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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