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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8159 75182 1 O3H10C13 A3B10C13 -67.76 5.84 -9.51 -0.78 0
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8160 75183 1 O5H10C14 A5B10C14 -149.15 1.48 -9.99 -1.34 0
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8161 75184 1 NO4H7C11 AB4C7D11 -43.42 7.0 -10.0 -1.86 0
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8162 75187 2 OC5H6 AB5C6 -81.66 2.15 -9.28 0.19 0
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8163 75192 1 N2O3C10H16 A2B3C10D16 -160.03 2.11 -10.98 -0.69 0
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8164 75194 2 NaI2O2H4C10 AB2C2D4E10 -117.63 13.24 -8.37 -1.5 0
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8165 75195 2 I2O2H5C10 A2B2C5D10 4.54 9.55 -9.56 -2.0 0
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8166 75196 2 SN2H3O4C6 AB2C3D4E6 33.77 1.03 -9.61 -2.72 0
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8167 75199 1 CuO4C20H34 AB4C20D34 -186.49 1.11 0.0 0.0 0
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8168 75202 1 ON2H12C14 AB2C12D14 30.85 5.02 -8.64 -0.43 0
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8169 75210 1 O3H12C13 A3B12C13 -93.03 4.72 -8.84 -0.92 0
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8170 75214 1 N2Cl4C19H26 A2B4C19D26 -59.64 9.78 -8.93 -0.82 0
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8172 75217 2 ClNC11H15 ABC11D15 1.41 1.61 -9.14 -0.06 0
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8173 75220 1 ClOSN2C15H15 ABCD2E15F15 14.54 3.51 -8.27 -0.6 0
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8174 75221 1 SnO4C30H62 AB4C30D62 -291.27 9.46 -7.9 -0.59 0
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8175 75222 1 O2C9H10 A2B9C10 -65.41 3.37 -9.17 -0.6 0
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8176 75225 1 ClMgC3H7 ABC3D7 -29.18 3.86 -10.01 0.52 0
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8177 75227 1 NOC8H13 ABC8D13 -38.54 4.89 -8.88 0.87 0
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8178 75228 1 O2C15H16 A2B15C16 -36.91 0.26 -9.53 0.14 0
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8179 75233 1 BrON3C4H4 ABC3D4E4 -14.14 7.04 -9.39 -0.68 0
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8180 75239 1 ClO2C10H13 AB2C10D13 -70.41 1.09 -8.98 0.17 0
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8181 75243 1 NO3H9C13 AB3C9D13 14.22 3.15 -10.23 -1.6 0
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8182 75244 1 NOH9C11 ABC9D11 -1.8 3.91 -9.14 -0.83 0
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8183 75247 1 NC12H13 AB12C13 20.14 2.81 -8.78 -0.36 0
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8184 75248 1 NC12H13 AB12C13 21.25 1.26 -8.68 -0.39 0
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8185 75249 1 C11H20 A11B20 8.69 1.2 -10.51 1.84 0
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8186 75250 1 NNaSO3C8H10 ABCD3E8F10 -140.25 5.19 -8.31 0.36 0
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8187 75251 2 O3C5H5 A3B5C5 -215.26 0.51 -9.47 -0.93 0
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8188 75252 1 NOC11H11 ABC11D11 2.47 1.6 -7.91 -0.37 0
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8189 75254 1 O2F3C5H5 A2B3C5D5 -232.01 3.46 -11.1 -0.48 0
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8190 75255 1 NOF3C12H14 ABC3D12E14 -197.3 4.42 -9.52 -0.6 0
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8191 75256 1 ClOF5C7 ABC5D7 -236.37 1.98 -11.1 -2.14 0
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8192 75257 1 ClOF3H4C8 ABC3D4E8 -182.48 3.7 -11.07 -1.7 0
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8193 75262 1 PO2S2C16H35 AB2C2D16E35 -235.86 2.47 -9.35 -0.25 0
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8194 75267 1 ClNPO6C8H9 ABCD6E8F9 -221.71 8.46 -10.18 -1.39 0
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8195 75269 1 C3O3H4 A3B3C4 -125.39 2.43 -11.29 -0.4 0
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8196 75272 1 NF2O2H3C6 AB2C2D3E6 -72.76 3.31 -10.88 -1.97 0
