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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25243 621390 2 NH8C9 AB8C9 86.3 1.09 -8.47 -0.32 0
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25244 621391 1 ClO3H9C14 AB3C9D14 -51.75 3.05 -9.24 -0.98 0
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25245 621470 1 NO2S2H25C26 AB2C2D25E26 14.66 6.87 -8.41 -0.64 0
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25246 621615 1 O3N4C12H14 A3B4C12D14 64.39 3.23 -9.65 -1.42 0
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25247 621616 1 N2O3C14H18 A2B3C14D18 6.02 11.44 -7.18 -1.08 0
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25248 621617 1 SeN2O3C8H10 AB2C3D8E10 -103.3 4.24 -9.3 -1.06 0
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25249 621618 1 O3C18H26 A3B18C26 -129.73 5.91 -9.61 -0.19 0
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25250 621619 1 NC20H23 AB20C23 82.61 1.18 -8.77 -0.15 0
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25251 621623 1 OSN3F6H7C10 ABC3D6E7F10 -296.14 5.09 -9.36 -1.12 0
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25252 621646 1 ON2H14C17 AB2C14D17 41.73 2.74 -8.4 -0.74 0
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25253 621648 1 ON2H14C17 AB2C14D17 42.17 4.02 -8.51 -0.75 0
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25254 621649 2 OS2C5H5 AB2C5D5 -37.57 3.34 -7.84 -0.82 0
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25255 621650 1 O4S4C13H14 A4B4C13D14 -125.45 4.43 -7.94 -1.21 0
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25256 621652 1 O2F3H11C15 A2B3C11D15 -205.93 5.8 -10.18 -0.89 0
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25257 621655 2 OH7C9 AB7C9 12.96 1.96 -8.8 -0.3 0
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25258 621657 1 BrN2H11C12 AB2C11D12 70.82 1.65 -8.88 -0.27 0
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25259 621683 1 BrPC25H30 ABC25D30 27.28 5.57 -8.59 -0.15 0
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25261 621697 1 PC32H44 AB32C44 16.35 8.0 0.0 0.0 0
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25262 621699 1 BrPC21H21 ABC21D21 72.0 8.55 0.0 0.0 0
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25263 621781 1 OCl2H8C14 AB2C8D14 11.99 0.77 -9.04 -1.18 -6
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25264 621783 1 WO3H8C9 AB3C8D9 140.13 7.63 -7.48 0.25 0
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25265 621787 1 BrNOH12C13 ABCD12E13 0.79 6.99 -8.86 -0.71 0
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25266 621966 1 SO2N3C14H19 AB2C3D14E19 -33.06 3.44 -9.24 -0.23 0
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25267 621982 1 SN3O3C11H11 AB3C3D11E11 -6.61 8.02 -9.6 -1.44 0
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25268 622071 1 OCl2N2H6C12 AB2C2D6E12 59.25 2.91 -9.09 -1.95 0
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25269 622072 1 OCl2N2H6C12 AB2C2D6E12 59.24 1.2 -8.99 -1.96 0
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25270 622085 2 O2H6C9 A2B6C9 -70.28 7.52 -9.18 -1.92 0
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25271 622086 1 O3N4H8C15 A3B4C8D15 105.75 4.22 -9.89 -2.57 0
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25272 622087 1 NOC20H23 ABC20D23 -6.3 2.68 -9.4 0.23 0
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25273 622094 1 NO5C23H31 AB5C23D31 -235.62 1.2 -8.59 0.36 0
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25274 622095 1 N2O2F3H17C18 A2B2C3D17E18 -203.43 3.49 -9.45 -1.0 0
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25275 622113 1 NO3H11C16 AB3C11D16 26.69 6.93 -9.26 -1.46 0
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25276 622139 1 S2O3C20H22 A2B3C20D22 -88.49 1.76 -8.72 -0.25 0
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25277 622141 1 OSiC19H36 ABC19D36 -157.55 1.72 -9.02 1.4 0
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25278 622150 1 ON3H15C16 AB3C15D16 49.84 0.72 -8.48 -1.52 0
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25279 622151 1 ClNO4H8C12 ABC4D8E12 -43.47 3.65 -9.46 -1.54 0
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25280 622170 1 SO2N3C12H15 AB2C3D12E15 -14.81 4.94 -8.94 -0.52 0
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25281 622235 1 NO3H19C20 AB3C19D20 -0.97 7.97 -8.81 -1.35 0
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25282 622236 1 N2F6H12C15 A2B6C12D15 -274.21 4.34 -8.75 -0.09 0
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25283 622237 1 NSO5C16H19 ABC5D16E19 -198.68 3.16 -9.18 -1.35 0
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25284 622241 1 OSN2H18C21 ABC2D18E21 72.75 3.47 -8.4 -0.4 0
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25285 622242 1 BrSN2H13C16 ABC2D13E16 88.43 2.01 -8.19 -0.94 0
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25286 622245 2 O2C11H12 A2B11C12 -130.35 2.06 -8.72 -0.15 0
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25287 622247 1 Cl2N2C33H46 A2B2C33D46 -50.36 4.81 -9.4 -1.17 0
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25288 622249 2 N2C8H9 A2B8C9 61.88 4.73 -8.43 -0.56 0
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25289 622265 2 NOH7C8 ABC7D8 14.74 2.23 -8.99 -0.7 0
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25290 622278 1 ON2C17H18 AB2C17D18 25.35 5.02 -8.18 -0.46 0
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25291 622279 1 FN2O3H17C23 AB2C3D17E23 -94.87 2.31 -9.22 -1.46 0
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25292 622280 1 NO3H23C25 AB3C23D25 -12.33 1.56 -8.82 -0.62 0
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25293 622281 1 NO3H25C26 AB3C25D26 -23.16 4.79 -8.84 -0.54 0