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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9676 92238 1 N2O2C11H14 A2B2C11D14 -47.4 3.56 -9.02 -0.12 0
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9677 92244 2 CuO8H14C18 AB8C14D18 -366.43 35.07 -6.68 -4.23 0
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9678 92250 1 NOCl2H5C6 ABC2D5E6 -38.8 1.86 -8.55 -0.65 0
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9679 92253 1 ON2C18H28 AB2C18D28 -61.41 3.66 -8.76 0.33 0
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9680 92274 1 PO4C17H29 AB4C17D29 -268.21 3.54 -8.57 0.28 0
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9681 92275 2 O4C11H15 A4B11C15 -330.61 5.29 -9.32 -0.42 0
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9682 92282 1 N2O2H14C17 A2B2C14D17 11.85 2.17 -9.3 -1.0 0
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9683 92351 1 Cl3H5C10 A3B5C10 11.56 1.42 -9.26 -1.28 0
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9684 92353 1 Cl2O2H6C7 A2B2C6D7 -75.24 2.56 -9.51 -0.76 0
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9685 92363 1 NOC9H11 ABC9D11 -32.76 4.54 -8.88 -0.06 0
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9686 92368 3 ON2C3H6 AB2C3D6 -94.33 0.92 -9.56 -0.18 0
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9687 92370 1 ON2C11H24 AB2C11D24 -65.47 1.9 -8.87 0.34 0
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9688 92372 1 ON2C7H14 AB2C7D14 -18.79 4.81 -9.25 0.5 0
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9689 92375 2 NOC5H7 ABC5D7 12.56 2.86 -9.2 -0.87 0
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9690 92379 1 OCl3H7C12 AB3C7D12 -8.16 3.38 -9.1 -0.64 0
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9691 92381 1 NO4C7H15 AB4C7D15 -187.72 4.89 -9.4 1.45 0
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9692 92395 1 ClNF3O7H9C16 ABC3D7E9F16 -315.21 5.93 -10.54 -2.18 0
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9693 92416 1 ClO2N3C14H18 AB2C3D14E18 -39.49 4.76 -9.31 -0.41 0
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9695 92461 1 NOC10H17 ABC10D17 -67.21 4.3 -9.25 1.21 0
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9696 92465 1 NSH5C7O8 ABC5D7E8 -233.13 3.08 -11.48 -2.53 0
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9697 92467 1 ON2C10H14 AB2C10D14 -14.03 1.7 -8.1 0.1 0
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9698 92478 1 PSN2O4C7H19 ABC2D4E7F19 -253.7 4.66 -9.12 -0.5 0
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9699 92488 1 SN6O6H22C29 AB6C6D22E29 -41.65 4.72 -8.57 -1.64 0
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9700 92490 1 O2N3C21H43 A2B3C21D43 -73.83 4.98 -8.86 -0.34 0
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9701 92494 1 Cl2O2H6C7 A2B2C6D7 -74.21 2.56 -9.36 -0.73 0
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9702 92499 1 S2N4O13C27H36 A2B4C13D27E36 -501.51 8.36 -9.11 -0.58 0
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9703 92505 1 NOC13H13 ABC13D13 5.85 2.16 -8.28 0.05 0
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9704 92514 1 NC18H36 AB18C36 -18.56 2.18 0.0 0.0 1
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9705 92515 1 O3C12H16 A3B12C16 -72.55 2.64 -8.71 0.26 0
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9706 92517 1 ClPC3O6H10 ABC3D6E10 -363.01 3.64 -11.11 0.07 0
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9707 92519 1 OC16H18 AB16C18 -11.16 1.95 -9.45 0.2 0
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9708 92521 1 CaO5C6H12 AB5C6D12 -370.57 2.53 -10.58 1.18 0
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9709 92527 3 BrC3H3 AB3C3 14.65 1.65 -9.71 -1.19 0
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9710 92531 1 NSO3C16F17H20 ABC3D16E17F20 -984.73 17.86 -10.45 -0.48 0
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9711 92533 1 MnNaN2O7C10H15 ABC2D7E10F15 -144.38 14.36 0.0 0.0 0
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9712 92538 2 NOC9H9 ABC9D9 -5.31 2.6 -8.89 -1.44 0
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9713 92560 1 ClO2N3C7H10 AB2C3D7E10 -0.46 4.03 -10.18 -1.27 0
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9714 92564 1 O2C13H20 A2B13C20 -99.45 4.67 -9.63 -0.03 0
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9715 92565 1 NO2C16H17 AB2C16D17 -26.88 3.09 -9.16 -0.56 0
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9716 92566 1 SO7N9H27C33 AB7C9D27E33 -45.96 15.05 -8.54 -1.76 0
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9717 92567 1 ClSO3C7H7 ABC3D7E7 -113.05 6.06 -9.88 -1.04 0
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9718 92578 1 N3O3C8H11 A3B3C8D11 -7.35 1.71 -9.8 -1.51 0
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9719 92585 2 OC9H11 AB9C11 -61.35 1.76 -8.74 0.23 0
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9720 92590 3 ClHOC2 ABCD2 -133.41 2.42 -9.23 -0.74 0
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9721 92611 1 NaO3C5H9 AB3C5D9 -191.07 7.55 -9.42 0.29 0
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9722 92622 1 OC12H22 AB12C22 -57.96 1.73 -8.79 0.58 0
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9723 92636 1 OSC5H10 ABC5D10 -42.07 1.7 -8.62 0.25 0
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9724 92638 1 OSN4C12H20 ABC4D12E20 5.49 2.85 -9.0 -1.08 0
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9726 92656 1 NO4C12H17 AB4C12D17 -166.36 4.19 -10.29 -1.36 0
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9727 92657 1 NSO5C9H13 ABC5D9E13 -199.93 5.12 -8.96 -1.49 0
