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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167204 74793225 1 OSN4C19H21 ABC4D19E21 77.55 5.86 0.0 0.0 1
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167205 74793226 1 OS2N3C20H22 AB2C3D20E22 62.51 5.06 0.0 0.0 1
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167206 74793227 1 N2O3C28H37 A2B3C28D37 -63.84 1.21 0.0 0.0 0
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167207 74793228 1 N2O3C28H36 A2B3C28D36 -94.63 3.31 -8.8 -0.4 1
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167208 74793229 1 O3N4C24H33 A3B4C24D33 -68.53 4.53 0.0 0.0 2
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167209 74793230 1 N2O4C25H38 A2B4C25D38 -103.73 9.33 -6.47 -0.59 1
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167210 74793231 1 N2O4C24H33 A2B4C24D33 -115.44 4.32 0.0 0.0 0
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167211 74793300 1 SN3O4C26H27 AB3C4D26E27 -70.05 6.46 -8.69 -1.13 1
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167212 74793596 1 ClSO2N4C23H28 ABC2D4E23F28 37.11 2.83 0.0 0.0 0
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167213 74793597 1 ClSO2N4C23H27 ABC2D4E23F27 18.35 4.8 -8.85 -0.72 2
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167214 74793598 1 ClN3O3C26H36 AB3C3D26E36 9.2 3.37 -4.21 -0.84 1
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167215 74793959 1 N2O3C23H33 A2B3C23D33 -76.9 4.23 0.0 0.0 2
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167216 74793960 1 O2N4C21H34 A2B4C21D34 -27.05 3.83 -7.4 0.6 0
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167217 74793961 1 N3O4C18H23 A3B4C18D23 -128.31 6.92 -8.93 -0.01 1
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167218 74793962 1 N2O4C23H35 A2B4C23D35 -158.48 3.8 0.0 0.0 1
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167219 74793963 1 O3N4C16H19 A3B4C16D19 44.77 11.38 0.0 0.0 1
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167220 74794827 1 F2O2N3C23H30 A2B2C3D23E30 -98.83 1.99 0.0 0.0 0
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167221 74795025 1 FON4C25H25 ABC4D25E25 10.68 6.47 -8.1 -0.72 0
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167222 74795240 1 F2O2N4C17H18 A2B2C4D17E18 -106.78 5.08 -9.75 -0.45 0
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167223 74795241 2 FON2C8H9 ABC2D8E9 -121.17 3.31 -9.73 -0.5 0
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167224 74795675 1 ClO3N4H23C25 AB3C4D23E25 -23.56 3.47 -8.81 -0.52 0
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167225 74795849 1 ClFO2N4H20C21 ABC2D4E20F21 -51.86 5.08 -9.16 -0.64 0
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167226 74795850 1 ClFO2N4H20C21 ABC2D4E20F21 -53.57 5.11 -9.15 -0.62 0
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167227 74795851 1 ClFN4O4H22C27 ABC4D4E22F27 -107.31 3.87 -9.54 -0.83 0
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167228 74795957 1 F2O3N4H22C26 A2B3C4D22E26 -88.87 5.33 -9.17 -0.69 0
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167229 74795991 1 ClSN2O3H21C26 ABC2D3E21F26 -39.24 5.36 -9.53 -1.52 0
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167230 74796313 1 SO3N4C22H26 AB3C4D22E26 -29.6 7.28 -9.1 -1.82 0
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167231 74796314 1 O3N4C19H30 A3B4C19D30 -109.04 6.44 -8.86 0.14 0
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167232 74796315 1 O4N5C23H37 A4B5C23D37 -143.35 6.58 -8.6 -0.24 0
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167233 74796649 1 O4N5C19H21 A4B5C19D21 -73.56 3.4 -9.2 -0.68 0
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167234 74796650 1 N4O5C18H24 A4B5C18D24 -160.99 2.64 -8.81 -0.1 0
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167235 74796651 1 SN4O4C19H22 AB4C4D19E22 -86.16 7.21 -8.99 -0.76 0
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167236 74796652 2 N2O2C8H9 A2B2C8D9 -63.78 0.7 -8.83 -0.2 0
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167237 74796889 1 FO2N4C17H21 AB2C4D17E21 -66.07 3.04 -8.81 -0.5 0
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167238 74796890 1 O2F3N4C22H29 A2B3C4D22E29 -214.89 5.0 -8.97 -0.92 0
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167239 74796891 2 ON2C9H13 AB2C9D13 -60.06 6.46 -9.16 0.21 0
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167240 74796991 1 N3O5C22H27 A3B5C22D27 -121.55 5.54 -8.53 -0.35 0
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167241 74797012 1 N3O3C23H29 A3B3C23D29 -47.01 6.99 -8.64 -0.32 0
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167242 74797123 1 F2O2N3C20H23 A2B2C3D20E23 -117.72 8.74 -8.43 -1.07 0
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167243 74797124 1 N3O3C22H29 A3B3C22D29 -64.08 2.31 -8.75 -0.29 0
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167244 74797578 1 O4N5C22H25 A4B5C22D25 -75.81 7.28 -8.91 -0.29 0
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167245 74797711 1 SO5N6C24H30 AB5C6D24E30 -112.34 4.29 -9.0 -1.4 0
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167246 74797712 1 SO5N6C24H28 AB5C6D24E28 -106.2 3.48 -8.99 -1.38 0
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167247 74797713 1 SO5N6C25H30 AB5C6D25E30 -111.33 3.79 -9.03 -1.44 0
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167248 74797714 1 SN6O6C24H28 AB6C6D24E28 -141.55 3.47 -9.03 -1.54 0
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167249 74797715 1 O4N5C18H19 A4B5C18D19 -51.6 7.29 -8.74 -1.12 0
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167250 74797716 1 BrO4N5C18H18 AB4C5D18E18 -46.51 6.32 -8.94 -1.3 0
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167251 74797890 1 O3N5C20H29 A3B5C20D29 -87.54 3.99 -8.88 -0.22 0
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167252 74797960 1 O3N5C25H25 A3B5C25D25 -14.99 7.43 -8.89 -1.14 0
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167253 74797977 1 O4N5C23H27 A4B5C23D27 -73.66 3.53 -9.02 -0.36 0
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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