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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23212 602784 1 NOC16H17 ABC16D17 -26.78 5.22 -9.0 -0.75 0
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23213 602787 1 ON3H11C13 AB3C11D13 67.84 4.2 -8.72 -0.76 0
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23214 602793 1 NCl2O4H9C10 AB2C4D9E10 -173.51 9.58 -9.64 -1.22 0
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23216 602815 3 OC5H8 AB5C8 -160.84 2.34 -10.37 -0.14 0
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23217 602816 1 FNSO2H16C19 ABCD2E16F19 -48.08 3.88 -9.52 -0.78 0
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23218 602817 1 BrON6H7C11 ABC6D7E11 157.0 3.77 -9.71 -2.11 0
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23219 602872 1 NOC15H29 ABC15D29 -98.26 1.09 -8.48 2.84 0
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23220 602873 1 ON2C18H20 AB2C18D20 -3.39 5.59 -9.15 -0.79 0
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23221 602881 1 NO3H11C13 AB3C11D13 -5.28 6.95 -8.85 -1.29 0
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23222 602882 1 Cl2O7C25H30 A2B7C25D30 -316.88 7.79 -9.64 -1.09 0
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23223 602883 1 O3C16H16 A3B16C16 -76.92 2.4 -8.54 -0.14 0
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23224 602884 1 SN2O3C10H14 AB2C3D10E14 -134.43 4.48 -9.0 -0.66 0
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23225 602885 1 SN2O4C10H14 AB2C4D10E14 -165.75 6.77 -8.87 -0.57 0
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23226 602886 1 SN2O3C10H14 AB2C3D10E14 -137.94 4.06 -8.96 -0.63 0
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23227 602887 1 SN2O2H12C13 AB2C2D12E13 -4.92 8.49 -9.67 -0.78 0
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23228 602889 1 FeO5C15H20 AB5C15D20 -12.52 4.52 -7.81 -0.95 -8
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23229 602891 1 O2N3C22H27 A2B3C22D27 -30.2 5.08 -8.83 0.18 0
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23230 602892 2 ClNOH5C6 ABCD5E6 -39.96 2.71 -9.28 -0.92 0
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23231 602893 2 ClNOH5C6 ABCD5E6 -42.89 2.26 -9.42 -0.78 0
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23232 602894 1 N2H26C27 A2B26C27 93.2 2.54 -8.28 0.07 0
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23233 602895 1 NOSH17C19 ABCD17E19 38.93 4.57 -8.21 -1.15 0
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23234 602896 1 NO3C18H31 AB3C18D31 -180.66 4.59 -9.8 -0.43 0
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23235 602897 2 ClNOSH4C5 ABCDE4F5 -6.85 0.73 -8.47 -1.76 0
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23236 602898 1 Cl2N2O2C17H18 A2B2C2D17E18 -50.03 3.28 -8.76 -0.35 0
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23237 602900 1 F2N2O2H12C19 A2B2C2D12E19 -94.5 6.88 -9.13 -1.59 0
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23238 602901 2 NSiF2C7H8 ABC2D7E8 -341.05 4.63 -9.14 -0.34 0
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23239 602903 1 N2S2C21H22 A2B2C21D22 67.88 4.4 -8.24 -0.33 0
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23240 602908 1 N2O4C23H28 A2B4C23D28 -122.78 2.41 -8.06 -0.74 0
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23241 602909 2 NO2C12H16 AB2C12D16 -153.38 5.19 -8.47 -0.02 0
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23242 602912 1 OSiC25H38 ABC25D38 -97.36 2.23 -9.24 -0.08 0
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23243 602913 1 OSN2H14C16 ABC2D14E16 57.69 0.44 -8.59 -0.78 0
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23244 602914 1 ClN2O2H13C14 AB2C2D13E14 -50.2 2.42 -9.37 -0.87 0
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23245 602915 1 ClN3O3H14C21 AB3C3D14E21 8.08 5.47 -9.35 -1.82 0
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23246 602917 1 BrN2O3C14H15 AB2C3D14E15 -111.14 2.27 -9.64 -0.64 0
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23247 602918 1 ClN2O3C14H15 AB2C3D14E15 -123.25 2.14 -9.6 -0.61 0
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23248 602920 1 F2N2O3C14H14 A2B2C3D14E14 -205.09 2.28 -9.75 -0.73 0
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23249 602921 1 OSiC26H40 ABC26D40 -100.92 2.47 -9.24 0.03 0
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23250 602922 1 OSiC28H44 ABC28D44 -106.99 2.24 -9.26 0.0 0
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23251 602923 1 NOC15H15 ABC15D15 -0.69 4.3 -8.63 -0.08 0
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23252 602924 1 OSiC27H42 ABC27D42 -101.58 2.49 -9.21 -0.1 0
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23253 602925 1 FNO5C12H14 ABC5D12E14 -210.89 2.04 -8.82 -0.69 0
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23254 602927 1 SO5C16H18 AB5C16D18 -178.2 8.16 -8.68 -0.53 0
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23255 602929 1 N3O5H7C8 A3B5C7D8 -30.34 2.12 -10.27 -2.02 0
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23256 602930 1 ClN2O2C11H17 AB2C2D11E17 -92.0 3.06 -9.3 0.24 0
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23257 602932 2 O4C7H8 A4B7C8 -319.69 8.46 -9.43 -0.52 0
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23258 602933 1 O2C15H18 A2B15C18 -66.03 3.0 -8.63 -0.27 0
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23259 602940 2 O3C12H19 A3B12C19 -257.2 2.11 -9.15 -1.77 0
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23260 602943 2 NO2C9H16 AB2C9D16 -198.21 2.01 -9.46 0.38 0
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23261 602944 1 ClNO4C11H12 ABC4D11E12 -119.68 6.08 -8.7 -0.45 0
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23262 602950 1 BrO2C15H21 AB2C15D21 -94.15 0.79 -9.92 -0.91 0