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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175289 75879971 1 ClSN3O3C22H29 ABC3D3E22F29 -77.64 6.35 0.0 0.0 0
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175290 75879972 1 ClSN3O3C22H28 ABC3D3E22F28 -93.04 1.78 -8.69 -1.16 1
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175291 75879973 1 O2N4C27H35 A2B4C27D35 -23.42 5.52 0.0 0.0 0
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175292 75879974 1 O2N4C27H34 A2B4C27D34 -30.33 1.71 -8.66 -0.57 1
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175293 75880007 1 ON4C25H33 AB4C25D33 20.99 8.78 0.0 0.0 0
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175294 75880422 1 ClF2N2O4C21H21 AB2C2D4E21F21 -240.77 4.65 -8.52 -0.47 0
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175295 75880603 2 NOC12H14 ABC12D14 -44.67 6.9 -8.76 -0.2 0
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175296 75880604 1 SN2O4C24H28 AB2C4D24E28 -127.9 4.78 -8.85 -0.36 0
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175297 75880605 1 ClO2N4C23H25 AB2C4D23E25 -16.0 3.17 -9.25 -0.82 0
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175298 75880606 1 SO3N4C24H28 AB3C4D24E28 -41.73 4.29 -9.12 -0.93 0
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175299 75880607 1 O2N4H20C21 A2B4C20D21 10.68 4.16 -8.76 -0.97 0
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175300 75880608 1 SO2N6H22C24 AB2C6D22E24 68.0 8.88 -9.14 -0.77 0
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175301 75880772 1 ON6C24H32 AB6C24D32 25.67 7.55 -9.22 -0.82 1
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175302 75880773 1 SN3O3C24H32 AB3C3D24E32 -53.3 4.56 0.0 0.0 0
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175303 75880912 1 N3O3C28H39 A3B3C28D39 -138.5 3.58 -8.37 -0.28 0
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175304 75880961 1 OSN2C21H26 ABC2D21E26 4.86 2.34 -8.37 -0.83 1
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175305 75880962 1 ClO2N3C25H33 AB2C3D25E33 -71.01 3.01 0.0 0.0 0
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175306 75880963 1 ClO2N3C25H32 AB2C3D25E32 -81.88 5.15 -8.68 -0.31 0
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175307 75881091 1 N4O6C23H30 A4B6C23D30 -189.58 3.38 -8.43 -0.47 1
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175308 75881092 1 BrSO2N3C21H27 ABC2D3E21F27 -51.02 3.94 0.0 0.0 0
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175309 75881093 1 BrSO2N3C21H26 ABC2D3E21F26 -55.07 2.31 -8.62 -0.7 1
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175310 75881094 1 IO2N3C18H21 AB2C3D18E21 -16.02 3.63 0.0 0.0 0
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175311 75881397 2 NOC11H16 ABC11D16 -103.81 3.68 -8.54 -0.48 0
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175312 75881504 1 ClFN3O4C22H25 ABC3D4E22F25 -175.97 3.13 -8.79 -0.61 0
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175313 75881711 1 BrSN2O2C17H21 ABC2D2E17F21 -8.75 1.33 -8.68 -1.01 1