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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399910 135043737 1 NS2C13H19 AB2C13D19 14.48 5.99 -8.24 -0.43 1
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399911 135043756 1 NO2C11H12 AB2C11D12 5.86 5.61 0.0 0.0 0
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399912 135043759 1 SiO2C15H28 AB2C15D28 -136.98 3.09 -8.74 0.59 0
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399913 135043761 1 NSO2C16H17 ABC2D16E17 -27.47 4.16 -8.3 -0.07 0
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399914 135043762 1 ON3C9H11 AB3C9D11 42.6 3.44 -9.03 -0.25 0
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399915 135043765 1 N3O5C11H11 A3B5C11D11 -77.28 7.96 -8.83 -1.3 1
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399916 135043790 1 NSO5C7H14 ABC5D7E14 -223.15 5.7 0.0 0.0 1
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399917 135043794 1 SSeC4H5 ABC4D5 53.06 0.55 0.0 0.0 0
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399918 135043796 1 BOSiC11H25 ABCD11E25 -67.63 0.96 -8.14 0.64 0
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399919 135043798 1 SiO2C16H26 AB2C16D26 -125.66 1.41 -9.28 0.25 0
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399920 135043806 1 SC16H20 AB16C20 14.73 0.79 -8.92 0.18 0
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399921 135043818 1 NO3H13C16 AB3C13D16 -43.96 5.17 -10.04 -0.91 0
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399922 135043834 1 O4C13H22 A4B13C22 -204.69 3.15 -10.66 0.46 0
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399923 135043842 2 OC6H6 AB6C6 -58.04 1.55 -9.85 -0.62 0
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399924 135043863 1 NOC10H13 ABC10D13 8.95 2.44 -9.56 0.74 0
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399925 135043872 2 OH5C6 AB5C6 25.6 2.14 -9.76 -0.08 0
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399926 135043891 1 BrClNO4C12H13 ABCD4E12F13 -99.3 7.27 -10.32 -1.4 0
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399927 135043892 1 N2O3H12C13 A2B3C12D13 -78.4 4.29 -9.47 -1.3 0
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399928 135043895 1 SO2H12C14 AB2C12D14 -35.26 2.7 -8.69 -1.11 0
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399929 135043901 2 OH5C6 AB5C6 47.19 3.3 -9.72 -0.17 0
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399930 135043911 1 N2O5C12H12 A2B5C12D12 -18.45 4.46 -10.57 -2.3 0
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399931 135043912 1 ON2C14H20 AB2C14D20 -38.61 3.8 -9.3 0.37 1
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399932 135043920 1 INH5C6 ABC5D6 87.35 2.29 0.0 0.0 0
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399933 135043921 1 F5H9C14 A5B9C14 -208.77 3.8 -9.19 -1.0 -1
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399934 135043929 1 NO2C4H4 AB2C4D4 -10.7 3.08 0.0 0.0 0
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399935 135043935 1 RhC18H21 AB18C21 85.62 16.13 -9.87 -3.41 1
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399936 135043968 1 N3O3C11H16 A3B3C11D16 -63.96 5.88 0.0 0.0 0
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399937 135043991 1 BrO2C17H17 AB2C17D17 -19.7 3.14 -9.04 -0.48 0
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399938 135044004 1 NSSiC16H23 ABCD16E23 -0.36 5.61 -8.08 -0.25 0
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399939 135044006 1 O3C15H22 A3B15C22 -135.71 2.45 -9.85 -0.46 0
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399940 135044037 2 O2C7H8 A2B7C8 -134.25 1.3 -9.37 0.15 0
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399941 135044052 2 OC7H9 AB7C9 -93.84 2.69 -9.12 0.5 0
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399942 135044055 1 BrN4H5C6 AB4C5D6 77.38 5.76 -9.69 -1.19 0
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399943 135044065 1 N2C13H22 A2B13C22 -8.06 1.49 -8.34 0.45 0
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399944 135044075 1 SeNa2O6C10H10 AB2C6D10E10 -358.77 9.2 -6.96 0.29 0
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399945 135044093 1 NOC13H15 ABC13D15 -7.61 2.16 -9.09 -0.36 0
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399946 135044097 2 NOC6H7 ABC6D7 1.85 3.95 -8.72 0.1 0
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399947 135044098 1 BrOC15H21 ABC15D21 -60.89 2.87 -9.51 -0.37 0
