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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396009 135027194 1 ClO4C26H27 AB4C26D27 -140.25 3.56 -9.64 -0.39 0
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396010 135027195 1 O5C27H30 A5B27C30 -171.13 5.5 -8.97 0.03 0
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396011 135027196 1 BrNO2C14H22 ABC2D14E22 -97.96 4.37 -9.11 -0.46 0
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396012 135027197 1 O4H28C31 A4B28C31 21.09 3.8 -8.2 -0.61 0
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396013 135027200 1 SO9H34C38 AB9C34D38 -217.02 6.96 -8.38 -0.6 0
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396014 135027201 1 SO9H34C38 AB9C34D38 -225.17 5.26 -8.34 -0.84 0
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396015 135027202 1 O7H28C32 A7B28C32 -163.35 2.19 -8.37 -0.55 0
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396016 135027203 1 N2O4C21H24 A2B4C21D24 -68.94 2.7 -9.57 -0.5 0
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396017 135027204 1 N2O4C21H24 A2B4C21D24 -68.1 5.17 -9.63 -0.44 0
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396018 135027206 1 NO3C16H19 AB3C16D19 -110.38 1.66 -8.79 -0.12 0
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396019 135027207 2 O2C5H6 A2B5C6 -147.92 6.59 -10.32 -0.33 0
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396020 135027208 1 O3C13H18 A3B13C18 -114.48 2.36 -9.77 0.02 0
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396021 135027210 1 ClN3O5C25H30 AB3C5D25E30 -196.91 3.87 -8.82 -0.6 0
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396022 135027212 1 N3O5C25H31 A3B5C25D31 -185.52 3.17 -8.56 -0.45 0
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396023 135027213 1 NOH15C20 ABC15D20 85.8 3.53 -8.57 -0.94 0
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396024 135027214 1 NOH15C20 ABC15D20 86.08 4.23 -8.57 -0.9 0
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396025 135027215 1 NO2H17C18 AB2C17D18 -1.88 2.35 -8.84 -0.3 0
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396027 135027219 1 NO2C8H8 AB2C8D8 4.95 4.51 0.0 0.0 0
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396028 135027220 1 NO2C10H19 AB2C10D19 -115.07 2.05 -9.25 0.7 0
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396029 135027221 1 PO2C18H29 AB2C18D29 -147.82 3.84 -9.87 -0.11 0
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396030 135027223 4 N2C3H5 A2B3C5 69.87 3.57 -8.36 0.57 0
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396031 135027226 1 O3C8H10 A3B8C10 -87.1 3.15 -10.23 -0.4 1
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396032 135027227 1 ClO4C25H30 AB4C25D30 -159.31 3.75 0.0 0.0 0
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396033 135027233 1 FNO4H12C17 ABC4D12E17 -149.53 7.04 -9.84 -1.9 0
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396034 135027234 1 FSO4H19C22 ABC4D19E22 -127.34 6.1 -8.28 -0.39 0
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396035 135027235 1 OSH18C20 ABC18D20 33.78 4.23 -8.26 -0.12 0
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396036 135027241 1 N2H16C17 A2B16C17 97.81 3.59 -9.28 -0.76 0
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396037 135027244 1 O5C17H22 A5B17C22 -190.16 4.12 -8.78 -0.18 0
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396038 135027246 1 O5C17H22 A5B17C22 -188.69 3.74 -8.82 -0.05 0
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396039 135027255 1 Si2O5C21H44 A2B5C21D44 -360.11 3.58 -8.87 0.58 0
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396040 135027257 1 OC17H18 AB17C18 14.83 1.56 -8.61 0.28 0
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396041 135027258 1 NOF3H10C13 ABC3D10E13 -138.63 0.97 -9.53 -0.81 0
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396042 135027259 1 NO24C62H115 AB24C62D115 -1261.98 11.69 -9.34 -0.9 0
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396043 135027262 2 NOC9H9 ABC9D9 29.51 4.76 -8.34 -1.44 0
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396045 135027268 1 O2N5C11H11 A2B5C11D11 23.59 10.84 -9.26 -0.21 0
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396046 135027273 1 NO4H17C19 AB4C17D19 -27.05 6.56 -9.72 -0.97 0
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396047 135027282 1 SiO4C20H36 AB4C20D36 -253.67 3.13 -8.78 0.37 0
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396048 135027289 1 NO3C9H15 AB3C9D15 -127.44 3.13 -10.16 0.29 0
