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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23263 602951 1 NSeH5C7 ABC5D7 96.23 3.32 -8.42 -1.23 0
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23264 602953 1 OSiC11H22 ABC11D22 -122.31 0.97 -8.99 1.28 0
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23266 602956 1 NiSi2C7H18 AB2C7D18 13.04 0.56 -7.44 -0.53 0
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23267 602958 6 CH AB 24.19 0.0 -9.64 0.38 -2
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23268 602959 2 BrNOH7C8 ABCD7E8 -33.1 2.69 -9.8 -0.65 0
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23269 602960 3 NC5H5 AB5C5 81.83 3.47 -8.75 -0.5 0
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23270 602961 1 NO4C8H9 AB4C8D9 -68.46 5.8 -9.78 -1.2 0
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23271 602962 2 NOC9H9 ABC9D9 -18.46 0.98 -8.83 -0.26 0
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23272 602963 1 SN3O6C7H7 AB3C6D7E7 -69.76 3.67 -10.15 -1.99 0
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23273 602966 1 OSN3C7H9 ABC3D7E9 -4.53 5.1 -9.06 -0.84 0
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23274 602967 1 BrO2C13H17 AB2C13D17 -84.35 3.02 -9.88 -0.77 0
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23275 602968 1 NSI2H5C11 ABC2D5E11 104.07 2.63 -8.95 -1.58 0
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23276 602975 1 SN2O2H18C19 AB2C2D18E19 10.11 7.71 -8.67 -0.78 0
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23277 602976 1 SN2O2C16H20 AB2C2D16E20 -39.91 4.17 -9.0 -0.78 0
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23278 602977 1 ON2C20H24 AB2C20D24 -16.61 3.74 -8.99 -0.03 0
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23279 602984 1 N3O3C21H35 A3B3C21D35 -166.9 5.27 -8.95 0.27 0
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23280 602985 1 ON2C12H24 AB2C12D24 -84.03 2.5 -8.68 1.18 0
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23281 602986 1 PO5C15H21 AB5C15D21 -251.28 3.47 -9.72 -0.61 0
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23282 602988 1 SeN2H10C14 AB2C10D14 124.6 2.49 -8.93 -0.73 0
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23283 602990 2 OC11H13 AB11C13 -49.75 3.65 -9.39 0.16 0
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23284 602996 1 OSC17H18 ABC17D18 13.38 1.35 -8.45 0.13 0
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23285 602997 2 O2H9C11 A2B9C11 -78.9 3.9 -9.52 -0.87 0
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23286 602998 2 NOC12H12 ABC12D12 -0.44 3.36 -8.43 -0.18 0
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23287 603006 1 SO2N5C9H11 AB2C5D9E11 22.23 8.19 -10.59 -1.02 0
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23288 603011 1 ClOSiC11H21 ABCD11E21 -130.2 2.55 -9.2 0.88 0
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23289 603014 1 FON2H11C15 ABC2D11E15 4.96 4.72 -9.21 -1.2 0
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23290 603015 1 SO5C11H12 AB5C11D12 -187.75 3.24 -10.78 -1.71 0
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23291 603016 1 NOSC9H13 ABCD9E13 -23.79 2.37 -8.06 -0.1 0
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23292 603017 1 FeP2O3H22C28 AB2C3D22E28 -9.16 1.94 -7.48 0.25 0
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23293 603018 1 PO5C7H15 AB5C7D15 -261.15 3.77 -9.58 0.34 0
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23294 603019 1 N2O5C11H16 A2B5C11D16 -156.88 2.27 -9.59 -0.16 0
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23295 603020 1 OSiC26H40 ABC26D40 -97.8 2.33 -9.23 -0.03 0
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23296 603021 1 Cl2O3N6C14H14 A2B3C6D14E14 -19.08 6.19 -9.45 -1.08 0
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23297 603022 1 ClOSF3N3H7C11 ABCD3E3F7G11 -120.12 5.3 -9.79 -1.52 0