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8197 75273 1 FON3C26H34 ABC3D26E34 -46.0 4.96 -8.58 -0.69 0
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8198 75287 1 N3O4H19C45 A3B4C19D45 98.4 4.04 -8.41 -2.34 0
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8199 75299 1 ClNC7H10 ABC7D10 8.86 8.77 -9.24 -1.0 0
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8200 75300 1 SiC5H12 AB5C12 -32.35 0.4 -9.2 1.49 0
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8201 75311 1 ClPC16H36 ABC16D36 -120.71 11.38 -8.07 1.75 0
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8202 75313 1 NO4C11H13 AB4C11D13 -155.82 2.41 -9.72 -0.17 0
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8203 75314 1 N2O5C12H14 A2B5C12D14 -199.3 2.25 -9.86 -0.32 0
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8204 75320 1 O2C15H30 A2B15C30 -157.59 1.56 -10.58 0.94 0
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8205 75322 1 SO3C10H14 AB3C10D14 -120.65 3.28 -8.87 -0.2 0
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8206 75325 1 BrO3N6C20H21 AB3C6D20E21 47.43 8.79 -8.55 -2.11 0
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8207 75337 1 NC22H40 AB22C40 -49.26 2.09 0.0 0.0 1
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8208 75351 1 OF4H4C7 AB4C4D7 -191.81 2.13 -9.74 -0.78 0
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8209 75365 1 O2Cl3C4H5 A2B3C4D5 -121.96 2.87 -11.47 -0.81 0
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8210 75390 1 ON2C21H22 AB2C21D22 33.68 6.63 -7.92 -1.17 0
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8211 75395 2 OH2N2C3 AB2C2D3 11.35 3.06 -10.51 -2.39 0
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8212 75396 1 FNO2H6C7 ABC2D6E7 -105.31 4.84 -9.2 -0.92 0
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8213 75397 1 FC2H2Cl3 AB2C2D3 -77.66 1.83 -11.31 -0.67 0
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8214 75427 1 OC10H18 AB10C18 -59.1 3.05 -9.21 0.57 0
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8215 75429 1 CKSH3O3 ABCD3E3 -177.6 7.14 -9.55 0.43 0
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8216 75431 1 AlBr2C2H5 AB2C2D5 -84.03 2.27 -10.55 0.45 0
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8217 75437 2 PbC6H16 AB6C16 44.6 0.55 -9.03 0.9 0
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8218 75440 2 ClNO2H4C10 ABC2D4E10 -68.29 1.24 -9.6 -2.25 0
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8219 75442 1 ClN4H19C20 AB4C19D20 88.33 4.81 -7.98 -0.9 0
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8220 75472 1 NOC10H21 ABC10D21 -80.54 1.98 -8.59 2.58 0
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8221 75479 1 OSH14C15 ABC14D15 11.0 3.47 -8.66 -0.5 0
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8222 75528 1 NC11H11 AB11C11 31.45 1.81 -8.85 -0.49 0
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8223 75529 2 NO2H4C6 AB2C4D6 42.24 6.66 -10.44 -1.49 0
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8224 75530 1 NC12H13 AB12C13 31.41 2.41 -8.02 -0.21 0
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8225 75532 1 AsNaO4C6H6 ABC4D6E6 -157.48 9.02 -9.11 -0.02 0
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8226 75535 3 OC4H6 AB4C6 -124.5 2.92 -8.68 0.72 0
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8227 75548 1 ON2C6H14 AB2C6D14 -53.37 2.72 -10.05 0.86 0
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8228 75559 2 NO2H5C7 AB2C5D7 -41.72 0.18 -9.77 -1.69 0
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8229 75572 1 N3O3C12H17 A3B3C12D17 -52.68 3.75 -10.27 0.78 0
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8230 75579 1 NOC4H5 ABC4D5 -18.24 2.14 -10.9 -0.01 0
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8231 75580 1 NC14H31 AB14C31 -61.95 1.69 -8.76 3.2 0
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8232 75588 1 O3C7H12 A3B7C12 -128.89 2.55 -10.56 -0.43 0
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8233 75594 1 SN2O7H15C23 AB2C7D15E23 -124.61 5.82 0.0 0.0 1
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8234 75598 1 NO2C8H9 AB2C8D9 -71.19 7.03 -8.98 -0.45 0