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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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65226 29204638 1 N2F3O3H15C18 A2B3C3D15E18 -232.16 1.9 -9.32 -0.89 0
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65227 29204639 1 ClN2O3H25C26 AB2C3D25E26 -44.23 3.72 -8.26 -0.44 0
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65228 29204640 1 ClO2F3N3H17C20 AB2C3D3E17F20 -185.11 8.18 -9.01 -0.75 0
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65229 29204642 1 N2F3O5C16H17 A2B3C5D16E17 -293.29 7.4 -9.27 -0.73 0
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65230 29204643 1 BrN2O4H23C24 AB2C4D23E24 -58.8 2.23 -8.18 -0.76 0
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65231 29204644 1 N2F3O5C16H17 A2B3C5D16E17 -294.29 7.49 -9.24 -0.74 0
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65232 29204645 1 BrN2O4H23C24 AB2C4D23E24 -59.44 4.79 -8.22 -0.8 0
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65233 29204646 1 N2F3O5C16H17 A2B3C5D16E17 -291.19 5.34 -9.4 -0.77 0
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65234 29204648 1 N2F3O5C16H17 A2B3C5D16E17 -294.09 5.94 -9.54 -0.9 0
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65235 29204650 1 O2F3N3H20C21 A2B3C3D20E21 -185.26 8.61 -8.99 -0.47 0
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65236 29204652 1 SF3N3O4H14C16 AB3C3D4E14F16 -295.15 5.53 -9.2 -0.87 -1
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65237 29204653 1 SF3N3O5H11C16 AB3C3D5E11F16 -219.67 9.0 0.0 0.0 0
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65238 29204654 1 SF3N3O5H12C16 AB3C3D5E12F16 -246.22 13.02 -9.0 -1.85 0
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65239 29204656 1 SF3N3O4H16C19 AB3C3D4E16F19 -242.73 4.67 -9.54 -1.32 0
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65240 29204657 1 SN2F3O3H17C18 AB2C3D3E17F18 -240.93 3.67 -9.02 -0.76 0
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65241 29204659 1 ClSN2F3O5H14C16 ABC2D3E5F14G16 -290.3 5.37 -9.33 -1.52 0
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65242 29204660 1 ClSN2F3O5H18C19 ABC2D3E5F18G19 -340.97 7.4 -9.36 -1.36 0
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65243 29204661 1 ClSN2F3O5H18C19 ABC2D3E5F18G19 -338.65 4.3 -9.61 -0.96 0
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65244 29204662 1 ClSN2F3O5H18C19 ABC2D3E5F18G19 -343.92 3.12 -9.33 -0.82 0
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65245 29204663 1 ClSN2F3O5H18C19 ABC2D3E5F18G19 -348.6 9.28 -9.12 -1.0 0
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65246 29204664 1 SN2F3O6C20H21 AB2C3D6E20F21 -377.35 7.71 -9.3 -0.98 0
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65247 29204665 1 SN2F3O6C20H21 AB2C3D6E20F21 -375.71 6.57 -9.18 -0.64 0
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65248 29204666 1 SN2F3O4C20H23 AB2C3D4E20F23 -298.83 5.73 -9.42 -0.79 0
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65249 29204667 1 N2S2F3O6C18H19 A2B2C3D6E18F19 -368.68 11.64 -9.0 -0.63 0
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65250 29204668 1 N2S2F3O6C18H19 A2B2C3D6E18F19 -370.18 13.56 -8.94 -0.97 0
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65251 29204669 1 Cl2N3O4C23H27 A2B3C4D23E27 -148.54 4.26 -8.86 -0.29 0
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65252 29204670 1 Cl3O3N4H21C22 A3B3C4D21E22 -50.63 4.97 -8.89 -0.62 0
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65253 29204671 1 Cl3O3N4H19C21 A3B3C4D19E21 -45.12 3.87 -9.07 -0.92 0
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65254 29204673 1 Cl2O3N4C23H24 A2B3C4D23E24 -58.49 4.49 -8.93 -0.42 0
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65255 29204674 1 Cl2O3N4C24H26 A2B3C4D24E26 -68.75 3.89 -8.95 -0.44 0
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65256 29204675 1 FCl3O3N4H18C21 AB3C3D4E18F21 -91.46 1.62 -9.12 -1.06 0
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65257 29204677 1 Cl2N4O4C19H20 A2B4C4D19E20 -123.58 1.36 -9.12 -0.62 0
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65258 29204678 1 Cl2O3N4C21H22 A2B3C4D21E22 -61.72 5.43 -8.95 -0.52 0
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65259 29204679 1 Cl2N4O5C19H20 A2B4C5D19E20 -84.91 7.62 -9.11 -1.0 0
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65260 29204680 1 Cl2N3O4C18H21 A2B3C4D18E21 -111.49 2.91 -8.99 -0.58 0
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65261 29204681 1 Cl2O3N4C23H24 A2B3C4D23E24 -55.73 4.92 -9.0 -0.48 0
