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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140213 52663023 1 FO3N4C21H27 AB3C4D21E27 -155.7 8.38 -8.64 -0.44 0
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140214 52663413 1 ClSN2O3C20H23 ABC2D3E20F23 -93.87 1.79 -9.67 -0.94 0
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140215 52663414 1 SO3N4C26H36 AB3C4D26E36 -94.01 10.39 -9.22 -0.46 0
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140216 52663532 1 SN2O4C15H22 AB2C4D15E22 -141.38 8.36 -8.91 -0.46 0
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140217 52663928 1 FSO2N3H22C23 ABC2D3E22F23 -61.97 6.01 -8.99 -0.61 0
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140218 52663929 1 FO2N5C25H26 AB2C5D25E26 -46.65 6.9 -9.17 -0.43 1
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140219 52664540 1 OCl2N2C17H23 AB2C2D17E23 -1.25 5.01 0.0 0.0 1
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140220 52664593 1 SN3O3C23H30 AB3C3D23E30 -67.53 9.83 0.0 0.0 0
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140221 52664594 1 SN3O3C23H29 AB3C3D23E29 -83.13 4.9 -8.94 -0.69 1
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140222 52665515 1 ClO3N4C24H30 AB3C4D24E30 -64.56 1.71 0.0 0.0 0
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140223 52665516 1 ClO3N4C24H29 AB3C4D24E29 -70.4 9.01 -8.79 -0.42 1
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140224 52665517 1 ClO3N4C24H30 AB3C4D24E30 -55.11 7.51 0.0 0.0 0
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140225 52665713 1 N3O3C20H29 A3B3C20D29 -116.16 2.75 -8.83 0.18 0
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140226 52666670 1 F3N4O4C21H25 A3B4C4D21E25 -285.29 6.43 -8.79 -0.64 0
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140227 52666671 1 F3N4O5C20H23 A3B4C5D20E23 -306.67 6.49 -8.91 -0.56 0
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140228 52666672 1 NCl2O2C13H15 AB2C2D13E15 -55.9 6.43 -8.91 -0.27 0
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140229 52666673 1 ClNO2C19H20 ABC2D19E20 -28.5 2.08 -8.88 -0.24 0
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140230 52666736 1 BrSN3O4C19H22 ABC3D4E19F22 -151.31 4.55 -9.1 -0.69 0
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140231 52666823 1 FSN3O3H8C14 ABC3D3E8F14 -10.88 4.84 -9.37 -1.7 0
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140232 52666926 1 Cl2O2N3C21H23 A2B2C3D21E23 -56.17 5.24 -8.94 -0.3 1
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140233 52666934 1 BrClFON3C17H19 ABCDE3F17G19 -27.96 4.35 0.0 0.0 0
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140234 52667530 1 FN2O2C23H23 AB2C2D23E23 -63.62 5.38 -8.82 -0.1 0
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140235 52667989 1 ClSN2O4H15C20 ABC2D4E15F20 -61.69 2.15 -9.01 -1.34 0
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140236 52668525 1 BrO2N3C20H20 AB2C3D20E20 -17.01 4.64 -8.87 -0.34 0
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140237 52668588 1 SCl2O3N4C19H22 AB2C3D4E19F22 -75.15 3.44 -8.42 -1.24 0
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140238 52668671 1 SO3N5C19H19 AB3C5D19E19 -28.28 4.88 -8.74 -0.41 0
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140239 52668675 1 O2N7H19C22 A2B7C19D22 82.66 6.75 -8.88 -1.15 0
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140240 52669062 1 ClFSN2O2C17H18 ABCD2E2F17G18 -92.98 6.4 -8.57 -0.92 0
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140241 52669208 1 FSN3O3H20C24 ABC3D3E20F24 -87.7 7.4 -8.98 -1.35 0
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140242 52669590 1 ClNO3H20C21 ABC3D20E21 -65.82 2.82 -8.99 -0.08 0
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140243 52669591 1 ClNO3H20C21 ABC3D20E21 -65.73 2.71 -8.99 -0.09 0
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140244 52669592 1 ClNO3H20C21 ABC3D20E21 -64.72 2.19 -9.01 -0.18 0
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140245 52669593 1 ClNO3H20C21 ABC3D20E21 -58.87 5.53 -8.89 -0.15 0
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140246 52669594 1 ClNO3H20C21 ABC3D20E21 -61.23 1.19 -9.05 -0.28 0
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140247 52669595 1 BrNO2H18C20 ABC2D18E20 -9.74 3.29 -9.4 -0.2 1
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140248 52669647 1 SN4O6C18H29 AB4C6D18E29 -147.06 8.66 0.0 0.0 0
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140249 52669832 1 O2N7C25H33 A2B7C25D33 14.76 5.29 -8.35 -1.46 0
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140250 52670082 1 O3N4C24H38 A3B4C24D38 -150.73 9.42 -9.0 0.15 0
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140251 52670083 1 ClN3O3C23H34 AB3C3D23E34 -143.97 4.31 -8.87 -0.12 0
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140252 52670365 1 BrFN2O2S2H16C17 ABC2D2E2F16G17 -81.13 3.52 -8.54 -1.25 0
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140253 52670366 1 BrFN2O2S2H16C17 ABC2D2E2F16G17 -81.77 4.68 -8.44 -1.43 0
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140254 52670367 1 FSN2O3C20H23 ABC2D3E20F23 -164.88 3.52 -8.57 -0.5 0
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140255 52670368 1 FSN2O3C20H23 ABC2D3E20F23 -165.61 0.65 -8.62 -0.49 0
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140256 52670369 1 ClN3O5C20H24 AB3C5D20E24 -154.27 4.78 -8.62 -0.7 0
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140257 52670370 1 ClN3O3C19H22 AB3C3D19E22 -92.64 8.03 -8.26 -0.53 0
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140258 52670371 1 ClO2N3C22H22 AB2C3D22E22 -34.94 4.09 -8.35 -0.76 0
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140259 52670884 1 S2N3O3C21H21 A2B3C3D21E21 -51.37 6.03 -8.39 -0.63 0
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140260 52670939 1 S2N3O3C23H25 A2B3C3D23E25 -59.67 8.42 -8.71 -0.73 0
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140261 52670991 1 N3O4C25H31 A3B4C25D31 -127.06 5.39 -9.45 -0.35 1
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140262 52671258 1 O2N4C22H25 A2B4C22D25 36.76 30.91 0.0 0.0 0