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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42204 8149303 1 OSN3C17H25 ABC3D17E25 -47.28 2.63 -8.57 -0.82 1
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42205 8149304 1 OSN3C17H26 ABC3D17E26 -33.84 7.04 0.0 0.0 0
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42206 8149305 1 OSN3C17H25 ABC3D17E25 -48.36 2.93 -8.51 -0.74 1
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42207 8149306 1 OS2N3C16H20 AB2C3D16E20 24.54 5.91 0.0 0.0 0
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42208 8149307 1 OS2N3C16H19 AB2C3D16E19 7.67 4.17 -8.67 -1.02 1
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42209 8149308 1 OS2N3C16H20 AB2C3D16E20 24.59 5.94 0.0 0.0 1
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42210 8149310 1 SN3O4C19H28 AB3C4D19E28 -152.69 17.89 0.0 0.0 0
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42211 8149311 1 SN3O4C19H27 AB3C4D19E27 -167.68 6.57 -9.02 -1.3 1
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42212 8149312 1 O3N4C19H27 A3B4C19D27 -44.71 4.47 0.0 0.0 1
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42213 8149313 1 SN3O4C19H28 AB3C4D19E28 -157.28 19.68 0.0 0.0 0
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42214 8149314 1 SN3O4C19H27 AB3C4D19E27 -166.67 7.81 -9.06 -1.33 1
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42215 8149315 1 SN3O4C19H28 AB3C4D19E28 -155.78 20.01 0.0 0.0 0
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42216 8149316 1 SN3O4C19H27 AB3C4D19E27 -166.6 7.81 -9.06 -1.33 1
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42217 8149317 1 ClOSN3C20H23 ABCD3E20F23 7.28 7.46 0.0 0.0 0
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42218 8149318 1 ClOSN3C20H22 ABCD3E20F22 -7.37 3.81 -8.74 -0.84 0
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42219 8149320 1 ClOSN3C20H22 ABCD3E20F22 -6.28 4.34 -8.76 -0.92 1
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42220 8149321 1 ClOSN3C20H23 ABCD3E20F23 5.6 8.39 0.0 0.0 0
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42221 8149322 1 ClOSN3C20H22 ABCD3E20F22 -6.14 4.28 -8.75 -0.92 0
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42222 8149324 1 SN3O3C19H27 AB3C3D19E27 -139.61 6.29 -8.95 -1.22 1
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42223 8149325 1 SN3O3C19H28 AB3C3D19E28 -124.64 19.9 0.0 0.0 0
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42224 8149326 1 SN3O3C19H27 AB3C3D19E27 -137.97 6.25 -8.95 -1.22 1
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42225 8149327 1 SN3O3C19H28 AB3C3D19E28 -127.1 18.55 0.0 0.0 0
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42226 8149328 1 SN3O3C19H27 AB3C3D19E27 -135.07 6.07 -8.95 -1.22 1
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42227 8149329 1 OS2N3C19H24 AB2C3D19E24 13.92 15.98 0.0 0.0 0
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42228 8149330 1 OS2N3C19H23 AB2C3D19E23 0.91 4.39 -8.62 -0.97 1
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42229 8149331 1 OS2N3C19H24 AB2C3D19E24 13.25 16.49 0.0 0.0 0
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42230 8149332 1 OS2N3C19H23 AB2C3D19E23 2.41 4.4 -8.62 -0.97 0
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42231 8149333 1 NO2C18H19 AB2C18D19 -54.21 2.47 -9.07 -0.74 1
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42232 8149334 1 OS2N3C19H24 AB2C3D19E24 13.19 16.14 0.0 0.0 0
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42233 8149335 1 OS2N3C19H23 AB2C3D19E23 2.46 4.39 -8.6 -0.95 0
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42234 8149336 1 NO2C18H19 AB2C18D19 -54.66 2.92 -9.04 -0.74 1
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42235 8149337 1 OSN3C22H28 ABC3D22E28 -3.55 7.33 0.0 0.0 1
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42236 8149339 1 OSN3C22H28 ABC3D22E28 -4.44 7.3 0.0 0.0 0
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42237 8149340 1 OSN3C22H27 ABC3D22E27 -17.06 2.6 -8.59 -0.76 1
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42238 8149341 1 OSN3C22H28 ABC3D22E28 -4.61 7.24 0.0 0.0 0
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42239 8149342 1 OSN3C22H27 ABC3D22E27 -16.93 2.56 -8.56 -0.76 0
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42240 8149344 1 OSN4C19H22 ABC4D19E22 2.61 2.63 -8.57 -0.83 0
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42241 8149345 1 S2O3N5C17H23 A2B3C5D17E23 -37.89 6.14 -9.64 -1.24 0
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42242 8149347 1 OSN4C19H22 ABC4D19E22 3.96 2.36 -8.59 -0.85 1
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42243 8149348 1 OSN4C19H23 ABC4D19E23 14.84 6.64 0.0 0.0 0
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42244 8149349 1 OSN4C19H22 ABC4D19E22 3.05 2.79 -8.65 -0.91 1
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42245 8149350 1 OSN4C19H23 ABC4D19E23 15.99 7.13 0.0 0.0 0
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42246 8149351 1 OSN4C19H22 ABC4D19E22 1.6 1.21 -8.56 -0.8 1
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42247 8149352 1 OSN4C19H23 ABC4D19E23 17.59 6.44 0.0 0.0 0
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42248 8149353 1 OSN4C19H22 ABC4D19E22 3.47 1.6 -8.68 -0.95 0
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42249 8149354 1 S2O3N5C17H23 A2B3C5D17E23 -35.78 5.43 -9.81 -1.24 1
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42250 8149355 1 OSN4C19H23 ABC4D19E23 18.34 3.83 0.0 0.0 0
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42251 8149356 1 OSN4C19H22 ABC4D19E22 4.76 1.66 -8.65 -0.92 1
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42252 8149357 1 OSN4C19H23 ABC4D19E23 17.62 6.53 0.0 0.0 0
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42253 8149358 1 OSN4C19H22 ABC4D19E22 2.56 3.41 -8.66 -0.93 0