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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41053 8145181 1 OCl2N3H15C16 AB2C3D15E16 44.27 4.12 -9.81 -1.09 0
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41054 8145183 2 OSN2H8C10 ABC2D8E10 43.75 3.05 -8.56 -1.07 0
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41055 8145184 1 N3O4H17C19 A3B4C17D19 -75.77 1.94 -8.9 -1.0 1
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41056 8145185 1 N2O2C23H27 A2B2C23D27 -3.67 9.42 0.0 0.0 0
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41057 8145186 1 N2O2C23H26 A2B2C23D26 -22.63 4.5 -8.37 -0.39 1
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41058 8145187 3 NOC7H8 ABC7D8 -46.28 8.74 0.0 0.0 0
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41059 8145188 1 N3O3C21H23 A3B3C21D23 -56.09 2.72 -8.73 -1.21 1
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41060 8145190 1 N2O2C21H29 A2B2C21D29 -33.84 4.95 0.0 0.0 0
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41061 8145191 1 N2O2C21H28 A2B2C21D28 -57.9 5.26 -8.31 0.16 0
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41062 8145196 1 OSN5C21H25 ABC5D21E25 68.99 3.26 -8.34 -0.46 1
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41063 8145197 1 ClN3O3C21H23 AB3C3D21E23 -33.59 12.15 0.0 0.0 0
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41064 8145198 1 ClN3O3C21H22 AB3C3D21E22 -50.91 5.05 -8.98 -1.5 1
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41065 8145199 1 OS2N5C19H24 AB2C5D19E24 77.98 3.63 0.0 0.0 0
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41066 8145200 1 OS2N5C19H23 AB2C5D19E23 83.21 5.24 -8.42 -1.54 0
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41067 8145202 1 SO2N4C21H24 AB2C4D21E24 25.8 5.15 -8.65 -0.88 1
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41068 8145203 1 OSN5C23H30 ABC5D23E30 67.42 6.68 0.0 0.0 0
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41069 8145204 1 OSN5C23H29 ABC5D23E29 51.82 5.16 -8.03 -0.22 0
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41070 8145205 2 NOH11C14 ABC11D14 66.86 2.86 -8.14 -0.54 1
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41071 8145206 1 OSN5C22H28 ABC5D22E28 81.42 8.04 0.0 0.0 0
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41072 8145207 1 OSN5C22H27 ABC5D22E27 62.49 4.28 -8.18 -0.54 0
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41073 8145210 2 NOH11C14 ABC11D14 66.65 2.66 -8.22 -0.55 1
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41074 8145212 1 OSN5C20H30 ABC5D20E30 41.36 5.31 0.0 0.0 0
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41075 8145213 1 OSN5C20H29 ABC5D20E29 19.98 4.81 -8.09 0.2 1
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41076 8145214 1 OSN6C22H29 ABC6D22E29 80.08 3.13 0.0 0.0 0
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41077 8145216 1 N7H11C13 A7B11C13 183.99 6.57 -9.83 -1.1 1
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41078 8145217 1 O3N4C21H31 A3B4C21D31 -90.29 5.82 0.0 0.0 0
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41079 8145218 1 O3N4C21H30 A3B4C21D30 -114.57 2.21 -8.73 0.22 1
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41080 8145219 1 FSO2N4C21H24 ABC2D4E21F24 1.45 8.05 0.0 0.0 0
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41081 8145220 1 FSO2N4C21H23 ABC2D4E21F23 -11.41 4.82 -8.11 -1.02 1
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41082 8145221 1 N3C25H26 A3B25C26 141.73 14.89 0.0 0.0 0
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41083 8145222 1 N3C25H25 A3B25C25 123.28 1.57 -8.92 -0.88 1
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41084 8145223 1 OSN6C22H29 ABC6D22E29 78.46 2.57 0.0 0.0 0
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41085 8145224 1 OSN6C22H28 ABC6D22E28 77.89 2.41 -8.56 -0.44 1
