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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218734 85089884 1 NO3H31C34 AB3C31D34 -6.61 4.5 -8.69 -0.92 1
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218735 85089887 1 Br2O2N4H15C20 A2B2C4D15E20 33.5 1.93 0.0 0.0 0
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218736 85089888 1 O3F6N6C20H20 A3B6C6D20E20 -340.41 9.11 -9.32 -1.25 0
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218737 85089889 1 BO5N6C24H39 AB5C6D24E39 -277.2 7.56 -9.26 0.48 0
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218738 85089890 1 BrFNO3C26H29 ABCD3E26F29 -109.62 5.99 -9.21 -0.7 0
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218739 85089891 1 OPN2F6C24H25 ABC2D6E24F25 -311.34 6.51 -8.79 -0.56 0
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218740 85089893 1 O8H26C29 A8B26C29 -211.68 4.73 -8.76 -1.44 0
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218741 85089894 2 N2O4C12H15 A2B4C12D15 -195.76 9.41 -8.84 -0.98 0
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218742 85089896 2 NO4C13H17 AB4C13D17 -311.21 4.75 -8.07 0.19 0
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218743 85089897 1 N6O8C21H38 A6B8C21D38 -399.0 3.59 -9.49 -0.26 0
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218744 85089898 2 O3C15H23 A3B15C23 -322.13 4.79 -9.96 -0.43 0
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218745 85089899 2 NO2C15H25 AB2C15D25 -217.35 1.44 -8.71 0.14 0
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218746 85089900 1 IPN3O8C13H21 ABC3D8E13F21 -405.64 1.3 -10.21 -2.04 0
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218747 85089901 1 BrN4O5C22H23 AB4C5D22E23 -76.37 9.66 -9.17 -1.33 0
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218748 85089903 1 NPO8C25H30 ABC8D25E30 -308.98 4.73 -9.1 -0.59 0
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218749 85089904 1 NSO6H25C28 ABC6D25E28 -119.61 4.58 -8.41 -0.75 0
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218750 85089905 1 NO8C27H37 AB8C27D37 -317.5 7.03 -8.8 -0.08 0
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218751 85089907 1 O3N7C27H35 A3B7C27D35 -25.65 9.67 -9.26 -0.07 0
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218752 85089909 1 ClNO6C27H34 ABC6D27E34 -153.27 7.71 -9.09 -0.39 0
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218753 85089910 1 ClO2C32H51 AB2C32D51 -169.38 1.39 -9.07 0.4 0
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218754 85089911 1 N2F5O6H21C22 A2B5C6D21E22 -429.63 5.09 -8.66 -0.7 0
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218755 85089917 1 PO5C29H45 AB5C29D45 -287.93 2.85 -8.92 -0.15 0
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218756 85089919 2 NO3C14H22 AB3C14D22 -321.95 2.9 -9.34 0.29 0
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218757 85089924 2 SiO2C14H24 AB2C14D24 -297.66 3.0 -8.63 0.24 0
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218758 85089925 1 INO7C19H24 ABC7D19E24 -204.1 0.48 -8.34 -1.02 0
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218759 85089926 1 Cl2N2O5C25H26 A2B2C5D25E26 -187.68 5.09 -8.71 -0.57 0
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218760 85089931 1 NPO4C30H36 ABC4D30E36 -142.34 6.69 -9.24 -0.27 0
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218761 85089932 1 N3O7C26H39 A3B7C26D39 -338.17 2.83 -9.62 0.0 0
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218762 85089934 1 NSeO3C18H28 ABC3D18E28 -49.69 4.28 0.0 0.0 0
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218763 85089935 1 O5N6C26H30 A5B6C26D30 -103.27 9.86 -9.0 -0.83 0
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218764 85089937 1 SO9C25H30 AB9C25D30 -374.77 7.91 -9.27 -0.69 0
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218765 85089940 2 O2N4C12H21 A2B4C12D21 -198.95 7.39 -8.82 0.47 0
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218766 85089942 1 S2N5O8C18H29 A2B5C8D18E29 -364.6 5.64 -8.92 -0.55 0
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218767 85089943 1 O2N7C29H33 A2B7C29D33 73.23 1.72 -8.86 -0.88 0
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218768 85089946 1 S2N5O5C22H29 A2B5C5D22E29 -139.97 5.43 -9.37 -0.74 0
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218769 85089947 1 SN5O5C24H37 AB5C5D24E37 -169.23 3.43 -9.51 -0.89 0
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218770 85089948 1 NO5C31H41 AB5C31D41 -192.44 0.68 -8.54 -0.25 0
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218771 85089949 3 NO2C9H15 AB2C9D15 -290.71 5.81 -9.76 -0.81 0
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218772 85089950 1 NSiO3C31H45 ABC3D31E45 -159.6 3.06 -9.04 0.12 0
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218773 85089951 1 NSiO2C32H49 ABC2D32E49 -123.06 3.38 -8.72 -0.35 0
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218774 85089952 1 ClN5O8C21H26 AB5C8D21E26 -300.37 6.56 -7.45 -0.19 1
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218775 85089953 1 N5O8C21H26 A5B8C21D26 -278.23 4.83 0.0 0.0 0
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218776 85089954 1 ClN3O8C23H26 AB3C8D23E26 -301.78 8.45 -8.58 -1.35 0
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218777 85089955 1 SP3N4C10O12H15 AB3C4D10E12F15 -631.48 2.66 -9.31 -1.89 0
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218778 85089956 2 SeO3C10H13 AB3C10D13 -241.34 8.58 -8.39 -1.56 0
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218779 85089958 1 N4O7C26H28 A4B7C26D28 -220.84 7.04 -9.38 -1.94 0
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218780 85089961 1 O9C27H40 A9B27C40 -449.19 9.18 -9.49 -0.18 0
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218781 85089964 1 OSF3N4C26H35 ABC3D4E26F35 -162.0 5.54 -8.53 -1.06 0
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218782 85089965 1 SN4O5C25H40 AB4C5D25E40 -209.55 9.01 -7.68 0.21 1
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218783 85089966 1 SN4O5C25H41 AB4C5D25E41 -219.57 7.12 0.0 0.0 0