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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216723 85086672 1 BrNOC14H18 ABCD14E18 -39.81 2.35 -8.82 -0.3 0
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216724 85086674 1 N2O6C13H18 A2B6C13D18 -256.02 4.29 -10.26 -0.69 0
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216725 85086675 1 LiSN2O2C15H19 ABC2D2E15F19 -57.34 14.58 -6.32 0.01 0
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216726 85086676 1 SN2O2C15H20 AB2C2D15E20 -68.6 7.02 -8.91 -0.61 0
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216727 85086677 1 N2O5C14H20 A2B5C14D20 -170.34 6.13 -8.94 -1.16 0
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216728 85086683 1 O3C19H20 A3B19C20 -70.02 1.24 -8.55 0.22 0
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216729 85086684 1 O3C19H20 A3B19C20 -82.15 1.68 -9.5 -0.54 0
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216730 85086685 1 N2O4C15H24 A2B4C15D24 -107.12 1.09 -8.86 -0.09 0
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216731 85086686 2 NOC9H10 ABC9D10 -23.13 1.07 -8.38 -0.42 0
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216732 85086687 2 NOC9H10 ABC9D10 53.61 7.19 -8.56 -0.61 0
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216733 85086693 1 NO4H15C17 AB4C15D17 -99.62 1.84 -9.64 -0.95 0
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216734 85086694 1 NO4H15C17 AB4C15D17 -84.72 3.44 -8.8 -0.58 0
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216735 85086697 1 OSN3H15C16 ABC3D15E16 55.71 6.55 -9.3 -1.87 0
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216736 85086698 1 OSN3H15C16 ABC3D15E16 37.72 4.68 -9.35 -1.58 0
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216737 85086699 1 NO2C19H23 AB2C19D23 -6.32 1.63 -8.03 -0.18 1
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216738 85086704 1 ClNF3C12H12 ABC3D12E12 -128.24 6.24 0.0 0.0 0
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216739 85086705 1 N4O6C11H14 A4B6C11D14 -170.12 3.46 -10.16 -1.22 0
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216740 85086707 1 O6C15H22 A6B15C22 -195.89 1.77 -9.13 0.25 0
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216741 85086711 1 O3C19H22 A3B19C22 -46.2 4.25 -9.3 0.28 0
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216742 85086712 1 ON4C17H26 AB4C17D26 -28.0 3.36 -8.66 0.11 0
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216743 85086713 1 SiO2C18H22 AB2C18D22 -88.53 5.61 -9.03 -0.04 0
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216744 85086714 1 OC21H30 AB21C30 -56.78 1.14 -9.44 0.29 0
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216745 85086715 1 SiO2C17H34 AB2C17D34 -193.44 4.03 -8.69 0.69 0
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216746 85086716 1 ClO4C15H19 AB4C15D19 -171.63 5.64 -10.18 -0.53 0
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216747 85086717 1 NOC5F11 ABC5D11 -548.16 0.53 -11.98 -1.4 0
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216748 85086720 1 SO4N5C10H13 AB4C5D10E13 -110.68 5.38 -8.94 -0.53 0
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216749 85086721 1 NO4C17H17 AB4C17D17 -145.66 3.37 -9.31 -0.79 0
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216750 85086722 1 BrSiC14H23 ABC14D23 -7.6 2.09 -9.88 0.0 0
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216751 85086723 1 N3O3C16H17 A3B3C16D17 -79.96 10.37 -8.82 -1.18 1
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216752 85086724 1 O2N5C15H16 A2B5C15D16 8.97 5.86 0.0 0.0 0
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216753 85086725 1 NS2O6C9H17 AB2C6D9E17 -265.13 4.29 -8.84 -0.03 0
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216754 85086726 1 NSO2C17H17 ABC2D17E17 37.34 4.93 -9.07 -1.05 0
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216755 85086727 1 NSO2C17H17 ABC2D17E17 -17.57 2.0 -8.24 -0.41 0
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216756 85086728 1 NO4C16H29 AB4C16D29 -223.18 3.68 -10.13 0.25 0
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216757 85086729 1 NO4C16H29 AB4C16D29 -227.96 2.38 -9.8 0.11 0
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216758 85086730 1 NO2C19H25 AB2C19D25 -48.35 0.48 -8.9 -0.39 0
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216759 85086731 1 NO2C19H25 AB2C19D25 -67.18 4.01 -9.95 -0.48 0
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216760 85086732 1 NO3C17H33 AB3C17D33 -193.8 3.51 -9.58 0.78 0
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216761 85086734 1 NOC20H29 ABC20D29 -20.33 2.16 -8.65 0.26 0
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216762 85086739 1 N2O5H12C15 A2B5C12D15 -69.15 3.56 -9.36 -2.24 0
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216763 85086740 2 ON3C7H10 AB3C7D10 23.64 2.03 -8.99 -0.12 0
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216764 85086741 1 FN2O2C17H17 AB2C2D17E17 -65.44 2.54 -8.65 -0.71 0
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216765 85086742 1 FON4C16H17 ABC4D16E17 -9.86 2.79 -9.22 -0.72 0
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216766 85086743 3 O2C5H8 A2B5C8 -275.86 7.88 -10.86 -0.71 0
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216767 85086744 2 O2C9H10 A2B9C10 -103.8 5.52 -9.45 -0.68 0
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216768 85086746 2 O2C9H10 A2B9C10 -111.37 4.88 -9.61 -1.07 0
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216769 85086747 1 N2O3C17H20 A2B3C17D20 -68.25 2.87 -8.37 -0.13 0
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216770 85086748 1 N4O4C13H26 A4B4C13D26 -182.66 5.2 -9.4 0.05 0
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216771 85086749 2 ON2C8H10 AB2C8D10 71.69 8.96 -8.31 -0.94 0
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216772 85086751 1 O5C16H28 A5B16C28 -251.75 4.99 -9.51 1.12 0