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65262 29204682 1 SCl2N3O4C18H21 AB2C3D4E18F21 -150.87 2.86 -8.8 -0.51 0
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65263 29204683 2 ClN2O2C11H13 AB2C2D11E13 -142.26 3.49 -9.12 -0.57 0
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65264 29204684 1 SCl2N3O4C21H21 AB2C3D4E21F21 -125.69 3.16 -8.71 -0.58 -1
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65265 29207476 1 SN4O4H11C14 AB4C4D11E14 -21.09 9.51 0.0 0.0 0
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65266 29211822 1 N7H19C21 A7B19C21 198.11 6.14 -8.98 -1.42 0
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65267 29211835 1 SO2N5C23H27 AB2C5D23E27 22.65 3.9 -8.71 -0.12 0
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65268 29211851 1 SO3N4C20H26 AB3C4D20E26 -60.93 6.94 -9.47 -1.0 1
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65269 29211853 1 O2N3C20H30 A2B3C20D30 -7.83 6.71 0.0 0.0 0
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65270 29211858 1 O2N3C17H29 A2B3C17D29 -99.22 2.14 -9.07 0.53 0
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65271 29211860 1 O2N3C20H29 A2B3C20D29 -23.36 4.11 -8.5 0.0 0
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65272 29211862 1 O2N3C17H29 A2B3C17D29 -104.68 3.23 -9.21 0.38 0
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65273 29211876 1 FOSN6H25C26 ABCD6E25F26 51.78 10.9 -8.59 -0.41 0
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65274 29211880 1 SO2N5C23H27 AB2C5D23E27 16.71 6.99 -8.58 -0.15 1
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65275 29211883 1 ON3C24H30 AB3C24D30 51.09 16.63 0.0 0.0 0
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65276 29211885 1 SO2N5C22H29 AB2C5D22E29 -1.74 4.72 -8.39 -0.5 0
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65277 29211886 1 SO2N5C22H25 AB2C5D22E25 27.04 7.11 -8.57 -0.14 0
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65278 29211889 1 ON4C24H32 AB4C24D32 9.31 7.5 -8.8 -0.04 0
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65279 29211892 1 ON4C24H32 AB4C24D32 9.17 6.78 -8.8 0.0 0
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65280 29211895 1 SN3O3C20H27 AB3C3D20E27 -61.35 5.23 -9.31 -0.96 0
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65281 29211897 1 SN3O3C20H27 AB3C3D20E27 -67.26 5.44 -9.35 -0.78 0
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65282 29211899 1 SO3N6H26C27 AB3C6D26E27 24.06 8.38 -8.86 -0.66 0
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65283 29211900 1 SO3N5C26H35 AB3C5D26E35 -82.72 7.96 -8.85 -0.85 0
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65284 29211901 1 ClOSN4C19H25 ABCD4E19F25 24.03 3.61 -8.69 -0.2 0
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65285 29211902 1 SO3N5C26H35 AB3C5D26E35 -78.64 3.47 -9.07 -0.51 0
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65286 29211904 1 OSN6C29H32 ABC6D29E32 82.86 8.22 -8.43 -0.27 1
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65287 29211906 1 ON3C21H32 AB3C21D32 -13.3 3.78 0.0 0.0 0
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65288 29211907 1 OSN7C27H29 ABC7D27E29 110.64 8.83 -7.74 -0.29 0
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65289 29211909 1 SN3O3C21H31 AB3C3D21E31 -101.52 5.6 -9.16 -0.88 1
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65290 29211913 1 SO2N5C21H24 AB2C5D21E24 40.32 14.91 0.0 0.0 0
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65291 29211924 1 FN3O3H24C25 AB3C3D24E25 -93.08 6.59 -9.18 -1.75 0
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65292 29211931 1 OSN5C21H23 ABC5D21E23 103.92 7.46 -8.5 -0.17 0
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65293 29211932 1 N3O3C26H27 A3B3C26D27 -44.9 4.11 -9.42 -1.71 0
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65294 29211941 1 O2N4C19H30 A2B4C19D30 -73.52 4.08 -8.77 -1.11 0
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65295 29211942 1 SO2N3C21H29 AB2C3D21E29 -64.92 5.43 -8.54 -0.28 1
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65296 29211945 1 O3N4C23H25 A3B4C23D25 -8.97 5.18 0.0 0.0 0
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65297 29211946 1 O3N4C23H24 A3B4C23D24 -22.29 2.34 -8.77 -0.35 0
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65298 29211951 1 SN3O3C19H27 AB3C3D19E27 -91.79 7.29 -9.44 0.07 0
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65299 29211955 1 SN3O3C19H27 AB3C3D19E27 -91.18 3.27 -9.2 0.03 1
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65300 29211956 1 N2O4C22H25 A2B4C22D25 -55.02 2.59 0.0 0.0 0