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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28273 826684 1 SN2C12H12 AB2C12D12 41.92 4.13 -8.63 -0.54 0
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28274 826706 1 ClSN2H11C15 ABC2D11E15 79.88 4.3 -8.98 -1.28 0
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28275 826720 1 ClSO2H13C16 ABC2D13E16 -52.1 2.18 -8.6 -0.38 0
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28276 826726 1 SN2O2C16H16 AB2C2D16E16 -31.52 2.75 -8.69 -0.88 0
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28277 826727 1 BrOSN2H13C15 ABCD2E13F15 8.38 3.01 -8.8 -0.86 0
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28278 826738 1 OSCl2H12C15 ABC2D12E15 -9.67 4.46 -8.36 -0.44 0
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28279 826764 1 SO4H10C14 AB4C10D14 -116.94 7.13 -9.1 -1.27 0
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28280 826766 1 SO4H10C14 AB4C10D14 -112.06 6.17 -9.43 -1.3 0
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28281 826773 1 FNSCl2H14C15 ABCD2E14F15 -12.66 2.22 -8.86 -0.91 0
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28282 826775 1 NSF4H15C16 ABC4D15E16 -159.72 1.51 -8.94 -0.91 0
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28283 826777 1 BrCl2H9C13 AB2C9D13 27.85 3.28 -9.59 -0.94 0
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28284 826783 1 O3H16C19 A3B16C19 -51.33 5.53 -8.8 -0.93 0
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28285 826796 1 ClN2O4H9C16 AB2C4D9E16 3.37 5.37 -9.74 -2.26 0
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28286 826802 1 ClSO2H11C15 ABC2D11E15 -39.52 5.64 -8.79 -1.17 0
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28287 826818 1 BrClFNSH6C13 ABCDEF6G13 32.13 2.47 -9.51 -1.63 0
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28288 826823 1 NOSC17H19 ABCD17E19 -23.94 3.07 -8.56 -0.5 0
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28289 826827 2 O2H8C11 A2B8C11 -94.71 4.03 -8.49 -1.3 0
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28290 826829 1 NO2H15C18 AB2C15D18 -14.18 4.81 -8.34 -0.85 0
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28291 826833 2 NO2C8H8 AB2C8D8 -16.99 5.81 -8.94 -1.4 0
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28292 826837 1 N2O4H12C15 A2B4C12D15 -3.71 4.37 -9.0 -1.66 0
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28293 826846 1 ClN2O2C18H21 AB2C2D18E21 -65.41 5.36 -8.79 -1.15 0
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28294 826862 1 SN2O5C14H22 AB2C5D14E22 -194.17 2.86 -9.36 -0.57 0
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28295 826865 2 NO2H4C5 AB2C4D5 -126.04 3.28 -10.39 -1.37 0
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28296 826870 1 ClNOC13H14 ABCD13E14 -22.65 5.26 -9.03 -0.28 0
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28297 826882 1 ON3C21H27 AB3C21D27 -10.41 3.94 -9.11 -0.6 0
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28298 826885 1 O3H14C19 A3B14C19 -46.32 5.84 -9.17 -1.4 0
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28299 826914 1 FN2O2H13C16 AB2C2D13E16 -55.03 4.09 -9.48 -1.21 0
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28300 826917 1 ON2C20H20 AB2C20D20 12.47 2.6 -8.62 -0.77 0
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28301 826920 1 OSN3C17H17 ABC3D17E17 23.88 2.93 -9.28 -0.99 0
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28302 826928 1 ON2C14H22 AB2C14D22 -56.36 3.16 -9.9 -0.42 0
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28303 826935 1 FON2H9C12 ABC2D9E12 -22.41 4.09 -9.57 -0.59 0
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28304 826938 2 NOC9H9 ABC9D9 -19.35 3.87 -9.25 -0.87 0
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28305 826942 1 ON3H15C17 AB3C15D17 44.16 4.31 -9.1 -0.82 0
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28306 826950 1 NSO5C16H17 ABC5D16E17 -149.11 7.46 -8.62 -1.24 0
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28307 826952 1 SO2N3H5C9 AB2C3D5E9 -2.09 4.54 -8.94 -1.18 0
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28308 826953 1 ClOSN3H4C9 ABCD3E4F9 45.13 5.9 -9.28 -1.81 0
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28309 826958 1 SCl2N2H12C16 AB2C2D12E16 73.37 5.2 -8.75 -1.2 0
