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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228138 87563512 1 O3N6C22H24 A3B6C22D24 -25.98 5.9 -8.8 -0.83 0
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228139 87563513 1 BrNO3H16C19 ABC3D16E19 -35.63 3.88 -8.8 -0.97 0
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228140 87563514 1 BrN3O3H14C17 AB3C3D14E17 -43.42 7.46 -9.56 -1.18 0
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228141 87563515 1 O2S2N3H11C13 A2B2C3D11E13 -0.92 6.87 -9.07 -1.17 0
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228143 87563523 1 ClNOF3H5C8 ABCD3E5F8 -165.39 7.85 -9.2 -1.51 0
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228144 87563524 1 O3C8H16 A3B8C16 -144.56 1.09 -9.82 0.51 0
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228145 87563525 1 O2N3H13C17 A2B3C13D17 100.56 8.51 -6.69 -1.16 0
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228146 87563526 1 NO2F4H19C21 AB2C4D19E21 -251.33 7.16 -9.28 -0.8 0
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228147 87563527 1 BNaN8C12H12 ABC8D12E12 10.98 2.28 -8.54 1.05 0
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228148 87563528 1 O2N5F6C20H21 A2B5C6D20E21 -309.03 12.22 -8.97 -1.01 0
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228149 87563530 1 ClN6C15H17 AB6C15D17 79.97 4.62 -8.67 -0.76 1
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228150 87563531 1 N6C30H41 A6B30C41 89.34 5.79 0.0 0.0 0
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228151 87563533 2 OSC7H14 ABC7D14 -144.12 4.84 -8.79 0.24 0
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228152 87563534 1 OSN2C10H22 ABC2D10E22 -56.24 3.69 -8.59 -0.18 0
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228153 87563535 1 ClO2N3C17H24 AB2C3D17E24 -107.63 7.33 -9.87 -0.6 0
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228154 87563537 1 OSC14H28 ABC14D28 -102.99 4.13 -9.78 -0.15 0
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228155 87563538 1 NP2S2C52H109 AB2C2D52E109 -362.32 6.55 -8.78 0.21 0
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228156 87563544 1 SCl2O2N3C15H15 AB2C2D3E15F15 -51.84 9.36 -8.29 -0.93 0
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228157 87563547 1 NaO3C4H8 AB3C4D8 -132.73 8.22 0.0 0.0 0
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228158 87563548 1 OH14C16 AB14C16 47.29 2.53 -8.24 -0.2 0
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228159 87563550 1 N2O3S3H6C9 A2B3C3D6E9 42.66 2.61 -9.12 -1.93 0
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228160 87563551 1 NO3H19C20 AB3C19D20 -45.44 3.77 -8.65 -0.91 0
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228161 87563552 1 ClO2N3C14H20 AB2C3D14E20 -95.42 6.34 -9.86 -1.01 0
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228162 87563553 1 ClN2S2O3H5C9 AB2C2D3E5F9 -24.93 5.82 -9.9 -1.85 0
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228163 87563556 1 FSN3C15H18 ABC3D15E18 -2.16 5.04 -8.35 -0.53 0
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228164 87563562 1 BrSN3O3H12C15 ABC3D3E12F15 -56.07 3.82 -9.57 -1.5 0
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228165 87563563 1 BrClOSN3H13C14 ABCDE3F13G14 -6.61 9.21 -8.29 -0.97 0
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228166 87563567 2 FNO4C22H26 ABC4D22E26 -327.58 5.62 -9.01 -0.72 0
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228167 87563571 1 OCl2N2C15H16 AB2C2D15E16 -6.27 4.35 -9.16 -0.89 0
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228168 87563579 1 ClO2S2N10H33C34 AB2C2D10E33F34 75.78 7.98 -8.57 -1.59 0
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228169 87563580 1 OCl2N2C15H16 AB2C2D15E16 -8.02 6.17 -9.24 -0.69 0
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228170 87563590 1 NO5C27H41 AB5C27D41 -120.49 3.57 -8.5 -0.3 0
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228171 87563591 1 NF3O3H8C9 AB3C3D8E9 -219.73 3.03 -9.05 -0.64 0
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228172 87563592 1 BrClSO2N3C19H21 ABCD2E3F19G21 -66.94 6.85 -8.73 -1.22 0
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228173 87563595 1 BrClOSN3C18H21 ABCDE3F18G21 -25.48 6.59 -8.23 -0.84 0
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228174 87563596 1 BrOSN3C18H20 ABCD3E18F20 6.96 10.14 -8.24 -0.68 0
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228175 87563597 1 PO10C40H77 AB10C40D77 -633.32 3.49 -9.59 -0.15 0
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228176 87563599 1 SO3N5C23H25 AB3C5D23E25 -25.33 4.34 -9.0 -0.94 0
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228177 87563602 1 SN3O3H11C14 AB3C3D11E14 -49.21 6.28 -9.06 -1.21 0
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228178 87563603 1 NS2O3H9C11 AB2C3D9E11 -51.17 7.29 -10.1 -1.57 0
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228179 87563605 1 NOC13H15 ABC13D15 -1.63 1.49 -8.06 -0.64 0
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228180 87563606 1 O4N5F6H23C30 A4B5C6D23E30 -274.1 8.72 -9.76 -1.63 0
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228181 87563607 1 ClSO2N3C16H16 ABC2D3E16F16 -68.28 6.53 -9.22 -1.18 0
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228182 87563608 1 NO3H15C18 AB3C15D18 -47.22 1.37 -8.84 -0.95 0
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228183 87563609 1 ClSN3O3C16H16 ABC3D3E16F16 -105.62 2.4 -9.22 -1.16 0
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228184 87563614 1 NSO4H7C10 ABC4D7E10 -68.1 4.54 -10.41 -1.42 0
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228185 87563615 1 N2O2F4C13H14 A2B2C4D13E14 -263.48 3.32 -9.6 -0.7 0
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228186 87563626 1 ClF2N3H16C21 AB2C3D16E21 -3.28 3.72 -7.76 -0.77 0
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228187 87563629 1 N2O2H14C17 A2B2C14D17 4.54 3.63 -8.45 -0.88 0
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228188 87563631 1 O2N3C7H7 A2B3C7D7 47.83 4.24 -10.44 -1.89 0