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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195195 78653328 1 F2N2O2H20C21 A2B2C2D20E21 -99.46 5.44 -9.14 -1.24 0
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195196 78653611 1 N2O7H14C16 A2B7C14D16 -124.7 6.4 -8.68 -2.19 0
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195197 78653689 1 N2O5C21H22 A2B5C21D22 -143.49 4.56 -8.92 -1.24 0
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195198 78653690 1 F2N2O3H16C19 A2B2C3D16E19 -146.33 5.13 -9.52 -0.98 0
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195199 78653691 1 BrN2O6H11C15 AB2C6D11E15 -88.86 5.15 -9.19 -2.2 0
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195200 78653728 1 SN3O4H17C18 AB3C4D17E18 -66.58 1.74 -9.15 -0.95 0
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195201 78653834 1 O2N3H13C16 A2B3C13D16 27.51 4.32 -8.65 -1.4 0
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195202 78654297 1 SO2N3H23C24 AB2C3D23E24 -9.57 5.72 -8.62 -1.07 0
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195203 78654298 1 ClFN2O6H12C16 ABC2D6E12F16 -150.49 6.03 -9.26 -2.32 0
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195204 78654593 1 N3O3C24H25 A3B3C24D25 -39.44 8.62 -8.58 -0.98 0
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195205 78655347 1 ClFOSN4C15H16 ABCDE4F15G16 -14.89 5.07 -9.01 -0.71 0
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195206 78655412 1 NO4H23C24 AB4C23D24 -119.65 6.41 -8.98 -1.01 0
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195207 78655413 1 NO4H23C24 AB4C23D24 -116.81 4.17 -9.11 -0.92 0
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195208 78655508 1 NO4C22H25 AB4C22D25 -153.43 5.76 -9.03 -0.73 0
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195209 78655509 1 NO5C22H23 AB5C22D23 -183.81 3.88 -9.12 -0.78 0
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195210 78655786 1 ClFSN2O4H14C18 ABCD2E4F14G18 -143.88 3.14 -9.07 -1.11 0
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195211 78656131 1 OSN5C20H23 ABC5D20E23 43.92 3.21 -8.91 -0.8 0
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195212 78656132 1 SO2N5C15H21 AB2C5D15E21 -2.96 6.04 -9.01 -0.67 0
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195213 78656185 1 SN2O6C20H32 AB2C6D20E32 -254.35 8.87 -9.67 -1.13 0
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195214 78656222 1 N3O6H17C19 A3B6C17D19 -134.61 6.0 -9.64 -2.07 0
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195215 78656223 1 N2O5C21H24 A2B5C21D24 -167.53 5.5 -9.54 -1.89 0
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195216 78656224 1 N2O5C21H26 A2B5C21D26 -183.69 2.72 -9.59 -1.85 0
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195217 78656225 1 N3O6C20H23 A3B6C20D23 -227.77 1.21 -10.11 -2.0 0
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195218 78656226 1 N3O6C19H21 A3B6C19D21 -219.99 3.81 -10.07 -2.03 0
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195219 78656227 2 NO3C11H11 AB3C11D11 -193.69 4.68 -9.69 -1.97 0
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195220 78656228 1 N2O5C22H22 A2B5C22D22 -161.46 4.08 -9.71 -1.98 0
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195221 78656229 1 N3O5H21C23 A3B5C21D23 -118.77 8.24 -9.58 -1.71 0
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195222 78657273 1 SN2O6C19H22 AB2C6D19E22 -188.17 7.53 -9.75 -1.83 0
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195223 78658091 1 N3O3H19C21 A3B3C19D21 -39.96 6.04 -8.88 -0.97 0
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195224 78658739 1 OS2F3N4C15H17 AB2C3D4E15F17 -139.33 3.55 -8.91 -1.46 0
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195225 78659834 1 ClSN2O7C15H15 ABC2D7E15F15 -194.14 4.96 -9.28 -1.86 0
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195226 78660632 1 FSO2N3C19H20 ABC2D3E19F20 -44.16 4.56 -8.65 -0.58 0
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195227 78660633 1 OSN5C19H21 ABC5D19E21 59.38 6.39 -8.02 -1.18 0
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195228 78660684 1 SN2O5C20H20 AB2C5D20E20 -103.31 5.23 -8.99 -1.01 0
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195229 78661204 1 FN2S2O4H11C12 AB2C2D4E11F12 -136.78 3.22 -9.66 -1.54 0
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195230 78661205 1 ClN2O4C22H25 AB2C4D22E25 -138.83 1.64 -8.25 -0.42 1
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195231 78661548 1 SN3O3C23H28 AB3C3D23E28 -57.97 14.51 0.0 0.0 0
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195232 78661685 1 F3N4O6C15H15 A3B4C6D15E15 -311.81 11.49 -9.59 -1.38 0
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195233 78661686 3 FNO2C5H6 ABC2D5E6 -322.69 5.76 -9.82 -1.6 0
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195234 78662154 1 F2O2N3H13C14 A2B2C3D13E14 -129.83 5.95 -10.23 -1.05 0
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195235 78662163 1 O2N4H22C23 A2B4C22D23 5.78 5.33 -9.49 -0.39 0
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195236 78662164 1 OSF3N6H13C16 ABC3D6E13F16 -70.09 2.36 -8.81 -0.94 0
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195237 78662165 1 O2N3C21H21 A2B3C21D21 -21.98 7.4 -9.55 -0.33 0
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195238 78662540 1 N2O2H18C19 A2B2C18D19 10.4 8.07 -8.82 -0.93 0
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195239 78662582 1 O2N3H19C23 A2B3C19D23 68.29 5.33 -9.3 -1.09 0
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195240 78662954 1 SN2O2C16H18 AB2C2D16E18 -39.67 6.57 -9.06 -0.77 0
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195241 78663078 1 ClNO3H16C19 ABC3D16E19 -28.94 6.95 -8.86 -1.22 0
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195242 78663319 1 ON4H20C22 AB4C20D22 82.81 1.9 -8.98 -1.21 0
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195243 78663320 1 SF2N2O2H10C11 AB2C2D2E10F11 -109.5 5.81 -9.47 -1.51 0
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195244 78664910 1 SN3O3H21C22 AB3C3D21E22 -45.19 4.41 -9.18 -1.48 1