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9728 92658 2 OC7H11 AB7C11 -108.98 1.09 -8.96 1.5 0
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9729 92659 1 O2C11H20 A2B11C20 -131.67 2.48 -9.68 2.34 0
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9730 92660 1 OCl2N3C9H9 AB2C3D9E9 -8.04 3.86 -9.1 -0.84 0
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9731 92661 1 NO2C13H25 AB2C13D25 -120.97 2.34 -9.92 0.8 0
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9732 92678 1 N2O3C18H22 A2B3C18D22 -98.55 3.88 -8.74 -0.89 0
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9733 92688 2 Br2O2H5C6 A2B2C5D6 -145.08 3.29 -9.8 -1.25 0
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9734 92691 1 NC26H55 AB26C55 -122.64 1.9 -8.79 3.14 0
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9735 92863 1 NSO2C5H11 ABC2D5E11 -107.43 3.74 -9.56 -0.11 0
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9736 92865 1 N2O7C10H16 A2B7C10D16 -328.92 6.66 -10.58 -0.16 0
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9737 92885 1 O3C20H32 A3B20C32 -184.79 7.13 -9.66 0.71 0
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9738 92890 1 O2C9H10 A2B9C10 -69.69 0.79 -9.02 -0.01 0
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9739 92891 1 N3O3C4H9 A3B3C4D9 -136.66 6.16 -10.09 0.46 0
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9740 92901 1 SN2O5C17H20 AB2C5D17E20 -175.69 5.34 -9.1 -0.6 0
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9741 92916 1 Na4S4N5O12H15C26 A4B4C5D12E15F26 -516.12 28.58 -8.17 -1.97 0
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9742 92919 1 N5O5C12H17 A5B5C12D17 -147.78 10.45 -9.29 -0.29 0
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9743 92929 1 O6N7C20H21 A6B7C20D21 -163.39 5.5 -9.01 -1.62 0
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9744 92948 1 O2H10C11 A2B10C11 -26.63 2.88 -9.71 -1.01 0
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9745 92991 1 OC7H12 AB7C12 -63.69 3.16 -9.8 0.79 0
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9746 93011 1 ClNO2C6H10 ABC2D6E10 -96.33 4.07 -9.82 -0.44 0
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9747 93036 1 BrPN2O8C9H12 ABC2D8E9F12 -400.8 4.27 -9.86 -0.88 0
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9748 93045 1 O10C15H24 A10B15C24 -450.27 1.61 -10.01 0.28 0
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9749 93046 1 OC10H16 AB10C16 -20.6 2.91 -9.94 2.23 0
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9750 93052 1 O2C7H13 A2B7C13 -64.41 3.85 0.0 0.0 -1
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9751 93053 1 SBr2C4H8 AB2C4D8 -11.0 0.13 -9.23 -0.84 0
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9752 93056 1 OCl4C6H10 AB4C6D10 -96.48 1.68 -10.48 -0.12 0
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9753 93057 1 O2C21H28 A2B21C28 -101.67 7.5 -9.09 -0.27 0
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9754 93060 1 ON2C22H44 AB2C22D44 -107.3 3.53 -9.73 0.93 0
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9755 93065 1 C19H40 A19B40 -98.67 0.05 -10.45 3.95 0
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9756 93072 1 N2C5O5H8 A2B5C5D8 -224.71 4.57 -10.82 -0.43 0
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9757 93076 1 HO4C9F17 AB4C9D17 -1025.77 2.75 -12.21 -1.8 0
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9758 93080 3 OC3H6 AB3C6 -109.58 2.52 -9.89 1.08 0
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9759 93081 3 C5H8 A5B8 -12.63 1.25 -9.28 1.4 0
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9760 93082 1 P3N5C11O13H18 A3B5C11D13E18 -692.79 7.89 -9.54 -0.7 0
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9761 93083 2 NC2H4 AB2C4 24.11 4.75 -9.59 1.28 0
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9762 93086 1 NO4C9H9 AB4C9D9 -141.38 4.25 -9.66 -0.61 0
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9763 93087 1 ON2C5H12 AB2C5D12 -14.22 4.52 -9.3 0.48 0
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9764 93089 1 SO7C19H40 AB7C19D40 -356.49 3.38 -9.71 -1.01 0
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9765 93110 1 ClN2H6C7 AB2C6D7 61.88 1.72 0.0 0.0 1
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9766 93111 1 O3C7H10 A3B7C10 -110.43 4.34 -9.01 -0.42 0
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9767 93118 1 O3H18C20 A3B18C20 -65.41 2.12 -8.83 0.05 0
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9768 93129 1 NOH2Cl5C7 ABC2D5E7 -2.11 1.0 -9.74 -1.4 0
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9769 93136 1 O11C20H20 A11B20C20 -391.66 11.55 -9.14 -1.64 0
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9770 93164 1 N2C13H24 A2B13C24 -12.78 5.34 -9.25 0.83 0
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9771 93185 2 NOC2H4 ABC2D4 -36.26 4.83 -9.45 0.1 0
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9772 93197 1 PC2O5H9 AB2C5D9 -302.01 3.41 -10.05 0.58 0
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9773 93234 1 ClSN4H17C19 ABC4D17E19 114.35 3.51 -8.04 -0.71 0
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9774 93250 1 ClON2F4H11C17 ABC2D4E11F17 -182.47 4.92 -9.54 -1.11 0
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9775 93269 1 O2C5H12 A2B5C12 -113.28 2.67 -10.05 1.9 0
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9776 93273 1 PtN2C3O5H8 AB2C3D5E8 -112.67 5.0 -9.02 -1.2 0
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9777 93276 1 O9C21H32 A9B21C32 -353.72 1.45 -9.63 -0.43 0