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399948 135044099 1 NO3C16H21 AB3C16D21 -127.23 3.53 -9.25 -0.12 0
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399949 135044100 1 OSiC12H18 ABC12D18 -75.22 1.06 -9.03 0.17 0
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399950 135044102 1 SO4C13H16 AB4C13D16 -131.63 4.19 -9.93 -0.44 0
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399951 135044107 1 BrN2O2C15H21 AB2C2D15E21 -87.35 3.66 -8.98 -0.29 0
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399952 135044142 1 FO4C6H9 AB4C6D9 -230.23 5.07 -11.35 -0.5 0
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399953 135044146 2 OC7H8 AB7C8 -75.43 6.69 -9.52 -0.42 0
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399954 135044147 1 NS2O3H11C13 AB2C3D11E13 -1.4 5.0 -9.09 -0.77 0
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399955 135044156 1 N2C15H16 A2B15C16 45.12 3.0 -8.06 0.05 0
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399956 135044189 1 OC19H22 AB19C22 -8.14 3.08 -9.31 -0.48 1
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399957 135044193 1 NOC11H13 ABC11D13 -22.79 2.37 -7.98 0.25 0
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399958 135044198 1 OC19H22 AB19C22 -9.6 3.02 -9.4 0.06 1
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399959 135044206 1 NO3C8H16 AB3C8D16 -117.89 4.87 0.0 0.0 0
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399960 135044217 1 O2C13H14 A2B13C14 -61.8 2.78 -9.34 0.19 0
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399961 135044220 1 BrON2H9C14 ABC2D9E14 41.68 4.71 -9.24 -1.14 0
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399962 135044229 4 OC3H5 AB3C5 -206.02 3.03 -10.71 0.46 1
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399963 135044234 1 OTiC14H21 ABC14D21 -12.55 6.32 0.0 0.0 0
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399964 135044241 1 OSiC13H20 ABC13D20 -76.37 1.1 -9.01 0.17 0
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399965 135044243 1 O2H13C15 A2B13C15 7.43 2.13 0.0 0.0 0
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399967 135044247 1 NOF2C14H19 ABC2D14E19 -150.86 2.19 -9.16 -0.31 1
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399969 135044258 1 ON2C14H18 AB2C14D18 -12.9 4.84 -8.12 0.12 0
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399970 135044260 1 SiO3C11H24 AB3C11D24 -246.04 2.64 -8.19 1.03 0
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399971 135044262 1 INOC11H12 ABCD11E12 -10.16 2.7 -8.72 -1.0 0
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399972 135044266 1 NO2C14H17 AB2C14D17 -63.47 2.71 -9.78 -0.59 0
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399973 135044267 1 NO3H11C15 AB3C11D15 -58.61 6.34 -9.19 -1.14 0
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399974 135044268 1 ClOC18H19 ABC18D19 -13.25 4.15 -9.42 -0.63 0
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399975 135044278 1 ON2H18C24 AB2C18D24 96.51 4.76 -8.98 -0.75 0
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399976 135044279 1 O2Si2C23H40 A2B2C23D40 -186.33 1.08 -8.72 0.28 0
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399977 135044287 1 SiO2C16H22 AB2C16D22 -90.62 4.7 -9.18 0.01 0
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399978 135044304 1 N2O3H8C11 A2B3C8D11 -38.31 2.3 -10.17 -1.15 0
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399979 135044317 1 BrNO2C13H16 ABC2D13E16 -61.64 7.48 -8.88 -0.2 0
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399980 135044319 1 O2N3H19C25 A2B3C19D25 111.75 4.07 -9.6 -0.92 0
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399981 135044324 1 NSH13C16 ABC13D16 77.85 2.91 -8.68 -0.19 0
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399982 135044338 1 O3C17H18 A3B17C18 -81.65 4.92 -9.07 -0.08 0
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399983 135044356 1 N2O3H10C13 A2B3C10D13 -9.26 1.89 -9.73 -1.31 0
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399984 135044357 1 BrNC12H14 ABC12D14 16.97 4.86 -8.68 -0.19 0
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399985 135044358 1 ON2Cl3H11C12 AB2C3D11E12 -21.87 2.37 -9.58 -1.51 0
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399986 135044360 1 N3O3C14H25 A3B3C14D25 -150.89 1.74 -9.52 0.62 0