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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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5688 13492 1 NO4C24H31 AB4C24D31 -126.32 2.98 -8.18 0.0 0
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5689 13493 1 O3N4C22H28 A3B4C22D28 2.64 11.55 -8.99 -1.13 0
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5690 13494 1 O4N6C19H22 A4B6C19D22 -38.01 10.71 -9.54 -1.19 0
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5691 13496 1 ON2C15H20 AB2C15D20 28.9 1.96 -8.66 -0.67 0
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5692 13497 1 ON2C21H26 AB2C21D26 7.32 3.38 -8.6 0.06 0
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5693 13498 2 NO4C11H14 AB4C11D14 -304.77 8.03 -9.13 -0.19 0
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5694 13500 1 ClNO7C22H24 ABC7D22E24 -238.82 5.22 -8.66 -0.74 0
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5695 13501 1 NO7C22H23 AB7C22D23 -201.32 6.08 -8.47 -0.57 0
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5696 13506 1 N2Na3S3O10H11C20 A2B3C3D10E11F20 -457.81 5.66 -8.82 -1.74 0
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5697 13507 1 N2S3O10H14C20 A2B3C10D14E20 -284.63 6.15 -9.34 -2.28 0
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5698 13509 2 PC23H25 AB23C25 159.13 20.08 -5.5 -1.25 2
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5699 13510 1 CNNaO ABCD -41.76 12.39 -8.45 -0.29 0
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5701 13513 1 ClOC4H7 ABC4D7 -59.38 1.71 -10.31 -0.22 0
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5702 13514 1 OC3Cl3H3 AB3C3D3 -63.65 2.8 -10.81 -0.93 0
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5703 13515 1 NaSC2O4H5 ABC2D4E5 -214.28 6.88 -9.74 0.39 0
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5704 13516 1 SC2O4H6 AB2C4D6 -175.34 3.96 -10.88 -0.4 0
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5706 13518 2 HOC3F6 ABC3D6 -699.45 2.59 -12.58 -0.81 0
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5707 13519 1 OC6H12 AB6C12 -52.49 1.9 -10.07 1.25 0
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5708 13520 1 Li3H5C6O7 A3B5C6D7 -441.34 11.28 -9.58 0.79 0
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5709 13521 1 NSiO3C9H23 ABC3D9E23 -250.53 3.71 -9.04 0.92 0
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5710 13522 1 NSiO3C9H19 ABC3D9E19 -220.83 4.77 -10.04 0.78 0
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5711 13536 2 OC2H2 AB2C2 -23.88 1.97 -11.36 -0.3 0
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5712 13537 2 N2C3O3H5 A2B3C3D5 -101.84 2.2 -11.06 -1.18 0
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5713 13538 2 NOC2H3 ABC2D3 -57.59 2.77 -10.52 -0.12 0
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5714 13541 1 O2C15H32 A2B15C32 -153.1 2.45 -9.79 2.07 0
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5715 13542 1 ON2C8H18 AB2C8D18 -28.29 4.45 -9.25 0.52 0
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5716 13543 1 NO2C4H7 AB2C4D7 -74.88 2.92 -10.46 -0.11 0
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5717 13544 1 NO2C4H9 AB2C4D9 -37.18 3.02 -9.97 -0.42 0
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5718 13545 1 ON2C4H10 AB2C4D10 -7.73 4.56 -9.4 0.45 0
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5719 13546 2 OC3H5 AB3C5 -94.47 2.48 -10.28 0.05 0
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5720 13547 1 ClN5C6H16 AB5C6D16 -26.47 5.21 -9.47 -0.06 0
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5721 13548 1 N5C6H15 A5B6C15 13.1 1.53 -8.98 0.37 0
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5722 13550 2 OC3H5 AB3C5 -83.35 1.38 -10.88 -0.3 0
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5723 13552 1 O2C7H14 A2B7C14 -122.43 2.04 -10.75 0.89 0
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5724 13553 1 NO3C5H11 AB3C5D11 -61.5 3.63 -11.56 -0.87 0
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5725 13554 1 AsCl2C3H7 AB2C3D7 -56.49 3.45 -9.88 -0.88 0
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5726 13556 2 ClC2H3 AB2C3 -20.83 2.5 -9.96 -0.08 0
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5727 13557 1 OC5H10 AB5C10 -44.74 1.28 -9.27 1.33 0
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5728 13559 1 S2N4C7H14 A2B4C7D14 64.06 2.0 -9.24 -0.49 0
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5730 13599 1 SH2N2O2C3 AB2C2D2E3 41.05 4.04 -10.38 -1.82 0
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5731 13601 2 OC3H6 AB3C6 -116.68 3.35 -10.16 2.32 0
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5732 13602 1 NOC6H7 ABC6D7 15.7 3.73 -8.98 -0.51 0
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5733 13604 2 NC3H6 AB3C6 -0.49 2.84 -9.06 1.25 0
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5734 13606 1 NH5C7 AB5C7 74.1 2.81 -9.67 -0.3 0
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5735 13609 2 C4H7 A4B7 -8.08 0.37 -9.35 1.53 0
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5736 13610 1 NOC7H11 ABC7D11 -37.1 5.22 -10.84 0.96 0
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5737 13625 1 NOSH5C7 ABCD5E7 -15.44 4.11 -9.11 -0.55 0
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5738 13626 1 ClOSC7H7 ABCD7E7 -11.75 3.98 -8.62 -0.51 0
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5739 13628 1 C5N5H9 A5B5C9 31.94 1.39 -9.6 0.04 0
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5740 13639 1 N2C9H10 A2B9C10 47.22 2.57 -9.18 -0.21 0