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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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61251 26707417 1 ClO2N5H24C25 AB2C5D24E25 18.56 9.3 -9.29 -0.79 0
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61252 26707434 1 ClN3O3H20C21 AB3C3D20E21 -66.83 4.66 -9.27 -1.07 0
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61253 26707462 1 SN3O4C21H23 AB3C4D21E23 -83.97 6.4 -9.02 -1.13 0
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61254 26707464 1 FN4O4C25H27 AB4C4D25E27 -125.32 6.89 -8.83 -0.99 1
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61255 26707476 1 FSO3N4C24H34 ABC3D4E24F34 -112.1 8.85 0.0 0.0 1
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61256 26707479 1 ClFSO3N4C23H31 ABCD3E4F23G31 -115.78 7.88 0.0 0.0 0
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61257 26707497 1 ClO3N4H19C21 AB3C4D19E21 -11.07 2.96 -9.15 -0.91 0
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61258 26707509 2 ON2H10C11 AB2C10D11 39.78 4.41 -8.88 -0.95 0
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61259 26707512 1 SN4O5C21H26 AB4C5D21E26 -132.68 3.77 -9.12 -0.64 0
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61260 26707513 1 ClS3N4O4C17H17 AB3C4D4E17F17 -31.84 2.91 -9.27 -1.45 0
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61261 26707521 1 BrFSN2O3H16C19 ABCD2E3F16G19 -81.07 4.55 -8.95 -0.83 0
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61262 26707530 1 SF2O2N4H16C22 AB2C2D4E16F22 -42.68 9.1 -8.7 -1.18 0
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61263 26707535 1 FS2O3N4H21C23 AB2C3D4E21F23 -59.65 4.58 -8.85 -1.32 0
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61264 26707566 1 ClSN2O3F4H13C17 ABC2D3E4F13G17 -250.75 4.78 -9.56 -1.47 0
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61265 26707569 1 SF4N4O4H18C21 AB4C4D4E18F21 -227.15 4.97 -9.77 -1.55 0
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61266 26707587 1 BrN4O6C19H25 AB4C6D19E25 -218.61 5.42 -9.15 -0.6 0
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61267 26707598 1 SN3O3C23H27 AB3C3D23E27 -57.4 6.83 -9.55 -1.45 0
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61268 26707642 1 SO3N5C26H27 AB3C5D26E27 -3.19 8.9 -9.27 -1.19 0
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61269 26707645 1 BrSN2O5C21H25 ABC2D5E21F25 -162.17 5.04 -9.31 -0.86 0
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61270 26707663 1 SN3O4C23H29 AB3C4D23E29 -144.93 10.19 -9.07 -0.66 0
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61271 26707728 1 SN3O4C22H25 AB3C4D22E25 -97.59 9.72 -8.48 -1.31 0
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61272 26707732 1 FSN3O3C21H26 ABC3D3E21F26 -131.16 9.83 -8.85 -0.65 0
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61273 26707744 1 SN4O5C23H30 AB4C5D23E30 -175.0 8.98 -8.92 -0.61 0
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61274 26707748 1 SN3O6C24H33 AB3C6D24E33 -200.56 9.44 -8.82 -0.44 0
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61275 26707761 1 ClN2O2F4H11C16 AB2C2D4E11F16 -222.88 5.88 -9.29 -1.16 0
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61276 26707867 1 NSO3C20H23 ABC3D20E23 -65.09 5.41 -8.56 -0.21 0
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61277 26707894 1 FSO3N4H21C23 ABC3D4E21F23 -29.58 2.35 -8.71 -1.12 0
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61278 26707897 1 BrClFNO3H12C15 ABCDE3F12G15 -121.53 3.35 -8.38 -1.14 0
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61279 26707938 1 FSN4O4C23H25 ABC4D4E23F25 -129.24 12.21 -8.94 -1.18 0
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61280 26707942 2 SN2O2C11H11 AB2C2D11E11 -65.08 8.02 -8.8 -1.32 0
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61281 26707943 1 BrSN2O4H17C18 ABC2D4E17F18 -82.37 4.03 -8.71 -0.7 0
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61282 26707957 1 SF3O3N4H17C23 AB3C3D4E17F23 -145.19 7.33 -9.31 -0.99 0
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61283 26707959 1 F3N3O3H22C27 A3B3C3D22E27 -211.61 6.88 -8.95 -0.76 0
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61284 26707962 1 N2F3O3H17C23 A2B3C3D17E23 -202.44 4.02 -9.11 -0.87 0
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61285 26707971 1 FS2N3O3C22H22 AB2C3D3E22F22 -98.03 6.17 -8.54 -1.16 0
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61286 26707977 1 ClSN2O4C23H25 ABC2D4E23F25 -115.36 1.8 -9.12 -1.49 0
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61287 26707985 1 O2F4N4H18C21 A2B4C4D18E21 -188.19 13.34 -8.84 -1.13 0
