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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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319579 126656699 1 ClPN6C17H18 ABC6D17E18 100.83 4.83 -8.11 -1.19 0
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319582 126656709 1 PSO2N4C18H23 ABC2D4E18F23 -37.38 5.46 -8.23 -0.53 0
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319584 126656717 1 ON5C10H19 AB5C10D19 46.44 2.61 -8.67 -0.52 0
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319586 126656724 1 SN3O6H15C17 AB3C6D15E17 -93.15 5.79 -9.21 -1.71 0
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319587 126656730 2 FSO3C8H11 ABC3D8E11 -349.85 2.46 -9.12 -1.14 0
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319588 126656737 2 NS2O5C9H19 AB2C5D9E19 -466.43 1.41 -9.53 -0.39 0
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319589 126656751 1 NS2O5C9H21 AB2C5D9E21 -233.47 2.91 -9.77 -0.28 0
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319591 126656757 1 NS2H3F4O4C6 AB2C3D4E4F6 -292.35 3.77 -9.55 -2.04 0
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319592 126656759 1 NF2S2O4H5C6 AB2C2D4E5F6 -208.1 1.8 -9.25 -1.68 0
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319593 126656761 1 NS2F6O6H9C10 AB2C6D6E9F10 -505.76 5.35 -8.78 -1.68 0
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319594 126656764 1 NC8H19 AB8C19 -39.36 2.17 -9.25 3.66 0
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319596 126656766 1 NC14H21 AB14C21 9.74 2.29 -8.18 0.56 0
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319597 126656767 1 SF3O3N4H21C22 AB3C3D4E21F22 -193.0 10.83 -9.12 -1.36 0
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319598 126656768 1 SF3N3O4C23H24 AB3C3D4E23F24 -242.28 9.83 -8.77 -1.32 0
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319599 126656769 1 ClFSO2N4C22H22 ABCD2E4F22G22 -30.9 7.44 -9.04 -1.17 0
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319600 126656770 1 NC14H27 AB14C27 -47.07 1.46 -8.63 3.24 0
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319603 126656774 1 FSN4O4C28H33 ABC4D4E28F33 -148.05 8.57 -8.79 -0.82 0
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319605 126656776 1 SF4N4O4C28H30 AB4C4D4E28F30 -296.66 13.13 -9.02 -1.27 0
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319606 126656777 1 SN3F4O4H25C26 AB3C4D4E25F26 -276.05 9.14 -9.06 -1.36 0
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319608 126656780 1 ON2C32H54 AB2C32D54 -58.83 4.44 -8.09 1.81 0
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319609 126656781 2 NC11H20 AB11C20 -10.79 2.91 -8.23 2.22 0
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319611 126656795 1 NC10H11 AB10C11 52.43 0.37 -8.15 0.04 0
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319612 126656796 1 NO5C22H25 AB5C22D25 -166.13 7.55 -8.46 -0.56 0
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319613 126656797 1 SF3N3O3H22C23 AB3C3D3E22F23 -166.39 9.11 -8.85 -1.36 0
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319614 126656802 1 NOC10H21 ABC10D21 -91.66 3.74 -10.2 1.28 0
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319615 126656805 1 NO6C22H23 AB6C22D23 -160.08 3.34 -8.24 -0.91 0
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319616 126656806 1 NO6C22H25 AB6C22D25 -193.38 4.79 -8.3 -0.59 0
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319618 126656810 2 NOC11H15 ABC11D15 -80.06 1.5 -8.14 -0.03 0
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319619 126656811 1 N3O3C25H33 A3B3C25D33 -44.08 4.17 -7.55 -0.34 0
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319621 126656817 1 NSO6C21H23 ABC6D21E23 -189.8 11.8 -8.47 -0.54 0
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319624 126656840 1 NOC13H17 ABC13D17 -20.5 0.67 -8.59 -0.49 0
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319625 126656843 1 O2N4C25H36 A2B4C25D36 -34.88 4.98 -8.26 -0.21 0
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319628 126656865 1 SN5O6C26H31 AB5C6D26E31 -199.8 13.2 -9.37 -1.11 1
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319631 126656870 1 FN2O2C15H17 AB2C2D15E17 -61.01 2.95 -9.85 -0.88 0
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319632 126656873 2 O2H21C28 A2B21C28 53.48 2.5 -8.39 -0.66 0
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319633 126656876 1 OC16H18 AB16C18 78.33 1.29 -8.56 -0.51 0
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319635 126656879 1 SO3N9C25H37 AB3C9D25E37 -71.02 7.44 -8.52 -0.13 0
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319637 126656882 1 FN2O2C13H13 AB2C2D13E13 -49.24 2.6 -10.18 -1.17 0
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319638 126656883 1 FN2O2H9C11 AB2C2D9E11 -42.18 2.94 -10.16 -1.1 0
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319639 126656894 1 FON3C12H12 ABC3D12E12 -1.4 3.08 -9.81 -1.06 0
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319640 126656901 1 NC11H23 AB11C23 -25.21 2.08 -8.46 1.57 0
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319641 126656904 1 NPO2C26H30 ABC2D26E30 -77.66 5.32 -9.49 -0.26 0
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319642 126656907 1 FON2H13C14 ABC2D13E14 -26.17 3.27 -9.8 -1.04 0
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319644 126656909 1 NOSC9H19 ABCD9E19 -90.58 4.43 -8.88 0.29 0
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319645 126656913 1 S2P3N13O28C70H114 A2B3C13D28E70F114 -1419.49 9.09 -9.19 -0.89 0
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319647 126656915 1 NSO2C22H37 ABC2D22E37 -134.17 2.96 -8.56 0.1 0
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319650 126656920 1 N2O4C13H26 A2B4C13D26 -214.36 2.31 -9.82 0.61 0
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319651 126656922 1 NC14H29 AB14C29 -43.08 1.28 -8.63 1.27 0
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319652 126656924 1 NC16H33 AB16C33 -42.98 1.31 -8.33 1.49 0
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319655 126656934 1 N2O3C27H48 A2B3C27D48 -191.19 3.59 -8.28 0.55 0