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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21296 587874 1 OSN2C9H12 ABC2D9E12 -31.3 3.79 -8.87 -0.71 0
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21297 587875 1 SN2O3C9H10 AB2C3D9E10 -21.12 5.61 -10.17 -2.3 0
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21298 587876 1 NiC15H24 AB15C24 203.98 5.0 -5.03 -2.97 -8
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21299 587877 1 C10H19 A10B19 -13.1 0.47 0.0 0.0 -3
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21300 587879 1 N3O4C7H9 A3B4C7D9 -70.92 8.68 -10.24 -0.9 0
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21301 587881 1 SO3C9H12 AB3C9D12 -115.41 6.97 -9.8 -0.61 0
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21302 587882 1 NC18H35 AB18C35 -44.2 2.1 -8.52 1.37 0
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21303 587884 1 ClON2C10H11 ABC2D10E11 -29.31 6.61 -8.69 -0.07 0
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21304 587885 1 O3N5C9H17 A3B5C9D17 -87.74 3.49 -9.42 -0.63 0
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21305 587890 1 FeO2F3H7C10 AB2C3D7E10 -131.61 2.93 -9.62 -0.36 -6
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21306 587891 1 ClN3H10C11 AB3C10D11 62.0 6.25 -8.8 -0.29 0
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21307 587896 1 FN2O4H7C9 AB2C4D7E9 -67.45 5.78 -9.26 -2.51 0
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21308 587898 1 NPSi2O3C15H36 ABC2D3E15F36 -410.14 5.11 -8.63 -0.01 0
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21309 587900 1 ClO2N4C9H15 AB2C4D9E15 -70.49 7.63 -9.52 -0.38 0
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21310 587901 1 NPSi2O3C15H36 ABC2D3E15F36 -406.91 4.11 -8.84 0.14 0
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21311 587902 1 N2O2F3C11H19 A2B2C3D11E19 -250.25 4.38 -9.57 -0.04 0
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21312 587906 1 OCl2N2H8C12 AB2C2D8E12 3.34 4.47 -9.04 -1.33 0
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21313 587910 1 O2N3C16H25 A2B3C16D25 -56.02 3.79 -9.36 -0.44 0
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21314 587911 1 NO3S3H7C10 AB3C3D7E10 -51.11 7.46 -9.24 -2.18 0
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21315 587913 2 NOC9H14 ABC9D14 -98.27 1.73 -8.44 -0.32 0
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21316 587917 1 ClSN3O4H10C13 ABC3D4E10F13 -45.92 4.27 -9.69 -2.19 0
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21317 587918 1 N2O4C17H24 A2B4C17D24 -86.81 3.82 -8.54 -1.69 0
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21318 587923 1 NCl2O2C17H23 AB2C2D17E23 -102.77 3.15 -8.71 -0.99 0
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21319 587927 1 SiO2C24H38 AB2C24D38 -135.66 4.65 -9.76 0.84 0
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21320 587929 2 NO2C11H14 AB2C11D14 -115.33 5.19 -8.09 -0.79 0
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21321 587931 2 NO2C12H17 AB2C12D17 -136.94 6.47 -7.53 0.42 0
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21322 587932 2 NO2C12H18 AB2C12D18 -130.34 5.23 -7.8 0.39 0
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21323 587934 1 NO5C9H17 AB5C9D17 -217.56 1.51 -10.12 0.55 0
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21324 587938 1 NOC11H21 ABC11D21 -42.72 0.96 -9.11 1.26 0
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21325 587939 1 NOCl3C18H20 ABC3D18E20 -36.15 3.76 -9.01 -0.24 0
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21326 587940 1 SC11H20 AB11C20 -44.77 2.43 -8.44 0.8 0
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21327 587941 1 Cl2O2H14C15 A2B2C14D15 -54.92 2.49 -8.95 -0.3 0
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21328 587942 1 O2N3C14H19 A2B3C14D19 -72.09 6.23 -8.7 0.18 0
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21329 587943 1 O2N3C5H7 A2B3C5D7 -37.53 6.87 -9.7 -0.72 0
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21330 587946 1 N2O3C9H16 A2B3C9D16 -153.98 3.77 -9.76 0.23 0
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21331 587947 1 O2N3C5H7 A2B3C5D7 -44.52 7.85 -9.44 -0.05 0
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21332 587950 1 BO3C9H17 AB3C9D17 -213.03 3.78 -9.96 0.23 0
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21333 587951 2 FOC5H5 ABC5D5 -169.11 3.2 -10.33 -0.97 0
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21334 587953 1 O2C9H16 A2B9C16 -113.17 1.54 -9.93 1.75 0
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21335 587954 1 O3N5C9H11 A3B5C9D11 -26.75 10.83 -9.39 -1.07 0
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21336 587956 1 O2N3C5H7 A2B3C5D7 26.09 1.64 -9.43 -0.65 0
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21337 587959 1 O2C15H18 A2B15C18 -66.81 0.48 -8.61 -0.21 0
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21338 587960 1 O2C15H18 A2B15C18 -66.63 2.21 -8.67 -0.27 0
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21339 587962 1 SO2C14H22 AB2C14D22 -104.15 6.81 -9.74 -1.14 0
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21340 587963 1 FNSH8C9 ABCD8E9 2.01 4.44 -9.11 -0.75 0
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21341 587969 1 F2O2C11H12 A2B2C11D12 -171.31 2.99 -10.37 -1.01 0
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21342 587970 2 FOC6H7 ABC6D7 -177.94 3.06 -10.36 -1.03 0
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21343 587971 2 O3C7H14 A3B7C14 -317.38 3.46 -10.22 0.69 0
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21344 587972 2 O2C9H13 A2B9C13 -182.91 1.27 -9.81 -0.24 0
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21345 587978 1 ClNOC11H16 ABCD11E16 -33.0 3.95 -8.6 0.08 0