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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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181223 76718121 1 O2N4H41C47 A2B4C41D47 103.37 5.34 0.0 0.0 0
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181224 76718401 1 NO2C14H27 AB2C14D27 -134.82 3.28 -9.02 1.44 0
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181225 76718456 1 O4N7C36H47 A4B7C36D47 -135.08 2.63 -8.57 -0.82 0
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181226 76718490 1 O4N6C41H44 A4B6C41D44 -74.46 4.43 -8.65 -0.52 0
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181228 76718610 1 Na2S2O9H28C38 A2B2C9D28E38 -139.19 60.36 -7.4 -3.12 0
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181229 76718806 1 BrON2H17C18 ABC2D17E18 7.68 4.45 -9.13 -0.88 0
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181230 76718807 1 ON3C20H23 AB3C20D23 8.89 3.15 -8.17 -0.47 0
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181231 76719060 1 N2O3C14H16 A2B3C14D16 -59.69 2.97 -10.36 -1.54 0
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181232 76719061 1 O2N3C17H17 A2B3C17D17 6.57 5.09 -9.75 -1.43 0
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181233 76719062 1 FN2O3C17H21 AB2C3D17E21 -120.12 3.59 -10.53 -1.76 1
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181234 76719063 1 O5N6C28H33 A5B6C28D33 -89.54 5.34 0.0 0.0 0
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181235 76719764 1 F2O2N3C22H23 A2B2C3D22E23 -103.44 4.55 -8.41 -0.96 0
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181236 76719765 1 ON6C31H38 AB6C31D38 65.39 3.01 -8.37 -0.58 0
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181237 76719766 1 F3O3N4C28H31 A3B3C4D28E31 -172.65 3.48 -8.1 -1.29 0
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181238 76719767 1 O3N4C27H32 A3B4C27D32 -4.07 1.33 -7.98 -0.71 0
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181239 76719818 2 N2C10H11 A2B10C11 66.22 3.41 -8.66 -0.23 0
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181240 76719966 1 N2O3C13H14 A2B3C13D14 -61.74 3.32 -8.86 -0.91 0
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181241 76720072 1 FO2N6C19H19 AB2C6D19E19 37.3 2.39 -8.94 -1.13 0
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181242 76720143 1 ClO2N5H24C31 AB2C5D24E31 69.1 1.95 -9.0 -1.28 0
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181243 76720721 1 PN6O11C29H51 AB6C11D29E51 -559.18 12.64 -8.89 -0.21 -1
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181244 76721117 1 ClRuO3N4H37C40 ABC3D4E37F40 382.64 2.94 -6.58 -3.47 0
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181245 76721500 1 BrON4C18H23 ABC4D18E23 5.45 4.44 -8.34 -0.52 0
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181246 76721501 1 BrON5C19H20 ABC5D19E20 47.6 5.39 -8.28 -1.13 0
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181247 76721502 1 BrON6C19H21 ABC6D19E21 32.25 5.91 -8.49 -1.03 0
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181248 76721503 1 BrON4C19H27 ABC4D19E27 -28.5 5.49 -8.18 -0.37 0
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181249 76721504 1 BrON4C19H25 ABC4D19E25 2.6 5.46 -8.19 -0.38 -1
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181250 76722588 1 NSYO2C27H32 ABCD2E27F32 187.44 20.44 -6.05 -3.65 0
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181251 76722704 1 FON7C30H32 ABC7D30E32 42.54 4.29 -8.26 -0.76 0
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181252 76722737 1 FO3N5C24H24 AB3C5D24E24 -55.5 8.25 -9.08 -1.02 0
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181253 76722811 1 FSO4N6H31C32 ABC4D6E31F32 -66.22 9.85 -8.98 -1.06 0
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181254 76722812 1 FO2N5C20H20 AB2C5D20E20 -39.36 3.12 -8.54 -1.01 0
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181255 76722860 1 N4O5C20H34 A4B5C20D34 -235.18 5.43 -9.53 0.06 0
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181256 76722861 1 N4O6C23H32 A4B6C23D32 -219.91 5.04 -8.61 -0.26 0
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181257 76722862 1 N3O4C22H31 A3B4C22D31 -135.34 6.25 -9.17 0.18 0
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181258 76723641 1 F3N3O3C28H36 A3B3C3D28E36 -265.57 6.44 -8.74 -0.76 0
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181259 76723642 1 NO4C20H27 AB4C20D27 -156.4 3.44 -8.33 -0.07 0
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181260 76723643 1 NO2C9H15 AB2C9D15 11.7 5.19 -9.72 -1.25 0
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181261 76723644 1 SO2N9C17H21 AB2C9D17E21 40.01 5.07 -9.02 -1.24 0
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181262 76723645 1 N7C19H23 A7B19C23 107.97 1.72 -8.51 -0.74 1
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181263 76724273 1 BrNO3C45H89 ABC3D45E89 -236.04 2.25 0.0 0.0 0
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181264 76724546 1 S2N5O7C35H45 A2B5C7D35E45 -239.53 10.03 -9.11 -0.52 0
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181265 76724789 1 ClF2N3O3C22H26 AB2C3D3E22F26 -166.89 3.73 -8.9 -0.6 0
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181266 76725205 1 ClFN2O3C27H34 ABC2D3E27F34 -189.09 3.94 -9.38 -0.24 0
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181267 76725361 1 ClN3O3C32H36 AB3C3D32E36 -89.14 3.99 -9.41 -0.58 0
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181268 76725585 1 ClN2O5C28H31 AB2C5D28E31 -177.69 4.71 -9.53 -1.25 0
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181269 76725586 1 ClN2O4C26H33 AB2C4D26E33 -179.03 4.09 -9.48 -0.32 0
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181270 76725877 1 ClN2F3O3C23H32 AB2C3D3E23F32 -333.17 5.75 -9.39 -0.12 0
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181271 76725878 1 ClN2O4C32H37 AB2C4D32E37 -146.36 3.9 -8.98 -0.48 0
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181272 76725879 1 ClSN3O3C22H30 ABC3D3E22F30 -119.9 3.46 -9.04 -0.6 0
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181273 76726662 1 S2Cl3O4C26H31 A2B3C4D26E31 -193.44 0.57 -8.79 -0.94 0