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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227201 87560558 1 N2O4F5H13C17 A2B4C5D13E17 -317.95 4.46 -10.02 -1.23 0
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227202 87560561 1 SH12C15 AB12C15 59.39 1.8 -8.41 -1.08 0
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227203 87560565 1 ClFSO2N4C22H24 ABCD2E4F22G24 -67.55 5.71 -9.1 -0.92 0
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227204 87560571 1 ClNSO3C4H4 ABCD3E4F4 -104.93 6.84 -9.86 -0.36 0
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227205 87560572 1 ClKNSO3C4H4 ABCDE3F4G4 -154.04 7.58 0.0 0.0 0
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227206 87560573 1 Cl2O3C6H8 A2B3C6D8 -150.0 3.91 -10.8 -0.7 0
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227207 87560590 1 OSSiC7H16 ABCD7E16 -61.69 4.11 -7.58 0.24 0
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227208 87560593 1 O4C5H6 A4B5C6 -159.52 7.2 -10.84 -0.83 0
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227209 87560598 1 SN3C9H21 AB3C9D21 -21.04 7.3 -8.29 0.58 0
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227210 87560599 2 NSiO6C17H30 ABC6D17E30 -735.31 7.56 -9.44 -1.28 1
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227211 87560601 1 NO3C18H36 AB3C18D36 -136.21 3.88 0.0 0.0 0
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227212 87560633 1 ClKSO3H9C14 ABCD3E9F14 -136.68 9.87 0.0 0.0 0
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227215 87560638 2 N2O2C23H36 A2B2C23D36 -176.59 3.9 -9.24 -1.22 0
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227216 87560649 1 SN2O4C17H32 AB2C4D17E32 -239.91 1.49 -8.8 0.38 0
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227217 87560652 1 NSO5C30H51 ABC5D30E51 -261.22 6.11 -9.53 -0.53 0
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227218 87560682 1 O5C8H12 A5B8C12 -235.23 5.88 -10.74 -0.2 0
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227219 87560683 1 NO3C10H15 AB3C10D15 -125.02 2.05 -10.25 -0.27 -1
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227220 87560684 1 FeO2C4H5 AB2C4D5 33.28 6.1 0.0 0.0 0
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227221 87560688 1 Si2O6C13H34 A2B6C13D34 -464.84 4.67 -8.98 0.86 0
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227222 87560696 2 OC3F3H4 AB3C3D4 -410.0 5.11 -11.08 0.3 0
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227223 87560707 1 Cl2S6N14O20H32C45 A2B6C14D20E32F45 -462.54 3.68 -9.06 -2.31 0
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227226 87560723 1 ZrF4O4C14H28 AB4C4D14E28 -565.91 6.23 -8.12 0.14 0
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227228 87560726 1 N2O3C7H12 A2B3C7D12 -126.39 3.93 -10.13 -0.37 0
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227229 87560727 1 N2O3C7H12 A2B3C7D12 -134.93 4.31 -9.43 -0.3 0
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227230 87560728 1 SN3O3H11C13 AB3C3D11E13 -29.16 7.63 -9.61 -1.24 0
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227231 87560731 1 N2O2C27H32 A2B2C27D32 -27.08 1.97 -8.47 -0.54 0
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227232 87560732 1 O6C9H10 A6B9C10 -229.24 5.51 -11.32 -1.68 0
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227233 87560739 1 ClO3N4H21C25 AB3C4D21E25 -2.82 2.62 -8.45 -1.13 0
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227234 87560747 1 O2F7H13C14 A2B7C13D14 -415.45 4.49 -10.11 -1.0 0
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227235 87560749 1 O3C17H34 A3B17C34 -138.09 3.39 -10.26 -0.25 0
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227236 87560758 1 ClFO4N5C30H33 ABC4D5E30F33 -108.7 3.52 -8.95 -1.21 0
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227237 87560765 1 BrClNO4H9C11 ABCD4E9F11 -112.95 9.58 -10.24 -1.63 0
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227238 87560766 1 ClFSO2N4C22H24 ABCD2E4F22G24 -62.11 3.05 -9.12 -0.95 0
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227239 87560769 1 NO2H21C28 AB2C21D28 51.03 3.66 -9.38 -1.22 0
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227240 87560778 1 S2N7O9C23H23 A2B7C9D23E23 -120.26 8.5 -9.43 -2.24 0
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227241 87560782 1 SN2F4O5H12C14 AB2C4D5E12F14 -330.14 3.21 -9.67 -2.1 -1
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227242 87560787 1 ClN3S4O10H13C17 AB3C4D10E13F17 -228.26 6.95 0.0 0.0 0
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227243 87560789 1 ClOF3N4C14H14 ABC3D4E14F14 -99.83 3.45 -9.51 -1.31 0
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227244 87560800 1 ClF2S2N8O8C44H49 AB2C2D8E8F44G49 -277.93 8.68 -9.68 -1.62 0
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227245 87560805 1 N2O3C6H6 A2B3C6D6 -78.04 3.52 -10.45 -0.63 0
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227246 87560831 2 NOC5H7 ABC5D7 -26.5 3.71 -9.2 -0.17 0
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227247 87560835 1 Cl2O3N4C9H22 A2B3C4D9E22 -178.78 6.08 -9.92 0.15 0
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227248 87560844 1 NO2C8H13 AB2C8D13 -66.69 3.13 -9.11 0.04 0
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227249 87560846 1 IO5C31H37 AB5C31D37 -175.34 3.14 -9.52 -0.76 0
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227250 87560855 1 N2Si4O9C32H56 A2B4C9D32E56 -504.23 16.57 -9.26 -0.89 1
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227251 87560865 1 ClSO2N3H15C18 ABC2D3E15F18 -8.98 8.23 0.0 0.0 0
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227252 87560866 1 ClSO2N3H16C18 ABC2D3E16F18 -7.16 10.01 -8.84 -0.68 0
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227253 87560875 1 BrSiC17H25 ABC17D25 7.93 2.22 -9.17 -0.2 0
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227254 87560890 2 NH2O3C5 AB2C3D5 -79.23 5.75 -10.33 -1.96 2
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227255 87560892 1 N2O4C27H56 A2B4C27D56 -283.63 5.66 -8.24 0.6 0