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396049 135027290 1 NO4C13H13 AB4C13D13 -150.92 1.66 -8.98 -0.56 0
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396050 135027293 1 NS2O4F6C20H29 AB2C4D6E20F29 -477.17 27.21 -9.42 -1.12 0
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396051 135027294 1 NS2O4F6C20H29 AB2C4D6E20F29 -473.76 5.75 -8.27 -1.23 0
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396052 135027297 1 ClSN3O5C25H30 ABC3D5E25F30 -195.39 3.25 -8.83 -0.8 0
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396053 135027301 1 O2H18C23 A2B18C23 5.39 2.69 -9.12 -0.68 0
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396054 135027311 1 BrSO2H13C17 ABC2D13E17 -26.31 2.92 -8.84 -1.26 0
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396055 135027313 1 SO4H12C16 AB4C12D16 -104.74 4.35 -8.75 -1.54 0
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396057 135027322 1 SN3O4C14H21 AB3C4D14E21 -127.91 4.37 -8.86 -0.63 0
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396058 135027325 1 SN2O2C18H30 AB2C2D18E30 -94.09 6.89 -8.53 -0.42 -1
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396059 135027327 1 SCl2N2H13C20 AB2C2D13E20 123.24 3.34 0.0 0.0 0
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396060 135027331 1 NCl2C13H13 AB2C13D13 6.05 2.3 -9.53 -1.08 0
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396061 135027332 1 O3N5C14H15 A3B5C14D15 -16.57 7.54 -9.09 -1.12 0
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396062 135027333 1 N2O3C17H22 A2B3C17D22 -120.79 4.98 -8.83 -0.14 0
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396063 135027340 1 SiO5C18H36 AB5C18D36 -329.9 1.71 -8.89 0.73 0
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396064 135027342 1 NO5C29H31 AB5C29D31 -102.9 2.73 -9.42 0.06 0
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396065 135027343 2 O2N3C28H28 A2B3C28D28 58.38 3.71 -8.68 -0.83 0
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396066 135027344 1 N3O6C25H31 A3B6C25D31 -219.56 5.56 -8.33 -0.46 0
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396067 135027345 1 N3O5C24H29 A3B5C24D29 -178.37 4.69 -8.86 -0.41 0
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396068 135027346 1 N3O6C22H31 A3B6C22D31 -233.18 1.75 -8.99 -0.65 0
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396069 135027347 1 ClN3O6C21H28 AB3C6D21E28 -238.65 3.78 -8.84 -0.65 0
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396070 135027349 1 N3O6C25H31 A3B6C25D31 -216.62 6.44 -8.97 -0.42 0
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396071 135027350 1 FN3O6C21H28 AB3C6D21E28 -268.86 3.09 -9.12 -0.77 0
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396072 135027351 1 N3O6C20H29 A3B6C20D29 -250.81 3.92 -8.98 -0.37 0
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396073 135027352 1 FON4H11C15 ABC4D11E15 45.62 4.92 -9.21 -0.78 0
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396074 135027353 1 ON4H14C16 AB4C14D16 85.08 5.14 -8.85 -0.61 0
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396075 135027354 1 ClON4H11C15 ABC4D11E15 83.63 4.99 -9.22 -0.8 0
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396076 135027355 1 FN3O3C15H16 AB3C3D15E16 -131.06 4.52 -9.28 -0.94 0
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396077 135027356 1 N3O4C16H19 A3B4C16D19 -123.42 6.01 -8.65 -0.66 0
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396078 135027359 1 N3O3C23H25 A3B3C23D25 -81.12 5.03 -9.0 -0.49 0
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396079 135027360 1 N3O5C15H19 A3B5C15D19 -133.17 5.88 -9.12 -0.73 0
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396080 135027361 1 N3O5C16H21 A3B5C16D21 -142.53 5.99 -8.88 -0.62 0
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396081 135027362 1 ClN3O5C15H18 AB3C5D15E18 -142.15 5.44 -9.11 -0.93 0
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396082 135027363 1 ClN3O5C15H18 AB3C5D15E18 -141.6 5.18 -9.08 -0.92 0
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396083 135027364 1 BrN3O5C15H18 AB3C5D15E18 -130.53 5.35 -9.18 -0.94 0
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396084 135027365 1 N3O5C16H21 A3B5C16D21 -136.39 5.84 -9.06 -0.67 0
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396085 135027366 1 N3O5C21H23 A3B5C21D23 -107.63 5.77 -9.1 -0.67 0
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396086 135027368 1 NOF3H10C13 ABC3D10E13 -141.25 2.64 -9.56 -0.74 0