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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383690 134975553 1 NS3C8H11 AB3C8D11 22.07 5.42 -7.88 -0.83 0
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383691 134975554 1 NOS2H9C11 ABC2D9E11 36.29 4.29 -8.98 -1.86 0
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383692 134975558 1 BrO3C14H19 AB3C14D19 -112.49 1.78 -9.67 -0.34 0
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383693 134975561 1 SeN3H13C14 AB3C13D14 121.85 2.94 -8.64 -0.56 0
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383694 134975562 2 OC6H7 AB6C7 -51.12 4.27 -9.55 -0.43 0
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383695 134975563 1 O7C10H10 A7B10C10 -247.02 3.07 -10.7 -1.28 0
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383696 134975567 1 OLi2C3H4 AB2C3D4 -37.85 4.62 -7.33 2.96 0
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383698 134975569 1 PN2O3C13H23 AB2C3D13E23 -185.74 4.83 -9.02 0.02 0
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383699 134975570 1 ClOH9C12 ABC9D12 -1.29 2.74 -9.51 -0.33 0
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383700 134975573 1 SO2C12H18 AB2C12D18 -71.08 4.01 -8.29 -0.03 0
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383701 134975574 1 NO2C13H21 AB2C13D21 -18.71 6.08 -9.94 0.37 0
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383702 134975575 1 LiNC7H10 ABC7D10 13.43 8.55 -7.64 2.58 0
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383703 134975576 1 O2C15H30 A2B15C30 -150.98 1.94 -9.49 0.8 0
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383704 134975577 1 OSC9H16 ABC9D16 -69.15 3.42 -8.48 0.53 0
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383705 134975578 1 N2O2C13H26 A2B2C13D26 -131.92 4.6 -9.24 1.15 0
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383706 134975579 1 BrClC9H16 ABC9D16 -25.83 2.84 -9.95 -0.23 0
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383707 134975580 1 BrClC9H14 ABC9D14 -16.98 2.81 -9.92 -0.21 0
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383708 134975582 1 LiO2C8H13 AB2C8D13 -76.3 7.17 -7.42 2.89 0
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383709 134975583 2 OC7H15 AB7C15 -149.55 2.78 -9.67 2.16 0
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383710 134975584 1 FN2C14H19 AB2C14D19 -15.93 4.49 -9.68 -0.4 0
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383711 134975585 1 ClN4H7C13 AB4C7D13 137.87 3.59 -9.03 -1.41 0
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383712 134975586 1 NaO2C4H7 AB2C4D7 -112.08 7.19 -7.14 0.36 0
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383714 134975588 2 OC8H10 AB8C10 -27.75 2.86 -9.13 -0.22 0
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383715 134975590 2 NH5C6 AB5C6 95.93 0.04 -9.18 -1.1 0
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383716 134975591 1 NaPSN2C3H6 ABCD2E3F6 -74.07 4.6 -8.51 0.18 0
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383717 134975594 1 NSi2C15H27 AB2C15D27 -43.84 1.16 -7.94 -0.08 0
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383718 134975598 1 ClOPH10C14 ABCD10E14 49.26 2.86 -8.93 -0.54 0
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383719 134975599 1 O4C11H16 A4B11C16 -171.06 1.91 -9.46 0.27 0
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383720 134975600 1 FPC12H14 ABC12D14 -21.87 2.09 -9.07 -0.01 0
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383721 134975601 1 SiC15H32 AB15C32 -74.86 0.32 -9.06 0.99 0
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383722 134975602 1 LiNH6C9 ABC6D9 111.58 11.67 -6.78 0.73 0
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383723 134975606 1 O3C6H10 A3B6C10 -92.43 2.98 -8.99 0.92 0
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383725 134975608 1 LiSC5H7 ABC5D7 31.45 6.27 -7.18 1.53 0
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383726 134975610 1 OC14H18 AB14C18 -42.07 3.71 -9.46 0.27 0
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383727 134975611 1 SO2C11H16 AB2C11D16 -72.84 3.34 -8.18 0.06 0
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383728 134975612 1 ON2C7H16 AB2C7D16 -36.1 2.35 -8.73 0.83 0
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383729 134975613 1 BNSiC12H19 ABCD12E19 122.12 7.29 0.0 0.0 0
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383730 134975615 1 NC14H25 AB14C25 -15.5 1.7 -8.23 1.5 0
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383731 134975616 1 O3C13H20 A3B13C20 -157.39 4.45 -10.05 0.42 0
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383732 134975618 2 O3C5H9 A3B5C9 -276.69 4.95 -10.34 0.4 0
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383733 134975619 1 NOC14H21 ABC14D21 -57.29 3.45 -9.32 0.44 0
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383734 134975620 1 NO3C11H15 AB3C11D15 -103.93 8.83 -10.55 -1.11 0
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383735 134975622 1 O2Cl3C8H13 A2B3C8D13 -147.21 2.93 -11.06 -0.49 0
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383736 134975623 1 NCl3H6C10 AB3C6D10 50.67 3.78 -10.08 -0.92 0
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383737 134975625 1 BrNOC12H12 ABCD12E12 33.11 4.3 -9.95 -0.66 0
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383738 134975626 1 BrNOC10H12 ABCD10E12 20.81 1.71 -9.19 -0.38 1
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383739 134975628 1 CsC5H5 AB5C5 15.64 13.78 -6.3 -0.34 0
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383740 134975631 1 NO4C12H17 AB4C12D17 -175.79 2.91 -9.07 0.79 0
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383741 134975633 1 LiO3C10H17 AB3C10D17 -109.07 6.11 -7.58 1.71 0
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383742 134975636 1 OC10H16 AB10C16 -61.2 2.0 -9.9 1.08 0
