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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37253 8018772 1 N2O4C13H14 A2B4C13D14 -115.88 2.09 -9.48 -0.9 0
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37254 8018781 1 SN2O6H18C20 AB2C6D18E20 -145.28 0.65 -9.54 -1.54 0
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37255 8018782 1 SN2O4C20H20 AB2C4D20E20 -111.31 3.32 -8.71 -0.88 0
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37256 8018810 1 OSF2N2H12C14 ABC2D2E12F14 -64.72 1.22 -9.13 -1.19 0
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37257 8018821 2 NO2C10H12 AB2C10D12 -140.34 2.04 -9.48 -1.13 0
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37258 8018833 1 NO5C19H27 AB5C19D27 -223.1 4.59 -9.27 -0.5 0
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37259 8018842 1 N2O5H20C24 A2B5C20D24 -91.21 3.38 -8.43 -1.48 0
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37260 8018898 1 SN2O4H18C19 AB2C4D18E19 -104.05 5.56 -8.69 -0.88 0
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37261 8018934 1 NCl2O4C13H15 AB2C4D13E15 -171.68 5.59 -9.54 -0.42 0
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37262 8018967 1 ClN2O3H15C18 AB2C3D15E18 -61.28 2.34 -9.7 -1.74 0
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37263 8018969 1 FN3O3C20H24 AB3C3D20E24 -114.85 2.19 -9.28 -0.49 0
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37264 8018971 1 SN4O5H18C19 AB4C5D18E19 -68.36 5.88 -8.93 -1.39 0
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37265 8019014 1 N2O5C16H22 A2B5C16D22 -204.39 5.04 -9.09 -0.55 0
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37266 8019020 1 NO4H17C19 AB4C17D19 -51.12 5.35 -8.42 -1.12 0
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37267 8019023 1 ClON2F3C20H20 ABC2D3E20F20 -177.77 6.55 -9.28 -0.97 0
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37268 8019024 1 NO5C15H19 AB5C15D19 -188.29 4.63 -9.47 -0.07 0
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37269 8019028 1 O5H18C20 A5B18C20 -99.15 4.02 -8.41 -0.96 0
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37270 8019032 1 BrO4H17C18 AB4C17D18 -82.07 6.05 -8.3 -0.84 0
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37271 8019049 1 N2O5C13H16 A2B5C13D16 -193.72 6.72 -8.37 -0.25 0
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37272 8019050 2 NO2C8H12 AB2C8D12 -185.23 2.76 -9.23 -0.23 1
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37273 8019056 1 N2O2C21H29 A2B2C21D29 -40.85 5.05 0.0 0.0 0
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37274 8019057 1 ClNSO3H18C19 ABCD3E18F19 -87.06 2.09 -8.73 -0.6 0
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37275 8019061 1 N2F3O6H11C12 A2B3C6D11E12 -308.98 4.02 -10.28 -1.94 0
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37276 8019064 1 ClON2C23H23 ABC2D23E23 9.52 3.72 -8.88 -0.21 0
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37277 8019066 1 N2O6C15H18 A2B6C15D18 -153.39 10.12 -9.1 -1.14 0
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37278 8019073 1 N2O6C11H12 A2B6C11D12 -147.34 1.58 -9.66 -1.46 0
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37279 8019080 1 SN2O4C20H20 AB2C4D20E20 -107.28 4.5 -8.81 -0.55 0
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37280 8019081 1 NO4C20H21 AB4C20D21 -115.02 5.0 -8.71 -0.39 0
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37281 8019113 1 NO5C16H21 AB5C16D21 -210.73 3.14 -9.52 -0.4 0
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37282 8019114 1 N2O2C15H18 A2B2C15D18 -59.35 4.58 -8.49 -0.04 0
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37283 8019115 1 NO6C22H29 AB6C22D29 -222.61 6.48 -8.57 0.25 0
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37284 8019116 1 N2O5C14H16 A2B5C14D16 -111.54 8.19 -9.46 -1.25 0
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37285 8019139 1 NOC17H19 ABC17D19 2.51 2.92 -8.73 0.04 0
