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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180920 76704640 1 FO2C18H25 AB2C18D25 -137.69 2.54 -9.35 0.08 0
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180921 76704655 1 SF3N6O8C43H55 AB3C6D8E43F55 -422.25 4.65 -9.21 -0.84 0
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180922 76704809 1 IPCl2Si2 ABC2D2 -255.23 2.54 -7.98 -2.14 0
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180923 76705045 1 N3O3H21C23 A3B3C21D23 -39.58 3.38 -8.87 -0.45 0
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180924 76705415 1 O4C7H10 A4B7C10 -173.45 6.3 -10.75 0.41 0
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180925 76705526 1 NO4C11H13 AB4C11D13 -132.7 4.57 -8.74 -0.48 0
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180926 76706175 1 SN2O7C21H30 AB2C7D21E30 -297.23 7.02 -9.18 -0.15 -1
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180928 76706231 1 SN2O5C19H28 AB2C5D19E28 -219.1 8.54 -9.55 0.0 0
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180929 76706279 1 SN2O6C22H34 AB2C6D22E34 -277.63 9.71 -9.03 0.07 0
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180930 76706319 1 ClNO3H8C16 ABC3D8E16 5.89 2.62 -9.77 -1.97 0
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180931 76706320 1 ClNO3H8C16 ABC3D8E16 12.57 3.28 -10.07 -1.66 0
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180932 76706321 1 NO3H9C16 AB3C9D16 14.65 3.16 -9.85 -1.82 -1
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180933 76706554 1 IrN2O2F3C22H24 AB2C2D3E22F24 -55.68 29.92 -9.03 -5.25 -2
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180934 76706679 1 NYC11H11 ABC11D11 121.25 1.9 0.0 0.0 0
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180935 76707724 1 NO3C18H29 AB3C18D29 -139.49 4.79 -9.61 -0.23 0
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180936 76708175 1 ClCuN3S3H9C15 ABC3D3E9F15 139.2 4.25 -8.7 -0.74 0
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180938 76708316 1 IrN3C53H54 AB3C53D54 572.61 66.91 -8.46 -5.19 -2
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180939 76708399 1 IrN5H55C73 AB5C55D73 553.23 40.85 0.0 0.0 0
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180940 76708635 1 NO2C15H15 AB2C15D15 -12.16 3.39 -8.88 -0.65 0
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180941 76708636 1 NO2H19C24 AB2C19D24 35.46 3.5 -8.99 -0.76 0
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180942 76708637 1 NO2C20H21 AB2C20D21 -9.62 3.78 -8.87 -0.57 0
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180943 76708638 1 NO4C8H15 AB4C8D15 -199.5 4.4 -10.44 0.43 -1
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180944 76709526 1 NOYF3H7C14 ABCD3E7F14 -82.27 3.91 -5.72 -1.64 0
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180945 76709544 1 Cl2F2N2O5H30C37 A2B2C2D5E30F37 -195.82 3.96 -8.87 -1.5 0
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180946 76709545 1 SCl2F3N4O4H23C33 AB2C3D4E4F23G33 -187.91 4.21 -8.92 -1.36 0
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180947 76709546 1 OCl2F3N4H25C34 AB2C3D4E25F34 -64.43 7.95 -8.84 -0.89 0
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180948 76709547 1 SCl2N3O4F6H23C34 AB2C3D4E6F23G34 -347.75 6.81 -8.89 -1.76 0
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180949 76709548 1 Cl2S2F3O3N4H23C32 A2B2C3D3E4F23G32 -127.29 3.69 -8.83 -1.2 0
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180950 76709630 2 OC8H8 AB8C8 -37.98 3.93 -8.8 -0.45 0
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180951 76709631 1 SO2C18H20 AB2C18D20 -38.62 3.05 -8.55 -0.21 0
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180952 76710313 1 N11O14C111H135 A11B14C111D135 -482.31 5.94 -8.88 -0.42 0
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180953 76710432 1 ClOF2N5C18H18 ABC2D5E18F18 -39.69 3.17 -9.17 -1.38 0
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180954 76710906 1 ClFON5C20H21 ABCD5E20F21 -2.35 2.82 -8.48 -0.91 0
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180955 76711190 1 NO12C40H71 AB12C40D71 -626.75 6.84 -9.96 -0.08 0
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180956 76711265 1 N3O5F6C27H29 A3B5C6D27E29 -502.84 8.12 -9.32 -1.02 0
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180957 76711979 1 ON2C52H70 AB2C52D70 -0.17 6.96 -8.5 -0.67 0
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180958 76712172 1 FN2O3H19C23 AB2C3D19E23 -78.85 8.71 -8.88 -1.41 0
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180959 76712438 1 O2N3H25C26 A2B3C25D26 31.09 1.51 -7.98 -0.94 0
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180960 76712451 4 C3H5 A3B5 57.16 0.37 -9.14 2.78 0
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180961 76712452 2 C6H11 A6B11 24.97 0.01 -9.06 2.94 0
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180962 76712453 1 C11H20 A11B20 30.91 0.26 -9.1 2.86 0
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180963 76712454 1 ClNO2C19H20 ABC2D19E20 -44.36 3.21 -9.16 -0.67 0
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180964 76712455 1 ClNO3C22H26 ABC3D22E26 -108.9 3.31 -9.36 -0.72 0
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180965 76712456 1 NO3C15H23 AB3C15D23 -148.78 2.04 -9.38 0.1 0
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180966 76712459 1 ON3C19H21 AB3C19D21 21.96 5.71 -9.3 -0.14 0
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180967 76712719 1 SiO3C16H30 AB3C16D30 -213.9 3.98 -8.78 -0.13 0
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180968 76712720 1 OC13H18 AB13C18 -34.09 1.93 -9.21 0.14 0
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180969 76712721 1 NF3O4C19H24 AB3C4D19E24 -309.69 2.3 -9.3 -0.99 0
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180970 76712722 1 NO4C23H37 AB4C23D37 -211.14 2.49 -9.44 0.11 0
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180971 76712723 1 NO5C24H33 AB5C24D33 -215.15 1.47 -8.76 0.07 0