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41086 8145225 1 O3N4C24H31 A3B4C24D31 -57.1 1.99 0.0 0.0 0
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41087 8145226 1 O3N4C24H30 A3B4C24D30 -76.37 3.67 -8.34 -0.21 1
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41088 8145227 1 N3C25H26 A3B25C26 144.07 15.64 0.0 0.0 0
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41089 8145228 1 N3C25H25 A3B25C25 124.86 1.73 -8.63 -0.65 1
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41090 8145229 1 O3N4C24H31 A3B4C24D31 -53.74 2.91 0.0 0.0 0
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41091 8145230 1 O3N4C24H30 A3B4C24D30 -79.39 2.63 -8.68 -0.03 1
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41092 8145231 1 O3N4C22H33 A3B4C22D33 -89.81 0.92 0.0 0.0 0
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41093 8145232 1 O3N4C22H32 A3B4C22D32 -112.7 2.23 -8.38 0.24 1
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41094 8145233 1 O3N4C23H29 A3B4C23D29 -44.91 3.06 0.0 0.0 1
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41095 8145235 1 O3N4C23H29 A3B4C23D29 -46.35 4.72 0.0 0.0 0
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41096 8145236 1 O3N4C23H28 A3B4C23D28 -70.39 2.32 -8.56 -0.06 1
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41097 8145237 1 O3N4C24H31 A3B4C24D31 -52.09 0.62 0.0 0.0 0
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41098 8145238 1 O3N4C24H30 A3B4C24D30 -75.61 3.58 -8.34 -0.04 1
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41099 8145239 1 O3N4C24H31 A3B4C24D31 -50.12 3.99 0.0 0.0 0
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41100 8145240 1 O3N4C24H30 A3B4C24D30 -72.17 1.39 -8.05 -0.02 0
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41101 8145241 1 O2N7C21H23 A2B7C21D23 55.71 8.02 -8.95 -1.21 1
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41102 8145242 1 O3N4C22H35 A3B4C22D35 -104.01 5.81 0.0 0.0 0
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41103 8145243 1 O3N4C22H34 A3B4C22D34 -122.33 0.87 -8.14 0.26 0
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41104 8145246 1 IN3H12C17 AB3C12D17 129.92 2.32 -8.94 -1.15 0
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41105 8145255 1 O3N4C22H32 A3B4C22D32 -119.18 2.43 -8.7 0.23 0
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41106 8145259 1 N3O3C24H29 A3B3C24D29 -61.82 3.71 -8.82 -1.23 0
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41107 8145262 1 NO2H15C25 AB2C15D25 111.53 6.95 -8.92 -1.9 0
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41108 8145265 1 N3O3C22H25 A3B3C22D25 -51.96 3.85 -8.82 -1.26 0
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41109 8145267 1 SO2N4H18C21 AB2C4D18E21 45.4 9.97 -8.79 -1.16 1
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41110 8145268 1 N4O5C21H23 A4B5C21D23 -47.53 14.72 0.0 0.0 0
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41111 8145273 1 SO2N4H18C21 AB2C4D18E21 46.09 10.09 -8.87 -1.07 1
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41112 8145274 1 SO2N5C20H24 AB2C5D20E24 61.63 10.51 0.0 0.0 0
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41113 8145275 1 SO2N5C20H23 AB2C5D20E23 41.75 3.33 -8.23 -1.21 0
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41114 8145276 1 N2O4C17H18 A2B4C17D18 -90.84 4.18 -9.25 -0.26 0
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41115 8145277 2 NO2H11C12 AB2C11D12 -82.35 3.52 -8.8 -0.55 0
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41116 8145279 1 SO2N3C23H23 AB2C3D23E23 1.45 5.44 -8.64 -0.84 0
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41117 8145281 1 N3O3C21H29 A3B3C21D29 -109.53 1.96 -8.01 0.21 1
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41118 8145282 3 NOC7H10 ABC7D10 -85.55 1.68 0.0 0.0 0
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41119 8145283 1 N3O3C21H29 A3B3C21D29 -110.72 1.95 -8.19 0.18 0
