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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150734 53790430 1 ON3C22H23 AB3C22D23 25.99 3.86 -8.26 -0.07 0
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150735 53790431 1 O2N7C31H39 A2B7C31D39 28.17 6.19 -9.64 -0.9 0
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150736 53790432 1 NOC9H15 ABC9D15 -52.44 2.44 -9.01 0.63 0
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150737 53790433 1 N2O5H22C24 A2B5C22D24 -122.77 4.46 -8.45 -0.91 0
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150738 53790434 1 O4N6C19H24 A4B6C19D24 -102.63 2.63 -8.56 -0.1 0
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150739 53790435 1 NSO4C16H19 ABC4D16E19 -119.45 6.93 -8.9 -0.56 0
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150740 53790436 1 NSO4C11H15 ABC4D11E15 -107.68 2.46 -9.07 -0.82 0
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150741 53790437 1 NO15C45H51 AB15C45D51 -494.49 1.56 -8.91 -0.78 0
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150742 53790438 4 NO3C6H6 AB3C6D6 -296.33 4.4 -10.26 -1.4 0
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150743 53790439 2 O2H5C7 A2B5C7 -99.35 3.58 -9.32 -1.25 0
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150744 53790440 4 C7H12 A7B12 -58.7 0.88 -9.03 0.24 0
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150745 53790441 1 PO6C16H35 AB6C16D35 -391.84 3.34 -9.68 0.76 0
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150746 53790442 1 N5O6C36H41 A5B6C36D41 -195.27 9.12 -9.47 -1.07 0
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150747 53790443 1 SO4C20H38 AB4C20D38 -257.5 2.33 -8.9 0.27 0
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150748 53790444 1 NO2C23H27 AB2C23D27 -35.47 5.03 -9.26 -0.09 0
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150749 53790445 1 FN4O4C39H45 AB4C4D39E45 -137.29 6.31 -9.35 -0.42 0
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150750 53790446 1 O6C13H20 A6B13C20 -280.85 6.71 -10.24 0.06 0
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150751 53790447 2 NOSC6H10 ABCD6E10 -90.51 4.64 -8.23 -0.89 0
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150752 53790448 1 BrNO3C23H24 ABC3D23E24 -51.29 3.39 -8.35 -0.57 0
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150753 53790449 1 SN2C8H10 AB2C8D10 48.17 0.98 -8.52 -0.32 0
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150754 53790450 1 FN3O6C31H32 AB3C6D31E32 -227.05 4.94 -8.77 -0.51 0
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150755 53790451 1 SCl2N6O7H16C19 AB2C6D7E16F19 -143.0 4.01 -9.74 -1.18 0
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150756 53790452 1 NPO6C28H32 ABC6D28E32 -263.8 3.17 -9.2 -0.63 0
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150757 53790453 1 O3C19H30 A3B19C30 -144.17 1.64 -8.72 0.34 0
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150758 53790454 1 NF3C15H20 AB3C15D20 -145.97 4.09 -8.79 -0.32 0
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150759 53790455 1 ON3H15C19 AB3C15D19 79.92 3.58 -8.61 -1.51 0
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150760 53790456 1 O5C16H24 A5B16C24 -206.38 6.1 -9.14 -0.7 0
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150761 53790457 1 O9C28H40 A9B28C40 -404.7 3.96 -9.61 -0.4 0
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150762 53790458 2 C7H10 A7B10 2.66 1.11 -8.83 0.15 0
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150763 53790459 1 NCl2O2H9C11 AB2C2D9E11 -57.63 6.77 -9.96 -1.04 0
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150764 53790460 1 BrNO2F4H10C17 ABC2D4E10F17 -184.37 4.31 -9.17 -1.4 0
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150765 53790461 1 S2N4O5C26H26 A2B4C5D26E26 -81.63 5.92 -9.4 -1.59 0
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150766 53790462 1 N2O3C21H26 A2B3C21D26 -89.87 1.68 -7.79 -0.48 0
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150767 53790463 1 S3N5O11C16H19 A3B5C11D16E19 -374.47 14.89 -9.31 -1.34 0
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150768 53790464 1 ClNO2C14H26 ABC2D14E26 -91.28 2.96 -8.44 0.4 0
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150769 53790465 1 ClON3C16H18 ABC3D16E18 23.26 7.03 -8.32 -1.29 0
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150770 53790466 1 N4O5C31H40 A4B5C31D40 -183.35 8.19 -8.29 0.28 0
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150771 53790467 1 Cl2N2O3C23H24 A2B2C3D23E24 -72.74 3.87 -9.11 -0.49 0
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150772 53790468 1 Cl2N2O3C23H24 A2B2C3D23E24 -72.53 1.98 -9.05 -0.44 0
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150773 53790469 1 ClOF2N3H10C11 ABC2D3E10F11 -85.65 2.98 -8.35 -0.08 0
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150774 53790470 1 O3H10C12 A3B10C12 -46.4 5.85 -9.56 -1.03 1
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150775 53790471 1 N3O3H18C20 A3B3C18D20 -51.4 10.09 0.0 0.0 0
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150776 53790472 3 OC7H10 AB7C10 -168.83 1.97 -8.96 0.34 0
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150777 53790473 1 N2C7H18 A2B7C18 -23.19 1.89 -8.88 2.78 0
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150778 53790474 1 NOC16H27 ABC16D27 -61.73 2.35 -8.08 0.6 0
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150779 53790475 1 F3N3O3C21H22 A3B3C3D21E22 -227.44 4.61 -9.82 -1.0 0
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150780 53790476 1 O3N4C12H30 A3B4C12D30 -138.37 4.4 -9.05 1.84 0
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150781 53790477 2 NO3C11H14 AB3C11D14 -220.01 2.84 -9.72 -1.14 0
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150782 53790478 1 FN2O7C39H49 AB2C7D39E49 -299.01 6.97 -8.78 -0.18 0
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150783 53790479 1 N2S2O3C10H14 A2B2C3D10E14 -71.82 5.52 -9.36 -1.62 0