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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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134111 51644919 1 NSO6C23H31 ABC6D23E31 -234.69 6.89 -8.98 -0.78 0
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134112 51644920 1 ClFON3H17C19 ABCD3E17F19 -23.32 5.82 -8.93 -0.79 1
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134113 51644921 1 ON4C18H27 AB4C18D27 -7.93 23.56 0.0 0.0 1
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134114 51644929 1 ClSO2N3C24H25 ABC2D3E24F25 -4.69 6.36 0.0 0.0 1
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134115 51645174 1 ON5C25H30 AB5C25D30 95.4 3.62 0.0 0.0 0
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134116 51645175 1 ClSN3O3C23H28 ABC3D3E23F28 -56.86 3.34 -8.82 -0.31 0
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134117 51645254 1 ClSN3O3C22H24 ABC3D3E22F24 -38.34 3.94 -8.82 -0.53 1
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134118 51645962 1 SO2N5C24H28 AB2C5D24E28 -1.1 1.67 0.0 0.0 0
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134119 51646604 1 SO3N5C23H31 AB3C5D23E31 -80.81 6.19 -8.52 -0.23 -1
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134120 51646890 1 ClSN2O5H12C14 ABC2D5E12F14 -52.9 6.79 0.0 0.0 0
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134121 51647080 1 ClSO3N4C22H23 ABC3D4E22F23 -47.33 6.05 -8.18 -0.92 0
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134122 51648217 1 O3N4C15H22 A3B4C15D22 -113.0 1.11 -8.69 -0.22 1
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134123 51648232 1 ClO2N3C21H25 AB2C3D21E25 -21.22 10.59 0.0 0.0 0
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134124 51648759 1 ON2C13H18 AB2C13D18 -12.79 4.26 -8.66 0.28 1
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134125 51649801 1 BrN3O3C23H31 AB3C3D23E31 -63.27 4.25 0.0 0.0 1
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134126 51649926 1 ON3C12H24 AB3C12D24 -38.99 5.5 0.0 0.0 1
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134127 51649927 1 ON3C19H36 AB3C19D36 -59.51 3.86 0.0 0.0 1
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134128 51650024 1 N2C26H31 A2B26C31 79.87 4.58 0.0 0.0 1
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134129 51650142 1 SN4O4C18H23 AB4C4D18E23 -57.61 11.38 0.0 0.0 0
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134130 51650143 1 SO3N4C26H42 AB3C4D26E42 -124.37 7.35 -8.77 -0.29 2
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134131 51650144 1 ON5C12H21 AB5C12D21 79.15 17.22 -4.37 -2.08 -1
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134132 51650271 1 SN2O4H15C16 AB2C4D15E16 -67.43 5.71 0.0 0.0 -2
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134133 51650272 1 SN2O5H12C15 AB2C5D12E15 -96.87 6.08 -9.93 -1.76 -1
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134134 51650273 1 SN2F3O4H12C15 AB2C3D4E12F15 -228.33 5.51 0.0 0.0 -1
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134135 51650274 1 SN4O5C20H25 AB4C5D20E25 -146.48 9.16 0.0 0.0 -2
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134136 51650275 2 NSO3C8H8 ABC3D8E8 -107.11 20.31 -8.64 -3.48 -1
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134137 51650392 1 SN2O2C16H23 AB2C2D16E23 -51.32 4.03 0.0 0.0 0
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134138 51650393 1 SN2O2C16H24 AB2C2D16E24 -104.81 3.61 -8.63 0.2 0
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134139 51651020 1 O2N3H17C19 A2B3C17D19 -28.99 5.83 -8.93 -0.54 1
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134140 51651337 1 O2N5C26H32 A2B5C26D32 47.54 4.84 0.0 0.0 0
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134141 51651483 1 N3O3C16H19 A3B3C16D19 -116.01 2.62 -9.18 -0.44 1
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134142 51651656 1 N4O6C23H29 A4B6C23D29 -110.83 8.87 0.0 0.0 -1
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134143 51652011 1 BrSO2N4C19H22 ABC2D4E19F22 -9.62 10.25 0.0 0.0 0
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134144 51652571 1 Cl2N2O5C20H20 A2B2C5D20E20 -162.57 5.28 -8.58 -0.37 0
