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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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126986 50986568 1 O2F3N3C10H14 A2B3C3D10E14 -218.09 3.51 -9.61 -0.52 0
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126987 50986650 1 ClSN2C20H33 ABC2D20E33 53.68 42.35 -5.83 -3.56 0
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126998 50986789 1 ClNO4C18H26 ABC4D18E26 -224.41 5.16 -9.01 -0.55 0
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126999 50986790 1 ClNO2C18H28 ABC2D18E28 -68.27 7.1 -8.95 -1.23 0
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127013 50987307 1 SN4O4H14C17 AB4C4D14E17 4.27 7.82 -8.78 -1.72 0
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127014 50987308 1 SN4O4H16C18 AB4C4D16E18 4.98 5.02 -8.54 -1.53 0
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127015 50987309 1 SN4O4H12C16 AB4C4D12E16 12.0 8.44 -8.76 -1.48 0
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127016 50987319 1 ON2H18C19 AB2C18D19 77.76 6.49 -8.44 -0.57 0
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127017 50987403 2 N2C5H12 A2B5C12 -8.88 2.23 -8.69 2.31 0
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127018 50987404 1 N8O11C40H50 A8B11C40D50 -445.99 3.58 -8.77 -0.38 0
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127019 50987434 1 O5C32H32 A5B32C32 -157.07 4.55 -8.73 -0.86 0
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127020 50987445 1 FO2C27H45 AB2C27D45 -179.61 1.06 -9.1 1.35 0
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127021 50987658 1 SO6C39H68 AB6C39D68 -365.94 3.27 -9.03 -0.15 0
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127022 50987726 2 ClO2N3H17C22 AB2C3D17E22 19.36 7.15 -7.87 -1.76 0
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127023 50987807 1 INOC26H28 ABCD26E28 48.02 3.13 -8.74 -0.73 0
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127024 50987808 1 NOC26H27 ABC26D27 60.59 1.21 -8.49 0.08 0
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127025 50987809 2 O2C5H8 A2B5C8 -188.31 1.71 -10.32 -0.03 0
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127026 50987875 2 O3C10H15 A3B10C15 -270.29 5.73 -9.72 -0.84 0
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127027 50988044 1 NCl4C8H9 AB4C8D9 -39.97 2.52 -9.47 -0.77 0
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127028 50988070 1 NCl2C10H13 AB2C10D13 -5.74 2.71 -9.28 -0.52 0
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127029 50988089 1 ClSN4C10H19 ABC4D10E19 -10.5 5.06 -8.36 0.14 0
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127030 50988090 1 SN4C10H18 AB4C10D18 23.07 3.74 -8.44 0.06 0
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127031 50988091 1 ClSN4C7H15 ABC4D7E15 -9.64 6.31 -8.73 -0.22 0
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127032 50988099 1 OCl2N3C9H15 AB2C3D9E15 -76.28 4.24 -9.12 -0.32 0
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127034 50988101 1 NCl2C7H9 AB2C7D9 -23.76 3.51 -10.34 -0.54 0
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127035 50988145 1 NSC11H11 ABC11D11 38.95 0.69 -8.48 -0.18 0
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127037 50988324 1 Cl2O2N3C10H13 A2B2C3D10E13 -83.94 3.73 -8.83 -0.77 0
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127038 50988325 1 O2N3C10H11 A2B3C10D11 -4.74 3.45 -8.3 -0.53 0
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127039 50988328 1 Cl2N4C13H22 A2B4C13D22 -18.99 4.56 -9.15 -0.81 0
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127040 50988329 2 ClNC2H7 ABC2D7 -89.5 5.81 -9.95 1.68 0
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127041 50988384 1 Cl2O2N3C14H23 A2B2C3D14E23 -131.45 7.62 -9.1 -0.44 0
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127042 50988385 1 OCl2N2C8H20 AB2C2D8E20 -118.19 3.21 -9.17 1.65 0
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127043 50988386 1 FOCl2N2C11H19 ABC2D2E11F19 -141.82 2.66 -8.5 -0.01 0
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127044 50988387 1 FON2C11H17 ABC2D11E17 -66.23 4.6 -8.36 0.09 0
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127045 50988421 1 Cl2C3N5H9 A2B3C5D9 1.83 3.52 -9.69 -0.93 0
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127046 50988422 1 SCl2N3C11H15 AB2C3D11E15 -12.74 8.46 -9.61 -1.32 0
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127047 50988423 1 SN3C11H13 AB3C11D13 59.5 2.76 -9.42 -0.98 0
