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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167254 74798211 1 O4N5C24H29 A4B5C24D29 -88.23 8.1 -8.74 -0.74 1
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167255 74798865 1 FN3O3C26H31 AB3C3D26E31 -95.93 6.09 0.0 0.0 1
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167256 74798866 1 SN2O2C21H29 AB2C2D21E29 -60.11 2.93 0.0 0.0 1
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167257 74798867 1 ClN4O4C24H34 AB4C4D24E34 -108.96 6.02 0.0 0.0 1
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167258 74799160 1 SF2N2O2C17H23 AB2C2D2E17F23 -143.07 1.45 0.0 0.0 1
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167259 74799168 1 SO2N4C25H31 AB2C4D25E31 2.6 12.28 0.0 0.0 2
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167260 74799169 1 ON3C23H35 AB3C23D35 81.72 2.9 -3.47 0.52 1
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167261 74799170 1 O2N3C24H34 A2B3C24D34 -12.33 9.05 0.0 0.0 1
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167262 74799171 1 O2N6C23H31 A2B6C23D31 50.24 5.14 0.0 0.0 1
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167263 74799172 1 ClNO2C20H23 ABC2D20E23 -17.28 23.13 0.0 0.0 1
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167264 74799173 1 ON5C23H30 AB5C23D30 93.03 3.53 0.0 0.0 0
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167265 74799174 1 FO3N5H24C28 AB3C5D24E28 -30.01 3.59 -9.53 -1.77 1
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167266 74799175 1 O2N3C25H32 A2B3C25D32 -51.32 4.37 0.0 0.0 1
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167267 74799176 1 SO2N3C23H28 AB2C3D23E28 15.55 16.2 0.0 0.0 1
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167268 74799206 1 O2N4C29H31 A2B4C29D31 12.93 7.63 0.0 0.0 1
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167269 74799290 1 NO5C23H32 AB5C23D32 -163.31 3.31 0.0 0.0 1
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167270 74799291 1 ClN2O3H24C26 AB2C3D24E26 -11.12 2.0 0.0 0.0 1
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167271 74799292 1 O3N4C15H21 A3B4C15D21 -40.61 5.17 0.0 0.0 -1
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167272 74799509 1 OSCl2N2H9C16 ABC2D2E9F16 75.09 0.78 0.0 0.0 0
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167273 74799968 1 ClFSO3N4C22H22 ABCD3E4F22G22 -80.22 8.36 -9.1 -0.9 0
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167274 74800089 1 N2F3O3C29H29 A2B3C3D29E29 -235.36 5.7 -9.26 -0.68 1
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167275 74800364 1 SN2O2C25H33 AB2C2D25E33 -12.94 3.37 0.0 0.0 1
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167276 74801081 1 O2N4C30H39 A2B4C30D39 -6.02 1.33 0.0 0.0 1
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167277 74801098 1 F3O3N4C24H34 A3B3C4D24E34 -244.04 2.07 0.0 0.0 0
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167278 74801461 1 ClN3O3H18C22 AB3C3D18E22 -24.91 8.65 -8.62 -1.14 1
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167279 74802040 1 N3O4C29H38 A3B4C29D38 -111.39 2.72 0.0 0.0 1
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167280 74802504 1 O4N5C29H34 A4B5C29D34 -50.91 5.77 0.0 0.0 0
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167281 74802850 1 FO2N3C21H26 AB2C3D21E26 -61.09 6.73 -8.8 -0.02 0
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167282 74803083 1 FO2N3C24H28 AB2C3D24E28 -92.2 8.48 -8.49 -0.22 1
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167283 74803084 1 OSN4C25H33 ABC4D25E33 15.5 2.17 0.0 0.0 0
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167284 74803085 1 OSN4C25H32 ABC4D25E32 -5.47 3.24 -8.72 -0.4 1
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167285 74803128 1 OSN4C24H37 ABC4D24E37 -16.37 7.41 0.0 0.0 0
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167286 74803479 1 FO2N4H21C23 AB2C4D21E23 -28.25 4.56 -9.06 -1.11 0
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167287 74803821 1 N2F3O4H19C20 A2B3C4D19E20 -270.95 4.08 -9.4 -0.8 1
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167288 74804019 1 N2O2F3C21H24 A2B2C3D21E24 -160.74 7.57 0.0 0.0 0
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167289 74804020 1 SN3O6C22H27 AB3C6D22E27 -231.07 1.93 -9.14 -0.54 0
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167290 74804175 1 N3O4C29H41 A3B4C29D41 -144.49 2.15 -8.93 -0.17 0
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167291 74804222 1 SO2N4C22H28 AB2C4D22E28 -44.66 1.33 -8.62 -0.94 1
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167292 74804496 1 FN2O3C20H26 AB2C3D20E26 -134.63 3.09 0.0 0.0 0
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167293 74804587 1 FO3N5C22H30 AB3C5D22E30 -151.64 4.84 -8.4 -0.18 1
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167294 74805493 1 FON3C21H31 ABC3D21E31 -35.78 6.16 0.0 0.0 1
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167295 74805494 1 ON2F3C24H26 AB2C3D24E26 -108.03 6.49 0.0 0.0 0
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167296 74805607 1 FN2O5C24H27 AB2C5D24E27 -228.0 3.23 -9.05 -0.28 2
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167297 74806005 1 SN2O2C23H32 AB2C2D23E32 -35.67 2.94 -8.46 0.09 1
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167298 74806006 1 SN3O4C22H28 AB3C4D22E28 -41.89 7.31 0.0 0.0 1
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167299 74806165 1 N3O3C28H40 A3B3C28D40 -129.88 2.41 0.0 0.0 2
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167300 74806178 2 ON2C15H22 AB2C15D22 -4.4 14.36 -5.6 -0.23 1
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167301 74806397 1 SN3O3C23H26 AB3C3D23E26 -9.76 2.26 0.0 0.0 1
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167302 74806507 1 O3N5C26H32 A3B5C26D32 -10.41 5.34 0.0 0.0 1
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167303 74807047 1 ClSN3O3C23H25 ABC3D3E23F25 -66.82 13.67 0.0 0.0 1