C11D15 -245.14 7.18 -9.37 0.05 0
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298716 117654360 1 O3N5C22H23 A3B5C22D23 5.37 7.42 -8.67 -0.96 0
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298717 117654363 1 O3C17H18 A3B17C18 -68.59 4.42 -9.18 -0.06 0
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298718 117654415 1 FN2O3C29H29 AB2C3D29E29 -99.19 6.32 -8.62 -0.75 0
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298719 117654445 1 NO6C27H29 AB6C27D29 -160.27 6.65 -8.92 -0.34 0
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298720 117654488 1 CaSO5H22C23 ABC5D22E23 -78.8 2.84 -5.03 -1.42 0
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298721 117654546 1 SO5C27H28 AB5C27D28 -131.4 6.73 -8.63 -0.51 0
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298722 117654551 1 NO6C23H23 AB6C23D23 -134.99 1.78 -9.43 -0.45 0
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298723 117654571 1 ClN3C15H24 AB3C15D24 27.13 5.6 -8.2 0.23 0
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298724 117654604 4 O2C8H9 A2B8C9 -245.55 2.47 -9.14 -0.18 0
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298725 117654687 1 O2C11H18 A2B11C18 -107.57 5.25 -10.06 0.43 0
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298726 117654951 1 O2F3N4H9C14 A2B3C4D9E14 -139.4 8.06 -8.85 -1.23 0
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298727 117654982 1 IOSF4N4H11C20 ABCD4E4F11G20 -85.95 4.65 -9.32 -1.76 0
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298728 117654985 1 N3O5C12H13 A3B5C12D13 -165.96 7.95 -9.17 -1.06 0
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298729 117655004 1 O2F3N3H10C15 A2B3C3D10E15 -146.76 7.07 -9.86 -1.79 0
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298730 117655009 1 FN3O4C26H28 AB3C4D26E28 -176.4 8.25 -8.93 -0.78 0
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298731 117655010 1 SO3N4H24C27 AB3C4D24E27 -25.57 6.01 -8.62 -0.77 0
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298732 117655031 1 F2N3O4H33C34 A2B3C4D33E34 -194.89 4.02 -8.85 -0.77 0
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298733 117655090 1 ON5F6H13C22 AB5C6D13E22 -211.52 2.45 -9.29 -1.72 0
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298734 117655108 1 NO7C12H15 AB7C12D15 -209.96 2.95 -10.44 -1.56 0
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298736 117655201 1 N4O4H24C27 A4B4C24D27 -56.67 5.62 -8.75 -0.76 0
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298738 117655224 1 PO2H24C26 AB2C24D26 35.17 9.92 0.0 0.0 0
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298739 117655238 1 SN2F4O5C20H26 AB2C4D5E20F26 -423.8 11.06 -10.28 -1.1 0
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298740 117655268 1 O4N7H21C24 A4B7C21D24 -2.54 2.07 -9.26 -1.57 0
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298741 117655294 1 N3O3C13H13 A3B3C13D13 -43.28 8.0 -9.99 -1.45 1
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298742 117655338 1 NOC16H34 ABC16D34 -71.26 1.48 0.0 0.0 0
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298743 117655345 1 N2O6H22C25 A2B6C22D25 -174.32 1.95 -9.64 -0.92 0
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298744 117655349 2 ClHIC3 ABCD3 49.9 1.92 -9.67 -1.62 0
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298745 117655386 1 OF3N3C17H22 AB3C3D17E22 -188.48 5.74 -8.5 -0.58 0
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298746 117655388 1 NO3C11H13 AB3C11D13 41.43 5.59 -8.48 -0.44 1
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298747 117655397 1 NPO6C39H77 ABC6D39E77 -431.15 4.9 0.0 0.0 1
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298748 117655398 1 NPO6C39H77 ABC6D39E77 -436.09 4.65 0.0 0.0 0
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298749 117655402 1 ClON2C8H9 ABC2D8E9 -29.79 4.92 -8.72 -0.28 0
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298750 117655407 1 BrNO5H12C15 ABC5D12E15 -147.87 4.67 -9.39 -0.73 0
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298751 117655411 1 FSN2O4H17C18 ABC2D4E17F18 -90.62 3.56 -8.89 -1.05 0
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298752 117655419 1 BrPO3C28H30 ABC3D28E30 -51.19 3.02 -8.48 0.1 0
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298753 117655420 1 PO3C28H29 AB3C28D29 -28.78 4.21 -8.28 0.24 0
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298754 117655421 1 ClON5C26H34 ABC5D26E34 16.02 4.93 -8.66 -0.72 0
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298755 117655786 1 ClNO2C10H10 ABC2D10E10 -68.11 4.08 -9.98 -0.7 0
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298756 117655892 1 NO4C15H27 AB4C15D27 -236.38 5.45 -9.73 0.19 0
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298757 117655896 2 NC12H17 AB12C17 20.15 1.67 -8.15 0.34 0
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298759 117655930 2 ON2C7H11 AB2C7D11 -49.83 2.23 -9.5 -0.49 0
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298760 117655956 2 NO4C8H15 AB4C8D15 -414.08 2.99 -10.05 0.52 0
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298761 117655985 1 O3F5N5C20H20 A3B5C5D20E20 -228.75 4.45 -9.29 -1.01 0
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298762 117656047 1 SN4C24H38 AB4C24D38 -1.53 3.4 -8.87 -0.27 0
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298763 117656057 2 NOC4H5 ABC4D5 -36.35 1.0 -9.92 -1.0 0
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298764 117656058 1 NO2C8H11 AB2C8D11 -77.62 4.39 -9.74 -0.48 0
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298765 117656059 1 NC9H13 AB9C13 15.3 1.04 -8.16 0.9 0
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298766 117656201 1 OCl2F4N8C29H38 AB2C4D8E29F38 -182.13 4.93 -7.64 -0.44 0
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298768 117656393 1 O3N5C40H59 A3B5C40D59 -115.67 5.64 -8.38 0.71 0
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298771 117656433 2 NOH12C15 ABC12D15 74.35 6.48 -8.05 -1.44 0