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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391190 135003465 2 SO2H12C15 AB2C12D15 14.88 1.02 -8.94 -1.18 0
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391191 135003468 1 NO3H13C17 AB3C13D17 -25.47 10.32 -9.46 -0.83 0
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391192 135003484 1 CrN2O2Cl3H11C14 AB2C2D3E11F14 33.59 6.12 -8.22 -1.22 0
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391193 135003500 2 FSCl2H4C8 ABC2D4E8 -26.14 0.65 -9.03 -1.15 0
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391194 135003501 1 NO3H17C20 AB3C17D20 -48.7 4.6 -9.33 -1.27 0
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391195 135003504 1 ClNO4H22C24 ABC4D22E24 -101.05 3.43 -8.36 -0.44 0
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391196 135003510 1 N2O5C23H30 A2B5C23D30 -131.01 7.04 -9.8 -1.11 0
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391197 135003511 1 N2O4C13H20 A2B4C13D20 -205.02 2.43 -10.54 -0.14 0
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391198 135003514 1 NO3C17H23 AB3C17D23 -131.43 4.42 -8.92 -0.04 0
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391199 135003515 1 PN2O4C19H23 AB2C4D19E23 -181.07 2.95 -8.8 -0.19 0
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391200 135003516 2 NPO3C18H23 ABC3D18E23 -305.63 2.34 -9.07 0.26 0
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391202 135003518 1 NPO5C21H28 ABC5D21E28 -245.97 4.93 -9.26 -0.04 0
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391203 135003523 1 N3O4C20H25 A3B4C20D25 -150.08 6.77 -8.25 -0.2 0
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391204 135003527 2 NO2C8H11 AB2C8D11 -96.0 2.62 -9.8 -1.35 0
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391205 135003530 1 NO2C26H27 AB2C26D27 -2.64 2.59 -9.16 -0.18 0
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391206 135003533 1 ON2C16H16 AB2C16D16 31.76 3.13 -8.67 -0.64 0
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391207 135003535 1 PCl2O3C10H19 AB2C3D10E19 -200.45 2.57 -9.89 -0.26 0
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391208 135003536 1 N2O2H18C19 A2B2C18D19 -18.11 5.01 -9.14 -0.72 0
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391209 135003537 1 SN3O3C18H29 AB3C3D18E29 -155.53 4.01 -9.03 -0.26 0
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391210 135003538 1 N2O5C13H24 A2B5C13D24 -257.52 1.88 -9.29 -0.14 0
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391211 135003541 1 SiN2O12C49H74 AB2C12D49E74 -616.48 6.66 -8.71 -0.06 0
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391212 135003558 1 NO4C14H21 AB4C14D21 -164.09 3.11 -8.45 -0.44 0
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391213 135003573 1 N3O6C17H19 A3B6C17D19 -152.14 10.75 -9.69 -1.18 0
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391214 135003581 1 ClON2C15H15 ABC2D15E15 22.36 3.45 -9.05 -0.57 0
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391215 135003585 2 NOC8H9 ABC8D9 -10.42 3.98 -8.73 -0.3 0
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391216 135003590 1 N2C19H28 A2B19C28 8.84 2.48 -7.78 0.48 0
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391217 135003593 1 NC19H23 AB19C23 28.59 1.03 -8.66 0.34 0
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391218 135003594 1 FNO6C24H24 ABC6D24E24 -220.3 4.31 -8.75 -0.1 0
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391219 135003613 1 FNSH12C18 ABCD12E18 36.93 1.16 -7.69 -0.52 0
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391220 135003615 1 ON2F4H18C25 AB2C4D18E25 -101.88 7.33 -9.54 -1.66 0
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391221 135003616 2 NOF2H8C12 ABC2D8E12 -121.66 6.76 -9.7 -1.75 0
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391222 135003629 1 NO2C13H15 AB2C13D15 -53.39 1.95 -8.89 0.02 0
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391223 135003631 1 NO3C20H25 AB3C20D25 -105.23 4.77 -8.39 -0.08 0
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391224 135003632 1 NO4C17H23 AB4C17D23 -137.65 4.46 -9.4 -0.74 0
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391225 135003636 2 NO2C7H7 AB2C7D7 -36.14 2.23 -8.78 -0.61 -1
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391226 135003659 1 BNO2F3C16H24 ABC2D3E16F24 -321.26 14.29 0.0 0.0 0
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391227 135003662 1 O2H17C24 A2B17C24 69.94 2.75 0.0 0.0 2
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391228 135003664 2 OH17C23 AB17C23 228.12 4.61 -7.66 -0.82 0
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391229 135003665 1 N4O4C17H26 A4B4C17D26 -135.19 9.69 -9.95 -1.01 0
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391230 135003687 2 NOH11C14 ABC11D14 82.6 6.28 -9.65 -1.17 0
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391231 135003689 1 ClN3O5H12C14 AB3C5D12E14 -89.26 1.22 -9.63 -1.12 0
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391232 135003696 1 OC15H20 AB15C20 -28.64 3.2 -9.65 -0.42 0
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391233 135003702 1 ClO2C14H17 AB2C14D17 -49.86 1.37 -8.74 0.3 0
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391234 135003703 1 NSO2C15H29 ABC2D15E29 -78.35 7.38 -7.87 0.76 0
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391235 135003726 1 ISSeH13C15 ABCD13E15 84.28 1.12 -8.36 -1.42 0
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391236 135003758 1 N2O3C27H28 A2B3C27D28 -47.77 2.97 -8.38 -0.78 0
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391237 135003759 1 N2O3H18C19 A2B3C18D19 -43.18 4.23 -9.49 -0.3 0
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391238 135003798 1 SCl2N2O6H24C29 AB2C2D6E24F29 -128.53 7.92 -8.55 -1.29 0
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391239 135003801 1 NO4H25C55 AB4C25D55 599.82 8.08 -8.02 -2.43 0
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391240 135003803 1 BrNSO2H24C26 ABCD2E24F26 -24.75 1.74 -8.76 -1.1 0