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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