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23298 603023 1 ON3C9H17 AB3C9D17 -47.65 4.61 -9.16 0.55 0
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23299 603025 4 HC2F2 AB2C2 -367.05 0.0 -12.5 0.71 0
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23300 603028 1 N2O3C18H18 A2B3C18D18 -95.73 2.3 -9.05 -0.7 0
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23301 603033 1 ClO2C10H11 AB2C10D11 -78.17 2.16 -9.54 -0.21 0
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23302 603037 1 OSiC19H26 ABC19D26 -66.59 2.29 -9.2 -0.06 0
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23303 603038 1 N3H9C11 A3B9C11 83.41 6.14 -8.86 -1.05 0
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23304 603039 1 O3H20C23 A3B20C23 -40.67 2.21 -8.46 -0.37 0
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23305 603040 1 SN2O2C18H18 AB2C2D18E18 -30.2 5.27 -8.41 -0.76 0
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23306 603042 1 SN2O2C18H18 AB2C2D18E18 -19.3 7.89 -8.75 -1.08 0
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23307 603043 1 SN2O2C18H18 AB2C2D18E18 -19.09 8.26 -8.65 -0.84 0
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23308 603044 1 NO3C20H29 AB3C20D29 -104.25 4.4 -9.31 -0.67 0
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23309 603045 1 F2N2O3C14H14 A2B2C3D14E14 -193.7 5.45 -9.49 -0.63 0
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23310 603046 1 IN2O3C14H15 AB2C3D14E15 -85.5 4.66 -9.32 -0.82 0
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23311 603049 1 NSO2C8H9 ABC2D8E9 -15.62 3.63 -9.23 -0.91 0
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23312 603051 1 NOH9C12 ABC9D12 19.53 5.02 -9.33 -1.11 0
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23313 603052 1 NOH9C12 ABC9D12 46.34 2.99 -9.37 -1.71 0
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23314 603053 1 ClNO2H6C8 ABC2D6E8 -54.09 3.41 -9.29 -0.7 0
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23315 603055 2 ClON2H9C10 ABC2D9E10 24.65 8.89 -8.59 -1.25 0
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23316 603056 1 N2O3C12H20 A2B3C12D20 -161.72 3.42 -9.41 -0.37 0
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23317 603057 1 ClNO3C12H16 ABC3D12E16 -152.0 4.68 -9.32 -0.94 0
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23318 603058 1 N2O3C9H14 A2B3C9D14 -146.59 3.59 -9.48 -0.39 0
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23319 603062 3 C5H6 A5B6 56.94 1.78 -8.63 0.11 0
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23320 603090 1 SO2N3H17C18 AB2C3D17E18 -0.79 6.87 -8.57 -0.69 0
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23321 603091 1 OSiC22H32 ABC22D32 -81.89 2.46 -9.24 0.03 0
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23322 603092 1 ON2C14H16 AB2C14D16 20.98 1.55 -7.89 -0.81 0
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23323 603097 1 FNO5C13H16 ABC5D13E16 -219.02 4.43 -8.98 -1.0 0
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23324 603098 1 OS4C18H22 AB4C18D22 12.61 2.49 -8.49 -1.0 0
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23325 603100 1 O2N4C17H18 A2B4C17D18 21.03 4.52 -8.87 -1.1 0
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23326 603101 2 NSO5H8C12 ABC5D8E12 -132.33 3.87 -9.4 -2.18 0
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23327 603103 1 SN3O5H13C18 AB3C5D13E18 -42.23 9.85 -8.67 -1.88 0
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23328 603107 1 BrO2C17H25 AB2C17D25 -104.24 1.94 -10.02 -0.97 0
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23329 603109 2 BrO2H4C5 AB2C4D5 -81.28 3.0 -9.53 -1.94 0
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23330 603111 1 BrN2O3H9C15 AB2C3D9E15 -61.26 1.71 -9.76 -1.58 0
