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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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448296 135289976 1 N2O4H20C21 A2B4C20D21 -50.41 3.93 -9.08 -1.21 0
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448297 135289980 1 N2O5H22C24 A2B5C22D24 -110.14 2.04 -8.61 -1.11 0
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448298 135289991 1 O5H12C13 A5B12C13 -98.95 3.96 -8.79 -0.8 0
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448299 135289993 1 NO4C16H23 AB4C16D23 -105.22 5.77 -9.08 -0.44 0
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448300 135289994 1 N3O5C26H27 A3B5C26D27 -51.02 4.74 -8.86 -1.07 0
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448301 135290002 1 O4N6H18C21 A4B6C18D21 44.24 2.75 -8.53 -0.96 0
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448302 135290004 1 O3N5H17C20 A3B5C17D20 76.3 4.77 -8.64 -1.0 0
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448303 135290011 1 NO6C20H21 AB6C20D21 -180.99 2.05 -8.57 -1.03 0
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448304 135290012 1 NO6C20H21 AB6C20D21 -180.94 1.81 -8.57 -1.01 0
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448305 135290020 1 FN2O2C21H21 AB2C2D21E21 -59.12 3.65 -8.94 -0.94 0
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448306 135290029 1 BrNO4H14C17 ABC4D14E17 -101.75 3.62 -9.18 -1.24 0
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448307 135290034 1 NO5C17H19 AB5C17D19 -168.14 5.02 -9.22 -0.96 0
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448308 135290038 1 ClNO5H8C10 ABC5D8E10 -198.02 5.34 -9.92 -1.2 0
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448309 135290046 1 ON2C22H22 AB2C22D22 62.97 9.69 -8.32 -0.12 0
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448310 135290047 1 NO5C16H23 AB5C16D23 -162.3 3.98 -8.8 -0.61 0
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448311 135290052 1 N2O5H14C18 A2B5C14D18 -137.32 3.26 -9.18 -1.33 0
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448312 135290064 1 N3O5H21C22 A3B5C21D22 -98.48 3.52 -8.78 -1.06 0
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448313 135290066 1 N3O6C28H29 A3B6C28D29 -93.5 4.56 -9.06 -0.98 0
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448314 135290067 1 O5C14H16 A5B14C16 -146.04 4.24 -8.82 -1.03 0
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448315 135290075 1 NO3H17C19 AB3C17D19 -2.09 7.05 -8.59 -0.5 0
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448316 135290077 1 NO6C21H21 AB6C21D21 -165.0 2.55 -8.66 -1.1 0
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448317 135290085 1 O2N4H22C23 A2B4C22D23 77.6 3.1 -8.85 -0.78 0
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448318 135290087 1 BrNOC11H12 ABCD11E12 33.65 2.34 -9.19 -0.68 0
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448319 135290095 1 N2O5H22C24 A2B5C22D24 -107.48 3.55 -8.73 -1.04 0
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448320 135290098 1 N2O5H16C19 A2B5C16D19 -139.12 3.59 -8.89 -1.29 0
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448321 135290103 1 FN2O2C22H23 AB2C2D22E23 -59.59 2.82 -8.93 -0.3 0
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448322 135290115 1 N3O5H21C22 A3B5C21D22 -94.59 1.08 -8.48 -1.06 0
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448323 135290118 1 BrOC7H15 ABC7D15 -83.65 3.75 -10.04 0.01 0
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448324 135290136 1 N2F3O5H23C26 A2B3C5D23E26 -290.1 14.39 -9.57 -1.56 0
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448325 135290139 1 N2O7C25H30 A2B7C25D30 -222.44 16.11 -9.22 -1.19 0
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448326 135290150 1 N2F3O5H23C26 A2B3C5D23E26 -283.26 14.65 -9.2 -1.41 0
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448327 135290157 1 N2O6C29H32 A2B6C29D32 -180.8 16.66 -9.33 -1.15 0
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448328 135290160 1 BrClNO5C23H27 ABCD5E23F27 -198.46 9.72 -9.05 -0.76 0
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448330 135290173 1 BrClNO2C17H25 ABCD2E17F25 -99.9 6.11 -7.81 -0.08 0
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448331 135290177 1 BrClNO2C14H19 ABCD2E14F19 -80.42 6.22 -8.53 -0.3 0
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448332 135290184 1 BrN2O2C20H25 AB2C2D20E25 -23.86 0.73 -8.44 -0.03 1
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448333 135290200 1 BrON2C9H12 ABC2D9E12 24.43 2.87 0.0 0.0 0
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448334 135290205 1 BrClNO2C19H21 ABCD2E19F21 -31.38 2.86 -9.09 -0.43 0
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448335 135290208 1 BrClIOH9C13 ABCDE9F13 24.77 2.92 -9.21 -1.35 0
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448336 135290222 1 O2F3N3H28C33 A2B3C3D28E33 -104.02 6.57 -9.14 -0.62 0
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448337 135290227 1 O2N3C18H25 A2B3C18D25 -58.94 2.55 -8.84 0.22 0
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448338 135290234 1 ON2C21H26 AB2C21D26 35.74 2.21 -8.94 -0.09 0
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448339 135290235 1 NO2C22H27 AB2C22D27 -27.86 2.74 -9.03 -0.12 0
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448340 135290237 1 N2O3H16C20 A2B3C16D20 38.15 2.45 -8.66 -1.0 0
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448341 135290244 1 NOC14H17 ABC14D17 -2.47 6.42 -8.85 -0.04 0
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448342 135290247 1 NC14H17 AB14C17 36.21 1.69 -9.02 0.32 0
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448343 135290261 1 ON2C13H16 AB2C13D16 11.65 5.42 -8.54 -0.23 0
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448344 135290267 1 N2O4C23H24 A2B4C23D24 -98.41 3.76 -8.68 -1.05 0
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448345 135290271 1 NO5C21H29 AB5C21D29 -200.39 2.86 -9.38 -0.6 0
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448346 135290276 1 N3O6C25H31 A3B6C25D31 -244.16 5.96 -9.52 -0.66 0