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41120 8145289 1 N2O4C17H18 A2B4C17D18 -94.26 6.64 -9.11 -0.26 1
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41121 8145290 1 N3O3C21H28 A3B3C21D28 -66.29 4.86 0.0 0.0 1
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41122 8145292 1 SO2N3C20H24 AB2C3D20E24 -16.59 8.61 0.0 0.0 0
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41123 8145294 2 NO2H11C12 AB2C11D12 -82.2 1.04 -8.93 -0.41 1
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41124 8145295 1 N3O3C21H28 A3B3C21D28 -63.42 3.3 0.0 0.0 0
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41125 8145297 1 N2O4C17H18 A2B4C17D18 -94.8 5.15 -9.18 -0.17 0
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41126 8145300 1 SN2O5C21H22 AB2C5D21E22 -156.97 6.0 -8.94 -1.6 1
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41127 8145303 1 OSN5C19H28 ABC5D19E28 70.95 4.78 0.0 0.0 0
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41128 8145307 1 OSN5C23H29 ABC5D23E29 52.86 2.9 -8.34 -0.24 0
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41129 8145308 1 ON2H16C21 AB2C16D21 54.01 4.1 -9.32 -0.67 0
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41130 8145315 1 O2S2N4C19H22 A2B2C4D19E22 34.54 2.94 -8.51 -1.24 0
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41131 8145322 1 SN4O4H14C15 AB4C4D14E15 -39.58 11.46 -9.13 -1.8 0
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41132 8145329 1 OSN5C22H27 ABC5D22E27 67.04 5.9 -8.36 -1.2 -1
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41133 8145330 1 NO3H14C20 AB3C14D20 12.39 19.29 0.0 0.0 1
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41134 8145333 1 N4O4C23H27 A4B4C23D27 -77.54 12.27 0.0 0.0 1
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41135 8145335 1 N4O4C18H25 A4B4C18D25 -114.82 11.11 0.0 0.0 1
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41136 8145337 1 SO2N5C22H28 AB2C5D22E28 32.72 3.67 0.0 0.0 0
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41137 8145338 1 SO2N5C22H27 AB2C5D22E27 34.83 6.83 -8.31 -1.16 1
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41138 8145341 1 N4O4C20H29 A4B4C20D29 -118.49 12.25 0.0 0.0 0
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41139 8145342 4 NOC5H7 ABC5D7 -135.11 5.28 -8.92 -1.05 1
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41140 8145345 1 SN3O4C20H24 AB3C4D20E24 -109.22 17.96 0.0 0.0 1
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41141 8145347 1 N4O4C17H23 A4B4C17D23 -105.13 12.81 0.0 0.0 0
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41142 8145348 1 N4O4C17H22 A4B4C17D22 -111.99 3.32 -8.17 -1.08 0
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41143 8145353 1 OSN5C23H29 ABC5D23E29 56.65 4.07 -8.29 -0.12 0
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41144 8145355 1 SN3O3C21H21 AB3C3D21E21 -33.94 6.18 -8.44 -0.89 1
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41145 8145356 1 N2O4C25H31 A2B4C25D31 -116.62 9.49 0.0 0.0 0
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41146 8145357 1 N2O4C25H30 A2B4C25D30 -126.75 4.07 -8.06 -0.73 0
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41147 8145358 1 O2N3H17C19 A2B3C17D19 30.8 4.24 -8.92 -0.96 1
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41148 8145359 1 N4O4C19H25 A4B4C19D25 -86.36 10.86 0.0 0.0 0
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41149 8145360 1 N4O4C19H24 A4B4C19D24 -105.0 1.76 -8.73 -1.27 0
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41150 8145362 1 SO2N4C22H26 AB2C4D22E26 17.12 4.82 -8.66 -0.81 1
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41151 8145366 1 N4O4C23H33 A4B4C23D33 -133.87 11.07 0.0 0.0 0
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41152 8145368 1 N4O5C21H24 A4B5C21D24 -140.19 7.28 -8.34 -0.27 0