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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81445 49854734 1 SN5O5C22H27 AB5C5D22E27 -87.08 9.4 -9.29 -1.1 0
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81446 49854735 1 SN4O6C23H26 AB4C6D23E26 -125.37 8.74 -9.21 -1.28 0
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81447 49854736 1 N4H10C15 A4B10C15 148.21 2.41 -9.28 -1.88 0
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81448 49854737 1 ClN3H10C16 AB3C10D16 110.78 7.05 -8.96 -0.88 0
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81449 49854738 1 N3H13C16 A3B13C16 97.49 3.55 -8.78 -0.28 0
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81450 49854739 1 ION3H16C18 ABC3D16E18 95.4 7.79 -8.2 -1.36 1
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81451 49854740 1 ON3H16C18 AB3C16D18 78.59 4.82 0.0 0.0 0
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81452 49854742 1 ON3H13C17 AB3C13D17 79.77 3.85 -8.47 -0.72 0
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81453 49854743 1 FON3H12C17 ABC3D12E17 33.92 6.45 -8.58 -0.77 0
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81454 49854744 1 ON3H13C17 AB3C13D17 78.24 3.53 -8.49 -0.92 0
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81455 49854745 1 ON2C20H30 AB2C20D30 -16.55 4.48 -7.9 0.56 0
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81456 49854746 1 N4O5C21H26 A4B5C21D26 -183.84 3.37 -9.2 -0.43 0
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81457 49854747 1 N5O5C25H27 A5B5C25D27 -138.85 5.64 -9.09 -0.72 0
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81458 49854749 2 NC11H13 AB11C13 58.88 2.63 -8.24 0.24 0
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81459 49854751 2 NC10H11 AB10C11 62.86 2.07 -8.18 0.11 0
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81460 49854752 2 N2O3C9H10 A2B3C9D10 -200.12 9.4 -9.31 -1.26 0
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81461 49854753 1 N4O4C19H22 A4B4C19D22 -109.53 9.33 -9.18 -0.49 0
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81462 49854754 1 BrN4O4C16H17 AB4C4D16E17 -108.37 5.86 -9.32 -0.81 0
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81463 49854756 1 FN4O5C18H19 AB4C5D18E19 -199.4 5.86 -9.67 -1.46 0
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81464 49854757 1 O3N5C23H31 A3B5C23D31 -76.63 2.56 -8.74 -0.32 0
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81465 49854758 1 O3N5C17H19 A3B5C17D19 -55.37 6.57 -9.2 -0.81 0
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81466 49854759 2 N2O5C12H14 A2B5C12D14 -226.06 7.77 -8.55 -1.88 0
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81467 49854760 1 ClN2O4F6H23C24 AB2C4D6E23F24 -473.05 2.97 -9.21 -1.46 0
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81468 49854761 1 N2O4F6C27H28 A2B4C6D27E28 -476.96 2.3 -9.34 -1.08 0
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81469 49854762 2 NO2F3C13H14 AB2C3D13E14 -483.32 4.36 -8.99 -1.06 0
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81470 49854763 1 F3N3O4C18H18 A3B3C4D18E18 -244.54 10.14 -8.84 -1.04 0
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81471 49854764 1 Cl2N3O3H21C23 A2B3C3D21E23 -45.36 8.0 -8.81 -0.99 0
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81472 49854765 1 N2O5H24C29 A2B5C24D29 -102.47 12.47 -9.34 -1.27 0
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81473 49854766 1 N3O6H23C27 A3B6C23D27 -114.93 10.12 -9.36 -1.3 0
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81474 49854767 1 N3O5H23C28 A3B5C23D28 -93.23 12.48 -9.34 -1.26 0
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81475 49854768 1 FSN5O6C21H24 ABC5D6E21F24 -180.99 5.71 -7.76 -0.22 0
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81476 49854769 1 BrSO4N5C19H20 ABC4D5E19F20 -68.85 8.32 -8.18 -0.36 0
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81477 49854770 1 FSN5O5C20H22 ABC5D5E20F22 -146.31 1.15 -8.5 -0.76 0
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81478 49854771 1 BrSO4N6C26H33 ABC4D6E26F33 -86.18 9.89 -8.12 -0.28 0
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81479 49854772 1 ClSN5O6C21H24 ABC5D6E21F24 -147.52 9.2 -7.71 -0.39 0
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81480 49854773 1 SN4O6C26H32 AB4C6D26E32 -170.76 2.78 -9.15 -1.32 0
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81481 49854774 1 SN4O6C24H36 AB4C6D24E36 -224.05 4.14 -9.53 -0.67 0
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81482 49854775 1 SN2O6C27H34 AB2C6D27E34 -229.54 4.73 -9.2 -0.6 0
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81483 49854776 1 NS2O6C26H31 AB2C6D26E31 -220.58 6.41 -9.29 -1.27 0
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81484 49854777 1 N2O3C24H28 A2B3C24D28 -58.43 3.24 -8.64 -0.03 -2
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81485 49854778 1 SN2O16C38H72 AB2C16D38E72 -772.77 7.88 -8.99 -0.89 0
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81486 49854779 1 NaPN2O16C38H74 ABC2D16E38F74 -944.78 6.97 -8.62 0.22 2
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81488 49854781 1 SN4O4C8H14 AB4C4D8E14 -95.29 5.39 -9.19 -0.62 0
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81489 49854782 1 SN4O5C24H24 AB4C5D24E24 -79.27 7.03 -9.07 -1.17 0
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81490 49854783 1 FSN4O5H21C23 ABC4D5E21F23 -111.85 7.68 -9.31 -1.31 0
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81491 49854784 1 FSN4O5H21C23 ABC4D5E21F23 -124.17 7.7 -8.85 -1.51 0
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81492 49854786 1 FSN4O4H17C22 ABC4D4E17F22 -56.44 11.13 -8.88 -1.39 0
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81494 49854788 1 O3C27H40 A3B27C40 -123.81 4.86 -9.36 0.35 0
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81495 49854789 1 PSiO2C26H39 ABC2D26E39 -150.17 4.39 -8.99 -0.21 0
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81496 49854790 1 PSiO2C26H39 ABC2D26E39 -152.05 3.95 -8.65 -0.18 0