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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165141 74505087 1 NO4C18H19 AB4C18D19 -118.95 4.58 -8.5 -1.35 -1
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165142 74505181 1 BrN2O5H16C20 AB2C5D16E20 -30.66 23.11 0.0 0.0 0
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165143 74505261 1 N2O3C24H32 A2B3C24D32 -102.49 7.19 -9.05 -0.19 1
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165144 74505262 1 N3O3C29H32 A3B3C29D32 -35.32 3.06 0.0 0.0 0
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165145 74505263 1 N3O3C29H31 A3B3C29D31 -43.96 3.66 -8.5 -0.21 1
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165146 74505397 1 N4O5C27H37 A4B5C27D37 -155.37 4.88 0.0 0.0 0
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165147 74505398 1 N4O5C27H36 A4B5C27D36 -180.56 5.33 -8.62 -0.18 1
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165148 74505740 1 N2O2C18H27 A2B2C18D27 -51.85 3.41 0.0 0.0 0
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165149 74505741 2 NOC9H13 ABC9D13 -76.29 2.49 -8.73 0.24 0
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165150 74506323 1 O2N3C24H35 A2B3C24D35 -57.14 2.79 -8.98 -0.52 1
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165151 74506324 1 N3O3C29H38 A3B3C29D38 -58.62 5.5 0.0 0.0 0
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165152 74506325 1 N3O3C29H37 A3B3C29D37 -59.72 10.11 -8.89 -0.74 1
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165153 74506326 1 N3O3C29H38 A3B3C29D38 -59.19 6.88 0.0 0.0 1
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165154 74506711 1 FO2N4H20C21 AB2C4D20E21 19.58 3.73 0.0 0.0 0
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165155 74506859 1 O2N5H21C23 A2B5C21D23 74.21 3.51 -9.35 -1.21 0
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165156 74507338 1 N4O4H18C19 A4B4C18D19 -41.84 4.12 -10.0 -1.37 0
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165157 74507356 2 N2O3H9C10 A2B3C9D10 -57.0 8.05 -9.98 -1.81 1
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165158 74507357 1 N4O4C13H15 A4B4C13D15 12.68 9.66 0.0 0.0 0
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165159 74507488 1 SN3O3C21H29 AB3C3D21E29 -132.12 5.67 -8.99 -0.46 0
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165160 74508120 1 ClNF3O3H15C19 ABC3D3E15F19 -240.83 1.73 -9.48 -1.37 0
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165161 74508406 1 SN2F3O4C21H21 AB2C3D4E21F21 -265.85 9.3 -9.09 -1.25 1
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165162 74508621 1 ClFO3N4C21H27 ABC3D4E21F27 -140.57 5.03 0.0 0.0 1
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165163 74509063 1 SO2N5C19H32 AB2C5D19E32 -53.98 8.88 0.0 0.0 0
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165164 74509064 1 SO2N5C19H31 AB2C5D19E31 -75.84 6.22 -8.88 -0.04 1
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165165 74509065 1 SO3N5C19H34 AB3C5D19E34 -112.75 10.51 0.0 0.0 0
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165166 74509516 1 NO4C20H21 AB4C20D21 -100.62 5.42 -8.72 -0.54 0
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165167 74510170 1 N3O5C23H29 A3B5C23D29 -156.88 16.7 -9.52 -0.85 0
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165168 74510401 1 N2O2C23H32 A2B2C23D32 -90.45 4.67 -9.27 -0.12 0
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165169 74510440 2 NO3C10H11 AB3C10D11 -155.23 5.95 -8.55 -0.59 0
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165170 74510536 1 N2O5C17H22 A2B5C17D22 -193.8 3.58 -9.25 -1.07 1
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165171 74511316 1 N4O6C10H11 A4B6C10D11 -131.77 4.52 0.0 0.0 0
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165172 74511317 1 NO4C20H23 AB4C20D23 -107.37 3.95 -8.46 -0.63 1
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165173 74511318 1 N3O4H18C19 A3B4C18D19 -69.54 8.77 0.0 0.0 0
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165174 74511468 1 SF2N3O7C21H21 AB2C3D7E21F21 -239.59 5.24 -9.26 -1.92 0
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165175 74511612 1 SF2N2O3C16H18 AB2C2D3E16F18 -163.12 2.55 -9.15 -1.19 0
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165176 74511613 1 ClSF2N2O3H17C19 ABC2D2E3F17G19 -149.51 6.36 -9.51 -1.2 1
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165177 74512265 1 SO2N3C23H28 AB2C3D23E28 18.67 5.17 0.0 0.0 1
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165178 74512266 1 BrSO2N3C22H25 ABC2D3E22F25 30.71 7.65 0.0 0.0 1
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165179 74512267 1 N2O2C18H23 A2B2C18D23 -30.88 3.78 0.0 0.0 1
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165180 74512268 1 N2O2C19H25 A2B2C19D25 -31.62 3.1 0.0 0.0 1
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165181 74512269 1 N2O2C19H25 A2B2C19D25 -31.33 2.98 0.0 0.0 1
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165182 74512488 1 N2O3C23H29 A2B3C23D29 -57.31 13.45 0.0 0.0 1
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165183 74512706 1 N4O4C18H19 A4B4C18D19 -102.97 6.34 0.0 0.0 1
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165184 74512724 1 N5O5C19H20 A5B5C19D20 -142.97 10.08 0.0 0.0 0
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165185 74513389 1 SN2O7C24H30 AB2C7D24E30 -220.67 5.07 -8.17 -0.86 0
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165186 74513875 1 N3O3H21C22 A3B3C21D22 -17.93 5.4 -8.76 -0.59 0
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165187 74513876 1 NO5C22H25 AB5C22D25 -138.47 3.98 -8.4 -0.51 0
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165188 74513884 1 O4N5C25H35 A4B5C25D35 -160.23 5.76 -9.32 -0.71 0
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165189 74513976 1 BrFSO2N3H15C20 ABCD2E3F15G20 -23.78 3.56 -8.95 -1.48 0
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165190 74514037 1 ClNO4C20H22 ABC4D20E22 -114.63 3.57 -8.49 -0.75 1