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127048 50988424 1 SCl2N3C12H17 AB2C3D12E17 -18.24 4.78 -9.46 -1.25 0
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127049 50988448 1 ClON2C13H15 ABC2D13E15 -37.35 3.24 -8.97 -0.5 0
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127050 50988449 1 OCl2N2H4C6 AB2C2D4E6 -1.61 2.69 -10.4 -1.47 0
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127051 50988450 1 N2Cl3O3H15C19 A2B3C3D15E19 -70.96 6.87 -8.87 -1.44 0
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127052 50988499 1 ClN2O2C12H17 AB2C2D12E17 -100.52 6.77 -9.41 -0.41 0
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127053 50988565 1 ClNO3C11H16 ABC3D11E16 -159.75 3.26 -8.75 -0.72 0
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127054 50988708 1 NOSCl2C15H17 ABCD2E15F17 -34.99 1.9 -8.89 -0.58 0
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127055 50988716 1 ClSN4C6H11 ABC4D6E11 30.19 6.2 -8.82 -0.36 0
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127056 50988766 1 ClNO2C14H24 ABC2D14E24 -124.2 2.35 -8.76 -0.06 0
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127057 50989118 1 NSO3C10H13 ABC3D10E13 -114.25 3.83 -8.2 -0.25 0
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127058 50989119 1 SN2O2C8H8 AB2C2D8E8 -30.94 6.66 -9.01 -1.43 0
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127059 50989120 1 O2N3C14H15 A2B3C14D15 -27.2 4.94 -8.52 -0.47 0
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127060 50989121 1 O2N3C14H15 A2B3C14D15 -26.48 3.27 -8.58 -0.59 0
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127061 50989250 1 NSO2H13C14 ABC2D13E14 -31.91 4.84 -8.86 -1.17 0
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127062 50989251 1 OSN2C14H16 ABC2D14E16 3.03 1.79 -8.51 -0.55 0
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127063 50989355 2 NOF6H8C11 ABC6D8E11 -629.44 4.61 -9.67 -0.54 1
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127064 50989473 1 ON4C11H11 AB4C11D11 78.15 4.71 0.0 0.0 0
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127065 50989532 2 O2N3C10H15 A2B3C10D15 -149.58 3.85 -9.37 -0.04 0
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127066 50989533 1 NO2F3C6H8 AB2C3D6E8 -240.21 5.25 -10.76 0.49 0
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127067 50989593 1 OSN2C5H8 ABC2D5E8 -21.59 4.73 -8.95 -0.11 0
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127068 50989615 1 ClSN2C8H10 ABC2D8E10 18.74 7.27 0.0 0.0 0
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127069 50989620 1 ON3C7H17 AB3C7D17 -45.31 2.26 -8.79 2.07 0
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127070 50989621 2 NOC7H9 ABC7D9 -37.25 2.61 -8.88 0.22 0
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127071 50989625 1 NF3O3C13H14 AB3C3D13E14 -255.85 2.94 -9.61 0.12 0
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127072 50989692 1 N2O2F3H5C7 A2B2C3D5E7 -216.46 4.45 -10.2 -1.39 0
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127073 50989713 1 NOF3C11H16 ABC3D11E16 -233.31 5.62 -9.77 1.5 0
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127074 50989746 1 ON2C12H12 AB2C12D12 0.11 3.67 -9.02 -0.48 0
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127075 50989747 1 ON2C10H14 AB2C10D14 -42.92 4.1 -8.67 -0.18 0
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127076 50989810 1 ON3C7H13 AB3C7D13 -21.06 4.98 -8.85 -0.1 -2
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127077 50989963 1 AsC2Na2H5O6 AB2C2D5E6 -352.74 1.12 -9.22 0.56 0
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127078 50990100 1 O6C21H32 A6B21C32 -307.81 3.17 -10.14 -0.22 0
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127079 50990203 1 O4C15H20 A4B15C20 -129.5 6.46 -9.87 -0.46 0
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127080 50990303 1 NOC15H19 ABC15D19 -24.47 2.53 -8.96 0.32 1
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127081 50990349 1 N3O4C7H8 A3B4C7D8 -95.48 3.38 0.0 0.0 0
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127082 50990350 1 SN2O3C13H14 AB2C3D13E14 -39.37 4.08 -8.96 -0.91 0
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127083 50990351 1 O2C27H44 A2B27C44 -157.82 4.61 -9.56 -0.01 0
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127084 50990369 1 O6C25H36 A6B25C36 -273.77 4.58 -10.35 -0.93 0
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127085 50990398 1 N3O3C13H15 A3B3C13D15 -44.09 3.65 -8.89 -0.48 0