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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405192 135072930 1 O4C13H20 A4B13C20 -173.95 2.67 -10.25 0.13 0
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405193 135072931 1 BNO4C12H12 ABC4D12E12 -173.03 5.82 -10.04 -1.4 0
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405194 135072932 1 NSO4C18H21 ABC4D18E21 -146.42 8.77 -8.67 -0.78 0
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405195 135072933 1 NO2F3C17H22 AB2C3D17E22 -207.99 5.76 -8.85 -0.8 0
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405196 135072934 1 NO2F3C19H24 AB2C3D19E24 -201.78 6.37 -8.71 -0.14 0
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405197 135072935 2 NOC8H11 ABC8D11 -56.35 3.54 -8.88 -0.39 0
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405198 135072937 1 NO4C18H19 AB4C18D19 -127.64 3.98 -9.23 -0.94 0
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405199 135072938 1 PO4C9H19 AB4C9D19 -252.98 3.53 -9.93 0.67 0
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405200 135072939 1 NC30H35 AB30C35 63.17 1.7 -8.95 0.3 0
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405201 135072940 1 PO4C15H31 AB4C15D31 -285.96 4.31 -10.15 0.53 0
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405202 135073026 1 NSO3C13H19 ABC3D13E19 -104.65 5.3 -9.67 -0.56 0
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405203 135073027 1 NSO3C14H21 ABC3D14E21 -103.95 5.54 -9.49 -0.25 0
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405204 135073034 1 SiO2C21H26 AB2C21D26 -66.34 0.84 -8.44 -0.72 0
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405205 135073035 1 NO5C21H27 AB5C21D27 -196.21 2.26 -8.27 0.17 0
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405206 135073037 1 NOC21H21 ABC21D21 51.85 2.06 -8.42 -0.17 0
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405207 135073038 1 NOC17H21 ABC17D21 2.99 1.27 -8.33 0.07 0
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405208 135073039 1 SN2O3H18C23 AB2C3D18E23 6.8 5.09 -9.66 -0.82 0
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405209 135073041 1 NPO5C20H30 ABC5D20E30 -270.89 2.04 -9.19 -0.05 0
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405210 135073042 1 NPO5C18H28 ABC5D18E28 -265.53 3.15 -9.65 -0.02 0
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405211 135073043 1 OC16H22 AB16C22 -4.83 2.33 -9.24 0.5 0
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405212 135073044 1 NOC26H27 ABC26D27 31.56 5.37 -8.29 -0.25 0
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405213 135073046 1 ClNOSC17H18 ABCDE17F18 -8.64 4.83 -8.65 -0.24 0
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405214 135073049 1 NBr2O2H17C18 AB2C2D17E18 -26.89 6.44 -9.24 -1.21 0
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405215 135073050 1 NO5C22H25 AB5C22D25 -172.72 5.68 -8.98 0.03 0
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405216 135073051 1 NO5C24H29 AB5C24D29 -191.64 3.44 -9.48 0.03 0
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405217 135073052 2 OH9C10 AB9C10 -43.43 1.66 -8.89 -0.86 0
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405218 135073053 1 O4C19H24 A4B19C24 -161.9 3.15 -8.6 0.25 0
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405219 135073054 1 NO2C15H17 AB2C15D17 -11.28 4.26 -9.5 -0.1 0
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405220 135073056 1 ClNOF2H20C24 ABCD2E20F24 -53.67 6.04 -8.77 -0.72 0
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405221 135073057 1 NO6C18H23 AB6C18D23 -249.33 3.09 -9.27 -0.66 0
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405222 135073059 1 O3C24H38 A3B24C38 -155.47 3.08 -9.06 0.43 0
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405223 135073061 1 O3C19H30 A3B19C30 -160.95 2.26 -9.07 0.5 0
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405224 135073062 1 BrClNO3C13H15 ABCD3E13F15 -114.75 4.25 -9.41 -1.08 0
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405225 135073063 1 NO4C20H21 AB4C20D21 -96.57 4.02 -9.31 -0.72 0
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405226 135073064 1 BrN3O3C13H20 AB3C3D13E20 -113.33 4.37 -10.3 -1.31 0
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405227 135073065 2 SN2O4C12H12 AB2C4D12E12 -17.47 10.91 -9.59 -1.96 0
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405228 135073066 1 O3C22H32 A3B22C32 -60.65 4.64 -9.91 0.93 0
