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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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185270 77279323 1 NO2C16H21 AB2C16D21 -88.92 5.48 -8.31 0.43 0
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185273 77279715 2 ON2C10H12 AB2C10D12 -10.13 5.02 -9.0 -0.29 0
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185274 77279716 1 ClO2N5C27H28 AB2C5D27E28 0.44 2.96 -8.73 -1.12 0
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185275 77279717 1 ClO2S2N5H20C23 AB2C2D5E20F23 24.08 3.29 -9.14 -1.45 0
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185276 77279718 1 PN2O10C16H21 AB2C10D16E21 -462.7 8.03 -10.26 -0.65 0
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185277 77279719 1 OSN2C13H20 ABC2D13E20 -38.79 2.77 -8.94 -0.13 0
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185278 77279720 1 C4H5N7 A4B5C7 116.77 3.56 -9.78 -0.97 0
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185279 77279772 1 NO5C42H53 AB5C42D53 -150.6 4.02 -9.02 -1.1 0
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185280 77279773 1 N2O6C25H38 A2B6C25D38 -254.51 6.83 -9.58 -0.62 0
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185281 77279905 1 N7O7C33H51 A7B7C33D51 -325.84 5.16 -8.86 0.18 0
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185282 77280971 1 SCl2N3O5C13H13 AB2C3D5E13F13 -109.82 6.85 -9.6 -3.03 0
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185283 77280972 1 SCl2N3O5H13C17 AB2C3D5E13F17 -78.11 7.46 -9.22 -2.96 0
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185284 77281072 1 ClON3C22H24 ABC3D22E24 39.44 3.28 -8.68 -1.65 0
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185285 77281419 1 F3N3O4C24H26 A3B3C4D24E26 -252.82 2.26 -8.6 -1.12 0
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185286 77281580 1 SN4O6C24H28 AB4C6D24E28 -202.37 7.33 -9.42 -1.26 0
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185287 77281638 1 OS2N4H10C12 AB2C4D10E12 56.82 5.23 -8.84 -1.35 0
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185288 77281758 1 SO4N6C25H30 AB4C6D25E30 -30.01 9.33 -8.34 -1.65 0
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185289 77281772 1 SF2N3O3H25C27 AB2C3D3E25F27 -132.94 4.98 -9.18 -0.39 0
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185290 77281773 1 ClFSN3O3H25C27 ABCD3E3F25G27 -98.42 5.43 -9.11 -0.43 0
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185291 77281819 1 FO2N3C20H20 AB2C3D20E20 -49.96 7.53 -8.76 -0.5 0
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185292 77281891 1 OF2N6H20C21 AB2C6D20E21 -25.15 6.26 -8.42 -1.74 0
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185293 77281893 1 FON7C23H26 ABC7D23E26 18.17 4.65 -8.03 -1.23 0
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185294 77281894 1 ON6C21H22 AB6C21D22 63.42 7.59 -8.6 -1.14 0
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185295 77281895 1 O2N5C22H23 A2B5C22D23 8.17 7.96 -8.66 -1.16 1
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185296 77281993 1 N3F5O5C34H35 A3B5C5D34E35 -384.32 4.84 0.0 0.0 1