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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412390 135085281 1 MnN2O2H46C60 AB2C2D46E60 250.2 1.46 0.0 0.0 3
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412391 135085282 1 MnN2O2C36H54 AB2C2D36E54 -53.28 3.42 0.0 0.0 0
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412392 135085283 1 AuNPS2Si3F6O13C143H207 ABCD2E3F6G13H143I207 -857.57 32.3 -8.55 -1.08 0
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412393 135085284 2 ClRuSC37H38 ABCD37E38 221.29 5.22 -7.34 -2.28 1
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412394 135085285 1 ClPRuSO3C17H22 ABCDE3F17G22 117.28 17.33 -7.79 -4.95 0
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412397 135085288 1 LaC24H27 AB24C27 130.17 4.0 -5.73 0.26 -2
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412399 135085290 1 SN3O5C30H35 AB3C5D30E35 -103.47 5.79 -8.57 -0.64 0
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412400 135085291 1 SN3O4C35H45 AB3C4D35E45 -96.23 1.98 -8.56 -0.66 0
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412401 135085292 1 BrNSO3C10H12 ABCD3E10F12 -95.85 4.81 -10.05 -0.84 0
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412403 135085294 1 PdN2O3C21H29 AB2C3D21E29 -13.63 13.91 0.0 0.0 0
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412404 135085295 1 PdN2O3C21H30 AB2C3D21E30 2.39 4.43 -6.85 0.08 4
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412406 135085297 2 CoC3O3 AB3C3 -239.13 30.38 -10.74 -6.56 0
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412407 135085298 1 LaN2Si4C9H27 AB2C4D9E27 -63.17 12.47 -6.2 -0.59 3
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412410 135085301 1 BO2C18H21 AB2C18D21 -117.75 4.02 -9.12 0.39 0
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412411 135085302 1 NSO4H13C15 ABC4D13E15 -77.39 4.93 -9.08 -0.91 0
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412412 135085303 1 TiN4C16H28 AB4C16D28 105.9 12.8 -8.47 -3.8 0
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412413 135085304 1 ClNLi2C11H16 ABC2D11E16 -104.04 4.82 -8.51 0.11 0
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412414 135085305 1 O3F4C7H8 A3B4C7D8 -315.17 4.59 -10.78 -0.35 1
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412415 135085306 1 BrNC8H9 ABC8D9 26.53 3.88 0.0 0.0 0
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412416 135085307 1 O4C13H16 A4B13C16 -148.29 3.68 -9.68 -0.47 0
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412417 135085308 1 SO2C12H14 AB2C12D14 -32.26 6.67 -10.07 -0.4 1
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412418 135085309 1 PO4C10H12 AB4C10D12 -154.25 0.81 0.0 0.0 0
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412419 135085310 1 SO2C12H14 AB2C12D14 -56.09 7.44 -9.97 -0.4 0
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412420 135085311 1 O2C15H20 A2B15C20 -43.43 3.11 -9.55 0.35 0
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412421 135085312 1 O2S2H8C11 A2B2C8D11 -9.96 1.0 -9.51 -0.93 0