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61288 26707987 1 SN3O3F4C21H23 AB3C3D4E21F23 -287.51 10.61 -9.13 -0.9 0
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61289 26707991 1 S2F3N3O3H20C22 A2B3C3D3E20F22 -192.1 4.14 -9.29 -1.44 0
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61290 26707993 1 FSO2N4H17C19 ABC2D4E17F19 -56.12 6.64 -8.46 -0.81 0
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61291 26708001 1 FN3O3H24C25 AB3C3D24E25 -85.56 7.68 -8.32 -0.5 0
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61292 26708009 1 F2O2N5H19C26 A2B2C5D19E26 -24.33 12.71 -8.14 -1.27 0
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61293 26708018 1 SO3N4C24H28 AB3C4D24E28 -35.56 7.33 -8.76 -0.74 0
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61294 26708027 1 SN3O4C22H29 AB3C4D22E29 -156.38 3.02 -8.94 -0.43 0
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61295 26708032 1 SO4N6C21H26 AB4C6D21E26 -41.34 4.5 -9.12 -0.98 0
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61296 26708040 1 ClFN2O2H10C15 ABC2D2E10F15 -47.55 4.65 -8.81 -1.14 0
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61297 26708043 1 ClN2O3H13C17 AB2C3D13E17 -43.47 3.74 -8.8 -0.49 0
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61298 26708044 1 FSN3O4C20H20 ABC3D4E20F20 -128.56 6.75 -8.45 -1.19 0
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61299 26708051 1 SN2O4C22H24 AB2C4D22E24 -103.31 5.05 -9.19 -1.21 0
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61300 26708056 1 ClS2N3O3C20H22 AB2C3D3E20F22 -50.25 8.14 -9.13 -1.01 0
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61301 26708058 1 ClFN2S2O3C19H22 ABC2D2E3F19G22 -135.47 5.37 -9.13 -0.74 0
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61302 26708060 1 ClSN3O5H22C24 ABC3D5E22F24 -57.92 6.12 -9.18 -1.7 0
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61303 26708062 1 BrClNO3C17H17 ABCD3E17F17 -85.44 5.13 -9.19 -0.51 0
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61304 26708071 1 ClN3O4H12C14 AB3C4D12E14 -62.6 4.36 -9.71 -1.9 0
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61305 26708073 1 FSCl2N2O3H17C18 ABC2D2E3F17G18 -129.97 3.23 -9.25 -1.26 0
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61306 26708080 1 S2O3N5C23H23 A2B3C5D23E23 8.1 1.89 -8.4 -1.05 0
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61307 26708081 1 ClFSO2N3H19C21 ABCD2E3F19G21 -69.29 2.26 -8.44 -1.15 0
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61308 26708084 1 FSO3N5H24C25 ABC3D5E24F25 -51.26 9.09 -8.7 -0.91 0
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61309 26708085 1 BrFSN2O4C18H18 ABCD2E4F18G18 -157.19 7.94 -9.21 -1.27 0
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61310 26708115 1 ClFSN2O5H20C21 ABCD2E5F20G21 -183.1 4.86 -9.45 -1.08 0
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61311 26708116 1 ClFSN2O5H20C21 ABCD2E5F20G21 -181.12 8.72 -9.17 -0.94 0
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61312 26708120 1 OCl2F3N3H14C18 AB2C3D3E14F18 -142.42 4.16 -9.4 -0.87 0
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61313 26708123 1 SCl2O2N3H15C17 AB2C2D3E15F17 -49.68 4.93 -9.19 -1.52 0
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61314 26708125 1 FCl2O2N3H16C20 AB2C2D3E16F20 -53.44 7.69 -9.29 -1.03 0
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61315 26708126 1 FCl2O2N3H16C20 AB2C2D3E16F20 -51.29 9.53 -9.53 -1.06 0
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61316 26708128 1 SCl2N3O3C21H21 AB2C3D3E21F21 -65.91 7.31 -9.42 -1.13 0
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61317 26708130 1 NBr2O3C17H17 AB2C3D17E17 -75.23 3.51 -9.27 -0.56 0
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61318 26708164 1 BrFNSO4H17C18 ABCDE4F17G18 -162.43 3.0 -9.45 -0.9 0
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61319 26708170 1 FO3N4C23H23 AB3C4D23E23 -84.48 12.13 -8.78 -1.21 0
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61320 26708174 1 FN2O3H21C22 AB2C3D21E22 -86.15 8.14 -9.18 -1.0 0
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61321 26708186 1 BrNF3O3H17C18 ABC3D3E17F18 -239.45 5.79 -9.29 -0.72 0
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61322 26708188 1 SN2F3O5H21C22 AB2C3D5E21F22 -324.37 8.78 -10.12 -1.97 0
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61323 26708191 1 NF3O3C20H20 AB3C3D20E20 -236.01 5.31 -9.0 -0.56 0
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61324 26708194 1 N2O2F3C20H21 A2B2C3D20E21 -224.82 5.49 -9.78 -0.6 0
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61325 26708197 1 OSF2N2H16C19 ABC2D2E16F19 -66.14 5.0 -9.15 -1.07 0