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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4205 10963 1 ClNC3H4 ABC3D4 10.71 1.69 -11.16 0.2 0
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4206 10964 1 O2C3H4 A2B3C4 -62.99 3.2 -10.32 -0.17 0
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4207 10966 1 NSC3H5 ABC3D5 26.25 4.64 -8.95 -0.12 0
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4208 10968 1 NSC3H5 ABC3D5 27.14 4.19 -9.46 -0.4 0
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4209 10969 1 ClNOC8H20 ABCD8E20 -129.73 4.57 -10.34 2.12 0
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4210 10970 2 ClOC2H2 ABC2D2 -104.69 3.73 -11.55 -0.68 0
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4211 10971 2 NOC2H2 ABC2D2 -23.14 1.16 -10.97 -0.92 0
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4212 10972 1 NO3C4H7 AB3C4D7 -140.26 6.31 -10.4 0.21 0
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4213 10973 1 NO2C5H11 AB2C5D11 -111.2 2.28 -10.64 0.86 0
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4214 10974 1 NO3C4H9 AB3C4D9 -54.8 3.62 -11.62 -0.91 0
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4215 10975 1 OC10H18 AB10C18 -51.98 1.94 -9.5 0.62 0
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4216 10976 1 OC7H16 AB7C16 -84.07 1.95 -10.35 2.87 0
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4217 10977 1 ClC5H11 AB5C11 -38.87 2.42 -10.61 0.89 0
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4219 10988 1 NC10H23 AB10C23 -44.85 1.41 -8.76 3.12 0
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4220 10989 1 OC10H22 AB10C22 -89.85 1.33 -9.53 2.34 0
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4221 10990 1 SC10H22 AB10C22 -49.87 1.81 -8.42 0.92 0
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4222 10991 1 NO3H5C8 AB3C5D8 0.23 3.33 -10.73 -1.78 0
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4223 10993 1 OC6H12 AB6C12 -53.75 2.28 -9.82 1.06 0
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4224 10998 1 CoC2H2O4 AB2C2D4 -167.04 2.44 0.0 0.0 0
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4225 10999 1 CuC2H2O4 AB2C2D4 -128.94 6.19 0.0 0.0 0
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4226 11004 1 NO2H5C8 AB2C5D8 76.29 4.26 -10.33 -1.13 0
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4227 11006 2 C8H17 A8B17 -81.63 0.06 -10.67 3.98 0
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4228 11007 1 IC16H33 AB16C33 -64.12 1.79 -9.56 -0.69 0
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4229 11008 2 C16H33 A16B33 -155.09 0.07 -10.46 4.01 0
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4230 11009 1 CCuN ABC 101.48 5.65 -9.54 0.96 0
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4231 11010 1 ZnC2H6 AB2C6 15.19 0.01 -9.53 0.4 0
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4232 11011 1 NC2Cl3 AB2C3 16.8 1.49 -11.72 -1.26 0
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4233 11012 1 O5C23H34 A5B23C34 -254.34 7.4 -10.36 -0.3 0
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4234 11015 1 O4C23H34 A4B23C34 -212.52 5.58 -10.19 -0.52 0
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4235 11016 1 OPN3C6H12 ABC3D6E12 -0.79 4.13 -9.47 0.81 0
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4236 11018 1 NO3C21H26 AB3C21D26 -56.54 4.04 0.0 0.0 1
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4237 11020 1 BrN2O3C10H13 AB2C3D10E13 -139.42 3.45 -10.39 -0.79 0
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4238 11023 1 Zn3H10C12O14 A3B10C12D14 -554.87 3.95 -10.82 -4.33 0
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4240 11027 1 OC10H16 AB10C16 -49.65 3.23 -9.91 0.73 0
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4241 11028 1 LiC2O2H3 AB2C2D3 -131.67 3.7 -10.39 1.79 0
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4242 11029 1 CMgO3 ABC3 -106.24 11.26 -10.48 -2.79 0
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4243 11030 1 NaSO2N4H9C10 ABC2D4E9F10 -61.37 13.63 -8.12 -0.52 0
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4244 11032 1 NSO4C15H23 ABC4D15E23 -166.35 6.34 -9.75 -1.34 0
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4245 11033 1 SN3O3C7H9 AB3C3D7E9 -108.68 8.32 -9.43 -0.59 0
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4246 11034 1 NaSN2O5H9C12 ABC2D5E9F12 -160.56 6.55 -8.98 -1.28 0
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4247 11035 1 SN2O5H10C12 AB2C5D10E12 -122.28 6.05 -9.61 -1.37 0
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4248 11036 1 NaSN3O3C14H14 ABC3D3E14F14 -33.6 32.31 -8.58 -1.61 0
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4249 11042 1 INNaSH7O7C10 ABCDE7F7G10 -316.72 10.06 -8.93 -1.02 0
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4250 11045 1 SH3N3C6O9 AB3C3D6E9 -83.5 2.64 -12.28 -3.26 0
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4251 11046 1 ClNC5H10 ABC5D10 7.49 0.79 -9.69 0.88 0
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4252 11048 1 Na2Br4O5H6C20 A2B4C5D6E20 -190.91 6.94 -8.35 -1.18 0
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4253 11049 1 Br4O5H8C20 A4B5C8D20 -83.97 10.44 -9.17 -2.21 0
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4254 11051 1 ON2C16H18 AB2C16D18 8.09 3.19 -8.23 0.0 0
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4255 11052 1 O3C11H14 A3B11C14 -135.07 6.88 -9.52 -0.62 0
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4256 11055 1 O4H10C15 A4B10C15 -96.09 4.72 -8.71 -1.11 0