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37286 8019144 1 NO3C20H21 AB3C20D21 -80.78 1.57 -8.64 -0.25 1
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37287 8019153 1 BrON2C13H20 ABC2D13E20 -27.85 4.29 0.0 0.0 0
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37288 8019155 1 NO6C23H25 AB6C23D25 -182.2 4.9 -8.66 -0.58 2
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37289 8019156 1 ON3C17H31 AB3C17D31 -37.52 2.15 -8.75 0.09 0
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37290 8019158 1 NO6C23H25 AB6C23D25 -183.14 5.05 -8.61 -0.43 0
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37291 8019171 1 ON3C20H33 AB3C20D33 -45.67 3.11 -8.68 0.37 0
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37292 8019172 1 NSO6C20H21 ABC6D20E21 -156.12 2.48 -8.68 -0.97 0
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37293 8019180 1 ON3C20H33 AB3C20D33 -49.44 3.39 -8.55 0.31 0
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37294 8019221 4 O2C5H6 A2B5C6 -291.49 2.28 -8.44 -0.24 0
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37295 8019238 1 FO6C20H23 AB6C20D23 -247.78 1.32 -8.72 -0.11 0
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37296 8019244 1 ClN2O2H19C20 AB2C2D19E20 -30.79 3.0 -8.52 -0.42 0
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37297 8019245 2 O4C11H11 A4B11C11 -272.71 7.3 -8.88 -1.16 0
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37298 8019253 1 NO6C20H29 AB6C20D29 -252.45 4.99 -8.78 0.03 0
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37299 8019263 1 NO6C24H31 AB6C24D31 -229.31 3.02 -8.6 -0.06 0
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37300 8019302 2 NO3C11H15 AB3C11D15 -224.79 7.02 -8.91 -0.06 1
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37301 8019306 1 BrO2N3C20H21 AB2C3D20E21 23.74 3.97 0.0 0.0 1
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37302 8019313 1 SN3O5C19H30 AB3C5D19E30 -167.45 6.93 0.0 0.0 0
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37303 8019316 1 NO6C23H35 AB6C23D35 -268.1 4.61 -8.77 0.1 0
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37304 8019317 1 N2O4C13H20 A2B4C13D20 -187.81 3.74 -10.26 0.17 1
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37305 8019336 1 ClSN3O3C16H23 ABC3D3E16F23 -79.74 9.58 0.0 0.0 0
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37306 8019344 1 NSO5C18H23 ABC5D18E23 -216.38 4.48 -8.52 -0.73 0
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37307 8019347 1 NF2O5C15H15 AB2C5D15E15 -288.19 1.82 -10.16 -1.13 0
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37308 8019362 1 NO6C22H27 AB6C22D27 -220.44 6.3 -8.59 -0.03 0
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37309 8019366 1 NO7C19H27 AB7C19D27 -282.49 3.7 -8.83 -0.04 0
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37310 8019402 1 BrN2O4C16H19 AB2C4D16E19 -147.71 8.41 -8.73 -0.24 0
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37311 8019406 1 ClN2O4C21H21 AB2C4D21E21 -89.09 1.23 -9.07 -0.9 0
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37312 8019412 1 ClSO2N3C10H12 ABC2D3E10F12 -30.54 8.36 -8.63 -0.68 0
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37313 8019421 1 N3O3H15C16 A3B3C15D16 -49.91 5.44 -9.5 -1.14 0
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37314 8019442 1 SN3O3H17C20 AB3C3D17E20 -9.93 3.33 -8.98 -1.34 0
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37315 8019453 1 N2O4C19H24 A2B4C19D24 -157.15 6.91 -9.12 -0.58 0
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37316 8019455 1 N2O4C19H24 A2B4C19D24 -157.23 4.45 -9.13 -0.51 0
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37317 8019467 2 NO3C9H12 AB3C9D12 -233.22 4.62 -8.0 -0.42 0
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37318 8019511 1 SN2O5C17H24 AB2C5D17E24 -200.57 6.5 -9.51 -0.66 0
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37319 8019526 1 NO4C20H21 AB4C20D21 -111.11 3.72 -8.76 -0.29 0
