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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21246 587769 1 ClO3N5C17H18 AB3C5D17E18 -53.76 5.12 -9.18 -0.97 0
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21247 587770 1 O2Cl3N3H12C15 A2B3C3D12E15 -62.47 3.07 -9.66 -1.53 0
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21248 587771 1 OPC13H19 ABC13D19 -74.92 5.06 -9.58 0.02 0
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21249 587773 1 F2C19H28 A2B19C28 -126.51 3.54 -9.53 -0.17 0
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21250 587774 1 F2C25H38 A2B25C38 -144.72 3.6 -9.51 -0.16 0
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21251 587776 2 FC11H16 AB11C16 -131.91 3.52 -9.52 -0.16 0
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21252 587780 2 FOC6H7 ABC6D7 -181.92 1.89 -9.79 -0.43 0
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21253 587783 1 N3F6H7C14 A3B6C7D14 -219.5 3.04 -9.82 -1.86 0
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21254 587791 2 NOC3H4 ABC3D4 -30.09 2.26 -8.99 -0.62 0
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21255 587792 1 FO2H5C7 AB2C5D7 -91.13 2.28 -9.63 -1.13 0
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21256 587794 1 ClO2N3H12C14 AB2C3D12E14 59.88 9.24 -8.82 -1.53 0
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21257 587795 1 H8C11 A8B11 92.52 0.4 -8.92 -0.25 0
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21258 587796 1 ClNO2C17H24 ABC2D17E24 -97.09 1.14 -8.7 -0.97 0
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21259 587798 1 NOC13H13 ABC13D13 -5.07 2.98 -8.28 -0.45 0
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21260 587800 1 ON8H16C18 AB8C16D18 201.91 1.34 -8.96 -1.39 0
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21261 587801 1 O2N3C12H21 A2B3C12D21 -109.29 7.0 -10.37 -0.6 0
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21262 587802 1 NC11H23 AB11C23 -36.79 1.14 -8.26 2.93 0
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21263 587803 1 FN3C6H8 AB3C6D8 4.16 6.36 -8.92 -0.69 0
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21264 587804 2 O3C7H14 A3B7C14 -319.15 1.92 -10.46 0.86 0
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21265 587808 1 ClON2H13C14 ABC2D13E14 -1.62 3.47 -8.83 -0.6 0
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21266 587809 1 NCl2O2C17H23 AB2C2D17E23 -102.65 1.89 -8.76 -1.18 0
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21267 587811 1 NOSCl2H7C12 ABCD2E7F12 15.28 4.13 -9.6 -1.3 0
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21268 587815 1 ClNC8H10 ABC8D10 6.3 2.57 -8.34 0.14 0
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21269 587818 1 ClN2O2H9C13 AB2C2D9E13 27.42 2.29 -9.57 -1.28 0
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21270 587819 1 ClSO2N3H8C14 ABC2D3E8F14 39.66 4.99 -9.15 -1.47 0
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21271 587820 1 Cl2O2N3H7C8 A2B2C3D7E8 -12.49 2.22 -9.74 -1.3 0
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21272 587822 1 ClNO2C11H14 ABC2D11E14 -86.59 2.33 -9.65 -0.36 0
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21273 587823 1 FCl2N2O2H7C13 AB2C2D2E7F13 -29.67 1.83 -9.78 -1.57 0
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21274 587824 1 ClSN3O4H10C13 ABC3D4E10F13 -46.55 4.19 -9.79 -2.15 0
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21275 587825 1 ClNOC8H10 ABCD8E10 -34.23 2.89 -8.62 -0.09 0
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21276 587827 2 ClNC7H7 ABC7D7 11.37 4.37 -8.69 -0.05 0
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21277 587828 1 NO2C17H25 AB2C17D25 -87.2 1.76 -8.64 -0.63 0
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21278 587829 1 NF3O3C10H16 AB3C3D10E16 -305.52 6.02 -10.39 -0.26 0
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21279 587830 1 N2O2C17H26 A2B2C17D26 -92.5 4.28 -8.51 -0.3 0
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21280 587831 1 O2C11H18 A2B11C18 -98.12 6.45 -9.1 0.14 0
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21281 587835 1 NC15H31 AB15C31 -62.59 1.6 -8.89 3.16 0
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21282 587837 1 O2N3C10H17 A2B3C10D17 -98.49 7.03 -10.38 -0.59 0
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21283 587838 1 O2N3C11H19 A2B3C11D19 -103.48 6.98 -10.39 -0.6 0
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21284 587839 1 O2N3C10H17 A2B3C10D17 -99.49 7.01 -10.37 -0.59 0
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21285 587840 1 ClNC8H10 ABC8D10 6.19 4.31 -9.87 -0.41 0
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21286 587844 1 FNO2C7H8 ABC2D7E8 -111.89 3.36 -9.03 -0.57 0
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21287 587845 1 OF3C9H9 AB3C9D9 -192.65 2.62 -10.09 -0.68 0
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21288 587849 1 NF3O4C7H8 AB3C4D7E8 -312.85 3.87 -10.72 -0.46 0
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21289 587853 1 ON2C16H24 AB2C16D24 -49.74 5.13 -9.0 0.32 0
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21290 587856 1 ClON2H17C20 ABC2D17E20 30.33 5.3 -8.47 -0.54 0
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21291 587863 1 NC16H33 AB16C33 -64.66 1.52 -8.51 2.87 0
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21292 587865 1 FSiN2C12H21 ABC2D12E21 -93.25 3.19 -9.05 0.28 0
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21293 587866 1 SO3C8H10 AB3C8D10 -110.39 6.87 -9.8 -0.61 0
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21294 587868 1 F2O2C13H16 A2B2C13D16 -186.92 1.78 -9.87 -0.53 0
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21295 587872 1 ClN2O3C17H23 AB2C3D17E23 -138.18 5.2 -8.8 -0.27 0
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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