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383743 134975639 2 OC6H11 AB6C11 -110.62 0.35 -9.97 1.53 0
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383744 134975641 1 ClOC11H19 ABC11D19 -79.86 0.73 -9.56 0.63 0
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383745 134975643 1 NC10H19 AB10C19 -7.77 1.57 -8.71 1.3 0
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383746 134975645 1 NO2C11H19 AB2C11D19 -120.98 6.0 -9.58 1.07 0
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383747 134975646 1 LiNC11H14 ABC11D14 6.7 6.93 -7.06 1.26 0
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383748 134975647 1 LiNO3C10H16 ABC3D10E16 -166.93 5.23 -7.66 0.58 0
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383749 134975648 1 NO3C10H17 AB3C10D17 -140.76 2.99 -9.24 0.66 0
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383750 134975650 1 NOC12H17 ABC12D17 -15.78 2.25 -7.82 0.44 0
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383751 134975651 1 LiOSiC6H13 ABCD6E13 -89.56 4.87 -7.4 1.62 0
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383752 134975655 1 FCl2O3H9C10 AB2C3D9E10 -167.21 2.87 -9.99 -1.23 0
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383753 134975656 1 ClNO4C7H12 ABC4D7E12 -124.73 4.75 -11.13 -1.05 0
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383754 134975660 1 SO3C9H10 AB3C9D10 -66.51 5.03 -10.08 -0.3 0
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383755 134975663 1 O3C12H16 A3B12C16 -91.1 2.69 -9.26 0.33 0
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383756 134975664 1 N3O5C10H15 A3B5C10D15 -159.71 1.22 -10.18 -0.53 0
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383757 134975668 1 ClOPSiC11H14 ABCDE11F14 -142.53 2.26 -8.27 -0.43 0
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383758 134975669 1 NO2C15H21 AB2C15D21 -79.23 1.41 -8.14 0.2 0
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383759 134975671 2 HLiC2 ABC2 164.81 9.44 -4.54 0.79 0
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383760 134975675 1 OC9H16 AB9C16 -65.57 1.98 -10.3 2.83 0
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383761 134975676 1 SO2C13H18 AB2C13D18 -68.49 5.37 -8.96 0.1 0
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383762 134975679 1 OC13H26 AB13C26 -101.08 3.07 -9.92 0.82 0
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383763 134975680 1 NO2C15H21 AB2C15D21 -86.73 5.71 -9.61 -0.07 0
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383764 134975681 1 NOSiC9H21 ABCD9E21 -99.86 3.72 -8.91 1.35 0
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383766 134975683 1 O2C15H22 A2B15C22 -88.17 4.8 -9.67 -0.25 0
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383767 134975684 1 LiOC11H21 ABC11D21 -40.61 12.84 -6.27 0.96 0
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383768 134975685 1 OC11H22 AB11C22 -85.02 0.64 -8.95 1.3 0
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383769 134975686 1 O4C15H24 A4B15C24 -197.78 4.06 -9.51 -0.34 0
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383770 134975687 1 NOC11H23 ABC11D23 -59.44 0.61 -8.61 1.98 0
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383771 134975688 1 ClNO2H6C9 ABC2D6E9 -19.54 4.59 -10.02 -1.24 0
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383772 134975689 1 NOC12H17 ABC12D17 -37.78 1.33 -8.42 0.62 0
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383773 134975693 1 SiO2C10H20 AB2C10D20 -101.54 2.01 -8.11 0.48 0
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383774 134975694 1 BrNO4C11H20 ABC4D11E20 -211.08 2.62 -10.26 -0.96 0
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383775 134975698 4 OC3H3 AB3C3 -144.87 3.99 -9.38 -0.41 0
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383776 134975699 1 ClON4C12H13 ABC4D12E13 37.23 5.0 -10.11 -1.28 0
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383777 134975700 1 PWO6H17C19 ABC6D17E19 -141.88 7.17 -7.57 -0.19 0
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383780 134975709 1 OSeC14H20 ABC14D20 -31.73 3.2 -8.48 -0.34 0
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383781 134975711 1 LiO2C7H11 AB2C7D11 -84.54 5.83 -6.53 1.96 0
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383782 134975712 1 MgN2C4H12 AB2C4D12 -5.94 3.16 -8.2 0.87 0
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383783 134975713 1 LiC7H9 AB7C9 101.53 6.36 -8.17 3.62 0
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383784 134975714 1 LiC9H15 AB9C15 10.75 6.53 -7.24 2.13 0
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383785 134975715 1 LiH2O2F3C7 AB2C2D3E7 -175.54 6.44 -8.25 -0.89 0
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383786 134975716 1 OSiC12H22 ABC12D22 -97.78 0.58 -8.92 1.19 0
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383787 134975717 2 OC6H9 AB6C9 -95.48 2.33 -10.01 0.67 0
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383788 134975721 1 NC8H17 AB8C17 -22.34 1.73 -8.41 1.54 0
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383789 134975722 1 NOSSiC13H23 ABCDE13F23 -83.68 4.63 -8.65 -0.21 0
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383790 134975723 1 NOSeC15H21 ABCD15E21 -26.02 5.91 -7.58 -0.09 0
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383791 134975724 1 LiO2C6H9 AB2C6D9 -118.8 3.79 -7.49 2.25 0
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383792 134975726 1 BrClC11H20 ABC11D20 -36.15 2.65 -9.94 -0.23 0
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383793 134975727 1 O2Cl3C9H15 A2B3C9D15 -148.82 2.69 -11.11 -0.54 0
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383794 134975728 3 OC5H6 AB5C6 -91.29 2.01 -9.44 0.21 0
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383795 134975730 1 O2F3C10H13 A2B3C10D13 -237.96 5.04 -10.88 -0.18 0