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405229 135073067 2 OH13C14 AB13C14 59.03 2.74 -8.77 0.01 0
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405230 135073069 1 NSO8C18H21 ABC8D18E21 -208.62 7.59 -9.72 -0.61 0
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405231 135073070 1 NO6H19C20 AB6C19D20 -95.08 5.03 -9.05 -0.9 0
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405232 135073071 1 OSC16H24 ABC16D24 -21.88 5.43 -8.32 -0.05 0
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405233 135073072 2 C7H11 A7B11 28.42 0.33 -10.0 1.23 0
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405234 135073075 1 ClNOF3H11C15 ABCD3E11F15 -133.77 2.84 -8.9 -0.66 0
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405235 135073166 1 NO5C16H21 AB5C16D21 -168.62 7.06 -8.67 -0.45 0
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405236 135073172 1 O5C13H18 A5B13C18 -180.3 3.7 -10.04 0.15 0
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405237 135073173 1 OC18H24 AB18C24 5.75 1.97 -9.23 0.35 0
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405238 135073174 1 FNH22C23 ABC22D23 39.08 3.24 -8.39 0.04 1
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405239 135073176 1 N2O4C17H27 A2B4C17D27 -109.36 6.75 0.0 0.0 0
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405240 135073177 2 NOC6H9 ABC6D9 -22.97 0.88 -9.84 -0.74 1
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405241 135073180 1 N2O2C14H17 A2B2C14D17 -4.08 6.2 0.0 0.0 0
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405242 135073181 1 N2O3C15H18 A2B3C15D18 -56.69 2.67 -8.42 -0.72 1
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405243 135073182 1 N2O3C15H19 A2B3C15D19 -45.27 5.89 0.0 0.0 0
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405244 135073183 1 NSO3C31H47 ABC3D31E47 -86.71 3.19 -9.37 -0.35 0
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405245 135073184 1 NO2C13H21 AB2C13D21 -76.13 4.91 -9.66 0.62 0
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405246 135073185 1 N2O3C14H20 A2B3C14D20 -121.52 1.84 -10.0 -0.86 0
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405247 135073186 2 NC11H15 AB11C15 45.55 3.03 -7.98 0.24 0
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405248 135073187 1 O3C20H28 A3B20C28 -107.69 3.64 -8.88 0.17 0
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405249 135073188 4 OC4H6 AB4C6 -154.24 3.21 -9.84 -0.15 0
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405250 135073192 1 NSO4C16H17 ABC4D16E17 -119.14 5.82 -9.69 -0.73 0
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405251 135073193 1 NPSO6C21H28 ABCD6E21F28 -275.3 4.82 -8.86 -0.46 0
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405252 135073194 1 NPSH20C21 ABCD20E21 31.15 5.14 -8.67 -0.27 0
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405253 135073195 1 NOPSH20C21 ABCDE20F21 -7.39 4.66 -8.61 -0.26 0
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405254 135073196 1 SeN2O4H28C29 AB2C4D28E29 -86.08 5.17 -9.17 -0.78 0
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405255 135073197 1 NSO4C18H29 ABC4D18E29 -194.87 4.65 -9.79 -0.59 0
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405256 135073199 1 ClNPSO5C20H25 ABCDE5F20G25 -240.94 4.67 -9.55 -0.88 0
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405257 135073200 1 NPSC18H22 ABCD18E22 -17.35 5.48 -8.65 -0.19 0
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405258 135073202 2 OC5H8 AB5C8 -61.21 1.02 -10.05 0.59 0
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405259 135073203 1 BrNOC12H12 ABCD12E12 25.67 1.06 -8.63 -0.29 0
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405260 135073208 1 C17H20 A17B20 61.56 1.35 -8.7 -0.15 0
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405261 135073233 1 BrFNOH15C16 ABCDE15F16 -42.64 3.01 -9.25 -0.28 0
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405262 135073262 1 NO4C30H37 AB4C30D37 -16.31 5.2 -9.5 -1.88 0
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405263 135073273 1 BrN2H17C22 AB2C17D22 152.66 4.02 -8.75 -0.42 0
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405264 135073286 1 N2C21H24 A2B21C24 113.23 1.3 -8.48 -0.06 0
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405265 135073303 1 NO2C14H23 AB2C14D23 -76.93 3.74 -9.58 0.48 0
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405266 135073315 1 N2O2F3H11C13 A2B2C3D11E13 -156.49 3.54 -10.23 -1.04 1