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23331 603117 1 BrO3H9C14 AB3C9D14 -49.81 2.76 -9.75 -1.24 0
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23332 603125 1 BrO2C23H37 AB2C23D37 -134.02 3.49 -9.87 -0.87 0
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23333 603126 1 BrO2C11H13 AB2C11D13 -76.17 1.81 -10.03 -0.98 0
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23334 603128 1 BrO3C11H11 AB3C11D11 -100.32 2.38 -10.04 -1.03 0
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23335 603130 1 BrO2C19H25 AB2C19D25 -50.43 3.06 -9.88 -0.8 0
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23336 603131 1 BrO2C12H15 AB2C12D15 -81.21 1.82 -10.03 -0.98 0
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23337 603135 1 BrO2C12H15 AB2C12D15 -83.97 2.32 -9.99 -0.92 0
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23338 603144 1 BrO2H5C8 AB2C5D8 -47.17 3.95 -10.32 -1.28 0
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23339 603146 1 BrSN3O3H10C15 ABC3D3E10F15 31.6 3.74 -9.42 -1.85 0
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23340 603148 1 BrNO2C13H16 ABC2D13E16 -72.04 5.57 -9.19 -0.56 0
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23341 603149 1 BrO2C17H17 AB2C17D17 -52.71 1.42 -9.06 -1.1 0
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23342 603151 1 OBr2N2Cl3H11C15 AB2C2D3E11F15 -8.87 3.83 -8.96 -1.08 0
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23343 603152 1 BrOSN2H13C16 ABCD2E13F16 31.2 5.8 -9.05 -1.13 0
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23344 603153 2 BrO3H8C12 AB3C8D12 -142.08 1.39 -10.05 -1.15 0
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23345 603155 1 BrN2O4H9C16 AB2C4D9E16 13.76 3.68 -9.73 -2.1 0
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23346 603156 1 BrNO2H14C20 ABC2D14E20 2.39 3.8 -9.19 -1.08 0
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23347 603157 1 ClNBr2O2H12C20 ABC2D2E12F20 -2.28 2.8 -9.24 -1.28 0
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23348 603158 1 BrNO2H12C15 ABC2D12E15 -31.51 6.23 -9.32 -1.06 0
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23349 603159 1 BrOSN2H15C18 ABCD2E15F18 22.3 4.58 -8.57 -1.19 0
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23350 603163 1 BrN2O2H13C17 AB2C2D13E17 -2.46 4.08 -8.35 -0.79 0
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23351 603164 1 BrNO2F4H12C16 ABC2D4E12F16 -232.82 2.15 -8.88 -0.91 0
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23352 603168 1 BrO2N3H10C13 AB2C3D10E13 7.32 1.86 -9.38 -1.18 0
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23353 603184 1 BrO2H13C16 AB2C13D16 -16.59 3.06 -9.18 -0.81 0
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23354 603185 1 BrON2H13C16 ABC2D13E16 37.96 4.52 -9.03 -0.78 0
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23355 603186 1 BrN2O3H9C15 AB2C3D9E15 71.82 1.59 -9.96 -1.78 0
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23356 603188 1 BrNOH14C15 ABCD14E15 -6.77 2.96 -8.75 -0.82 0
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23357 603191 1 BrNSO3C16H16 ABCD3E16F16 -98.82 1.03 -8.84 -1.08 0
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23358 603196 1 BrO2C17H19 AB2C17D19 -82.25 3.52 -9.83 -0.76 0
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23359 603199 1 BrN4O5H9C13 AB4C5D9E13 34.96 3.28 -9.74 -1.95 0
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23360 603205 1 BrNSO3C16H16 ABCD3E16F16 -103.6 1.58 -8.6 -1.09 0
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23361 603207 1 BrON2H9C12 ABC2D9E12 19.31 6.47 -9.06 -1.0 0
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23362 603209 1 BrINOH11C14 ABCDE11F14 13.12 5.51 -8.78 -0.97 0
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23363 603210 1 BrClNOH11C14 ABCDE11F14 -10.29 4.63 -8.89 -0.93 0