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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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215434 85084728 1 N9O11C45H67 A9B11C45D67 -525.18 9.71 -9.25 0.0 0
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215435 85084729 1 N9O11C46H57 A9B11C46D57 -400.13 8.52 -8.92 -0.8 0
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215436 85084730 1 S2N9O12C39H61 A2B9C12D39E61 -570.91 11.3 -9.28 -0.23 0
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215437 85084731 1 O8N9C49H69 A8B9C49D69 -366.96 11.48 -8.44 0.04 0
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215438 85084732 1 O17C47H76 A17B47C76 -827.98 6.53 -9.52 0.3 0
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215439 85084734 1 N9O9C47H79 A9B9C47D79 -461.34 7.64 -9.33 -0.25 0
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215440 85084735 1 SN11O11C41H63 AB11C11D41E63 -485.96 6.99 -8.85 -0.18 0
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215441 85084736 1 Cl3O13C45H63 A3B13C45D63 -507.64 10.42 -6.88 -2.08 0
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215442 85084740 2 BrO6H21C22 AB6C21D22 -387.47 4.8 -9.0 -0.98 0
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215443 85084742 1 N6O21C37H58 A6B21C37D58 -956.95 5.37 -9.13 -0.49 0
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215444 85084743 1 SO9N10C45H66 AB9C10D45E66 -385.2 6.43 -8.69 -0.4 0
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215445 85084744 1 O8N10C47H90 A8B10C47D90 -503.8 6.45 -9.56 -0.02 0
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215446 85084745 1 N5O8C55H65 A5B8C55D65 -283.89 7.0 -9.01 -0.56 0
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215447 85084746 1 S2O7N9C47H57 A2B7C9D47E57 -249.11 10.01 -8.7 -0.64 0
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215448 85084747 1 N9O9C47H89 A9B9C47D89 -537.01 7.75 -9.4 0.01 0
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215449 85084748 1 O16C51H56 A16B51C56 -610.37 3.91 -9.98 -0.76 0
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215450 85084749 4 O3C14H15 A3B14C15 -360.45 3.34 -9.22 0.13 2
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215451 85084751 1 N2O3C49H100 A2B3C49D100 -220.49 2.88 -7.22 1.35 -3
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215452 85084752 1 OSbBr2N4H32C45 ABC2D4E32F45 381.43 4.69 0.0 0.0 0
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215453 85084756 1 NO14C51H75 AB14C51D75 -668.96 4.3 -9.04 -0.75 0
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215454 85084757 2 N5O7C21H29 A5B7C21D29 -543.99 4.39 -8.22 -1.62 0
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215455 85084759 1 O17C48H78 A17B48C78 -834.47 7.0 -9.4 -0.18 0
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215456 85084760 1 SO7N11C47H65 AB7C11D47E65 -279.25 10.17 -8.39 -0.37 0
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215457 85084761 1 O18C47H76 A18B47C76 -756.89 4.53 -8.27 0.27 0
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215458 85084763 1 PSN5O13C45H52 ABC5D13E45F52 -544.22 12.42 -8.81 -1.02 -2