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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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61201 26707042 1 NBr2O3C17H17 AB2C3D17E17 -72.84 4.39 -9.25 -0.54 0
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61202 26707044 1 BrN3O4H12C14 AB3C4D12E14 -49.1 7.29 -9.71 -1.87 0
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61203 26707045 1 BrN3O4H12C14 AB3C4D12E14 -49.48 7.14 -9.65 -1.91 0
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61204 26707062 1 FN2S2O4H19C21 AB2C2D4E19F21 -85.74 3.15 -8.91 -0.91 0
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61205 26707068 1 BrN2O4H19C21 AB2C4D19E21 -89.64 8.44 -8.74 -1.04 0
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61206 26707069 1 FN2O3C19H21 AB2C3D19E21 -142.55 5.06 -8.61 -0.64 0
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61207 26707081 1 FSN3O5C23H28 ABC3D5E23F28 -215.22 4.1 -8.96 -0.77 0
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61208 26707084 1 FN4O4C22H23 AB4C4D22E23 -118.02 3.47 -8.73 -1.02 0
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61209 26707109 1 BrClN3O3C20H23 ABC3D3E20F23 -66.84 4.85 -9.02 -0.59 0
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61210 26707126 1 ClSO2N4C17H23 ABC2D4E17F23 -68.7 5.23 -8.99 -0.48 0
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61211 26707130 1 ClON6C26H27 ABC6D26E27 78.49 8.29 -9.01 -0.96 1
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61212 26707139 1 ClO2N4C24H30 AB2C4D24E30 -32.58 2.84 0.0 0.0 0
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61213 26707140 1 FN2O2H19C21 AB2C2D19E21 -75.13 5.22 -8.39 -0.69 0
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61214 26707155 1 BrClNO4H15C18 ABCD4E15F18 -123.53 3.59 -8.75 -0.54 0
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61215 26707169 1 BrClN3O4H15C19 ABC3D4E15F19 -57.88 2.17 -8.68 -0.99 0
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61216 26707172 1 BrN2O5H17C18 AB2C5D17E18 -163.98 2.49 -8.51 -0.65 0
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61217 26707176 1 BrSN2O5H19C21 ABC2D5E19F21 -116.18 4.48 -8.47 -1.28 0
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61218 26707181 1 BrFN3O4H15C19 ABC3D4E15F19 -96.66 3.56 -8.72 -0.96 0
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61219 26707187 1 SF2N2O4H20C21 AB2C2D4E20F21 -175.24 2.32 -8.75 -0.84 0
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61220 26707207 1 BrNO3C19H20 ABC3D19E20 -82.31 4.76 -8.73 -0.38 0
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61221 26707222 1 ClO2N5H24C25 AB2C5D24E25 24.22 6.3 -9.41 -0.78 0
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61222 26707223 1 ClO2N4C24H25 AB2C4D24E25 1.67 3.32 -9.32 -0.51 0
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61223 26707224 1 BrClN2O4C20H22 ABC2D4E20F22 -129.44 6.95 -9.06 -0.52 0
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61224 26707225 1 ClSO3N4C20H21 ABC3D4E20F21 -87.64 7.96 -9.26 -1.51 0
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61225 26707226 1 ClN3O3C24H26 AB3C3D24E26 -100.55 5.38 -8.77 -0.52 0
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61226 26707227 1 ClN3O3C24H26 AB3C3D24E26 -97.96 7.74 -8.72 -0.48 0
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61227 26707228 1 ClSO2N3C22H22 ABC2D3E22F22 -30.06 3.95 -9.3 -1.1 0
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61228 26707229 1 FCl2N2O2H17C18 AB2C2D2E17F18 -111.15 2.91 -9.42 -1.0 0
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61229 26707231 1 ClN2O4C22H25 AB2C4D22E25 -124.83 5.18 -9.14 -0.68 0
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61230 26707233 1 Cl2N2O3C20H20 A2B2C3D20E20 -100.89 3.54 -9.32 -0.57 0
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61231 26707237 1 ClFO3N4H22C23 ABC3D4E22F23 -93.27 7.47 -9.48 -1.05 0
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61232 26707239 1 ClN3O4C21H24 AB3C4D21E24 -150.97 5.56 -9.46 -0.58 0
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61233 26707240 1 ClSN3O4C24H26 ABC3D4E24F26 -105.33 8.48 -8.7 -1.17 0
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61234 26707247 1 ClN2O3C20H21 AB2C3D20E21 -93.49 3.88 -9.06 -0.1 0
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61235 26707252 1 ClN2O3C22H23 AB2C3D22E23 -109.54 5.0 -8.74 -0.56 0
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61236 26707254 1 O2N5C24H25 A2B5C24D25 20.45 2.23 -8.83 -0.76 0
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61237 26707262 1 N3O3C25H27 A3B3C25D27 -96.17 6.74 -8.5 -0.8 0
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61238 26707269 1 N3O4C22H25 A3B4C22D25 -151.6 3.2 -8.91 -0.59 0
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61239 26707275 1 FSN3O4C24H28 ABC3D4E24F28 -183.78 6.31 -9.26 -0.92 0
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61240 26707276 1 FSN3O4C24H28 ABC3D4E24F28 -185.79 4.0 -9.1 -0.92 0
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61241 26707277 1 N3O4C25H31 A3B4C25D31 -170.87 5.21 -8.96 -0.7 1
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61242 26707296 1 S2F3N3O3C21H25 A2B3C3D3E21F25 -202.67 11.02 0.0 0.0 0
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61243 26707309 1 FSN3O4C24H28 ABC3D4E24F28 -182.95 7.65 -9.15 -0.58 0
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61244 26707382 1 FO3N5H24C25 AB3C5D24E25 -66.11 14.68 -8.89 -1.25 0
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61245 26707385 1 Cl2N3O3H19C21 A2B3C3D19E21 -88.11 2.84 -9.13 -1.02 0
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61246 26707394 1 ClO3N4H23C24 AB3C4D23E24 -73.01 8.72 -8.86 -0.77 0
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61247 26707407 1 ClO2N4H21C22 AB2C4D21E22 -20.86 2.98 -8.56 -1.01 0
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61248 26707409 1 ClN3O3H18C20 AB3C3D18E20 -65.37 6.07 -9.52 -0.96 0
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61249 26707413 1 ClO2N6H23C24 AB2C6D23E24 36.76 10.48 -9.3 -0.99 0
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61250 26707416 1 ClO2N6H23C26 AB2C6D23E26 52.98 8.22 -9.43 -1.17 0