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28310 826962 1 ClSN2O2H15C17 ABC2D2E15F17 3.32 3.21 -8.6 -1.24 0
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28311 826975 1 ClO2N5H14C16 AB2C5D14E16 2.58 2.34 -8.63 -0.95 0
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28312 826977 1 FNOH12C14 ABCD12E14 -41.92 3.49 -9.7 -0.49 0
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28313 826981 1 O2N3C8H11 A2B3C8D11 -54.73 6.71 -9.31 -0.77 0
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28314 826984 1 ClN2O2C14H17 AB2C2D14E17 -90.07 5.22 -8.8 -0.26 0
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28315 826985 1 ClON5C11H12 ABC5D11E12 5.61 4.6 -8.88 -0.84 0
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28316 826993 1 SN2O2C19H24 AB2C2D19E24 -13.42 2.48 -8.46 -0.42 0
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28317 827018 1 ClO2C12H13 AB2C12D13 -75.84 2.64 -9.7 -0.73 0
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28318 827027 1 ClSH9C14 ABC9D14 55.62 2.82 -8.72 -0.72 0
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28319 827030 1 NSO2H9C14 ABC2D9E14 60.87 5.33 -9.07 -1.56 0
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28320 827032 1 NSH9C15 ABC9D15 97.2 3.84 -8.89 -1.02 0
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28321 827033 1 FSH9C14 ABC9D14 17.06 1.89 -8.67 -0.71 0
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28322 827036 1 SN3C20H21 AB3C20D21 85.8 2.92 -8.68 -0.98 0
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28323 827037 1 SN3C20H21 AB3C20D21 86.42 4.75 -8.4 -0.83 1
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28324 827040 1 ON2C15H17 AB2C15D17 -3.79 5.78 0.0 0.0 0
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28325 827041 1 NOSH11C14 ABCD11E14 13.33 2.56 -8.4 -0.76 0
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28326 827042 1 SO3H14C16 AB3C14D16 -61.43 1.97 -8.56 -0.73 0
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28327 827045 1 ClOSH9C14 ABCD9E14 7.45 3.35 -9.01 -0.92 0
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28328 827046 1 SO2H10C14 AB2C10D14 -28.47 1.36 -8.72 -0.96 0
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28329 827049 1 NSO2H13C16 ABC2D13E16 -33.96 5.73 -8.76 -0.64 0
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28330 827057 1 ClSO2H7C14 ABC2D7E14 -6.79 4.46 -9.22 -1.44 0
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28331 827060 1 NSO2H15C16 ABC2D15E16 -48.67 2.83 -8.41 -0.27 0
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28332 827065 1 NSC15H15 ABC15D15 46.87 1.54 -8.43 -0.11 0
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28333 827072 1 OSN3C11H13 ABC3D11E13 0.78 4.9 -8.83 -0.49 0
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28334 827074 1 SN2C21H26 AB2C21D26 48.4 3.15 -8.56 -0.01 1
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28335 827075 1 SN2C21H27 AB2C21D27 80.45 2.69 0.0 0.0 0
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28336 827081 1 OS2H10C12 AB2C10D12 12.18 0.88 -8.55 -0.49 0
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28337 827083 1 NOS2C17H21 ABC2D17E21 2.27 5.64 -8.24 -0.11 0
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28338 827088 1 SN2O2H14C15 AB2C2D14E15 -8.89 4.79 -8.69 -1.43 0
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28339 827091 1 NSO2C20H23 ABC2D20E23 -31.82 2.6 -8.41 -0.78 0
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28340 827111 1 ClSN3H10C13 ABC3D10E13 79.89 3.5 -8.9 -0.97 0
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28341 827113 1 ClSO3H11C15 ABC3D11E15 -84.56 4.13 -9.05 -1.32 0
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28342 827123 1 SO2F3H11C15 AB2C3D11E15 -202.14 4.91 -9.46 -1.16 0
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28343 827127 1 NOSC13H13 ABCD13E13 -0.63 2.45 -8.52 -0.3 0
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28344 827128 1 ClNO4H6C8 ABC4D6E8 -79.52 6.3 -10.72 -1.96 1
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28345 827129 1 BrNH13C14 ABC13D14 65.82 5.75 0.0 0.0 0
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28346 827131 1 O2N3H11C14 A2B3C11D14 70.48 9.27 -9.75 -1.26 0
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28347 827132 1 OSN2C19H22 ABC2D19E22 3.41 3.37 -8.61 -0.38 0