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37320 8019527 1 NO3C15H19 AB3C15D19 -121.94 2.84 -8.52 0.01 0
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37321 8019539 1 ClNO3C14H16 ABC3D14E16 -112.44 7.3 -9.15 -0.32 0
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37322 8019639 1 ClON2H19C23 ABC2D19E23 35.21 3.43 -8.57 -0.64 0
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37323 8019643 1 ClON2H19C23 ABC2D19E23 34.58 5.34 -8.68 -0.59 0
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37324 8019648 1 NCl2O3C14H15 AB2C3D14E15 -127.76 3.76 -9.24 -0.5 0
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37325 8019652 1 NF2O3C13H13 AB2C3D13E13 -187.92 4.3 -9.26 -0.6 0
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37326 8019806 1 Cl2N2O3C12H12 A2B2C3D12E12 -99.22 2.33 -9.48 -1.2 0
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37327 8019813 1 O6H22C23 A6B22C23 -157.47 3.25 -8.82 -0.28 0
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37328 8019823 1 NO4C21H23 AB4C21D23 -131.49 4.87 -8.67 -0.18 1
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37329 8019825 1 ClN3O4C17H19 AB3C4D17E19 -35.77 8.88 0.0 0.0 0
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37330 8019826 1 ClN3O4C17H18 AB3C4D17E18 -52.0 10.1 -9.15 -1.19 0
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37331 8019832 1 O5C17H18 A5B17C18 -150.26 1.34 -8.73 -0.08 0
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37332 8019836 1 NO3C22H25 AB3C22D25 -81.36 4.43 -9.07 0.13 0
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37333 8019843 1 ClNO4C21H22 ABC4D21E22 -135.72 6.28 -8.53 -0.4 1
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37334 8019844 1 N3O3C25H28 A3B3C25D28 -40.29 5.26 0.0 0.0 0
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37335 8019850 1 NO7C21H27 AB7C21D27 -230.66 6.15 -8.5 -0.02 0
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37336 8019851 1 OS2N6H18C19 AB2C6D18E19 92.06 6.04 -8.72 -1.15 0
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37337 8019867 1 NO4C22H23 AB4C22D23 -103.58 6.38 -8.28 -0.28 0
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37338 8019868 1 SN2O3C17H18 AB2C3D17E18 -62.0 4.15 -8.6 -0.6 0
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37339 8019878 1 Cl2N2O3C14H16 A2B2C3D14E16 -134.64 3.03 -9.27 -0.99 0
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37340 8019885 1 NO6C15H17 AB6C15D17 -166.84 4.66 -9.89 -1.34 0
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37341 8019886 1 NO5C19H19 AB5C19D19 -122.01 6.5 -8.73 -0.86 0
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37342 8019917 1 BrN2O5C15H17 AB2C5D15E17 -149.6 2.87 -9.32 -0.38 0
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37343 8019933 1 SN2O5C20H28 AB2C5D20E28 -212.55 4.11 -9.52 -0.72 0
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37344 8019936 1 NO3C20H21 AB3C20D21 -95.49 3.75 -8.84 -0.13 0
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37345 8020002 1 SN2O3C16H18 AB2C3D16E18 -85.9 6.7 -8.95 -0.82 0
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37346 8020028 1 NO3C19H29 AB3C19D29 -178.43 3.29 -9.6 0.33 0
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37347 8020038 1 SN4O4C19H20 AB4C4D19E20 -114.01 10.28 -8.81 -0.59 0
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37348 8020063 2 NO2C5H8 AB2C5D8 -188.82 3.17 -10.35 0.13 0
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37349 8020066 1 Cl2N2O3C14H16 A2B2C3D14E16 -126.67 5.06 -9.11 -0.81 0
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37350 8020068 1 SN2O3C15H16 AB2C3D15E16 -61.35 6.41 -8.9 -0.8 0
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37351 8020074 1 SN2O3C15H16 AB2C3D15E16 -69.82 1.16 -8.72 -0.81 0
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37352 8020084 1 NO5C17H21 AB5C17D21 -194.06 3.28 -8.87 -0.24 0