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134145 51652572 1 ClN2O3C19H19 AB2C3D19E19 -88.33 3.19 -8.68 -0.48 0
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134146 51652573 1 ClN2O4H19C20 AB2C4D19E20 -138.26 2.52 -9.05 -0.9 1
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134147 51652574 1 O2N3C24H30 A2B3C24D30 -36.72 4.69 0.0 0.0 0
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134148 51652839 1 O2S2N4C19H24 A2B2C4D19E24 -30.79 4.86 -8.95 -1.0 0
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134149 51652840 2 OSN2C12H13 ABC2D12E13 5.27 5.25 -8.9 -1.14 -2
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134150 51653115 1 SN2O6H8C13 AB2C6D8E13 -19.84 4.22 -9.44 -1.76 0
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134151 51653125 1 SN3O3H23C26 AB3C3D23E26 -15.3 4.44 -8.83 -0.86 -1
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134152 51653376 1 N3S3O5H12C13 A3B3C5D12E13 -63.98 3.97 0.0 0.0 1
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134153 51653692 1 O2N3C19H28 A2B3C19D28 -70.62 8.52 0.0 0.0 1
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134154 51654501 1 O4N5C23H36 A4B5C23D36 -117.43 6.5 0.0 0.0 1
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134155 51654631 1 SO3N4C20H27 AB3C4D20E27 -47.67 10.68 0.0 0.0 1
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134156 51654671 1 ON3C19H32 AB3C19D32 -31.09 4.35 0.0 0.0 1
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134157 51655458 1 ClO2N3C21H25 AB2C3D21E25 -48.09 2.0 0.0 0.0 0
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134158 51655506 2 NO2C11H14 AB2C11D14 -158.84 4.23 -8.76 -0.26 -2
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134159 51655679 1 NP2C3O6H9 AB2C3D6E9 -371.8 7.12 -11.23 -1.16 -1
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134160 51655898 1 N2O6H7C10 A2B6C7D10 -81.84 2.18 0.0 0.0 -1
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134161 51655899 1 NO3H8C12 AB3C8D12 18.12 9.29 0.0 0.0 -2
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134162 51656148 1 SN2O5H16C18 AB2C5D16E18 -74.03 6.07 -9.64 -1.68 -1
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134163 51656216 1 S2N4O4H13C16 A2B4C4D13E16 -56.25 8.35 0.0 0.0 0
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134164 51656439 1 O3N4C19H26 A3B4C19D26 -64.05 15.45 -8.2 -0.48 0
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134165 51656440 1 O3N4C19H26 A3B4C19D26 -63.15 12.88 -8.32 -0.41 1
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134166 51656725 1 FN3O3C26H37 AB3C3D26E37 -125.39 5.54 0.0 0.0 3
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134167 51656811 1 O2N4C27H39 A2B4C27D39 17.71 3.26 0.0 0.0 1
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134168 51656936 1 O2N6C22H27 A2B6C22D27 23.05 5.58 0.0 0.0 0
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134169 51657434 1 O2N5C19H27 A2B5C19D27 -48.13 5.74 -8.9 -0.2 2
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134170 51657435 1 ON5C28H43 AB5C28D43 -17.15 5.39 -8.72 0.22 0
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134171 51657436 1 ON5C28H41 AB5C28D41 -8.19 4.28 -8.3 0.19 1
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134172 51657443 1 O2N3C26H32 A2B3C26D32 -1.7 3.32 0.0 0.0 0
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134173 51657745 1 SF2O3N4C20H20 AB2C3D4E20F20 -170.52 6.59 -8.88 -1.64 0
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134174 51658240 1 F2N2O3H20C22 A2B2C3D20E22 -135.26 1.65 -9.1 -0.66 0
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134175 51658241 1 F2N2O3H20C22 A2B2C3D20E22 -134.39 3.48 -9.19 -0.66 -1
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134176 51658242 1 FSO2N3H13C18 ABC2D3E13F18 -14.92 6.8 0.0 0.0 -1
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134177 51658243 1 FSN3O4H21C22 ABC3D4E21F22 -86.83 5.44 0.0 0.0 0
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134178 51658244 1 FSN3O4C22H22 ABC3D4E22F22 -133.31 2.69 -9.12 -0.55 0
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134179 51658407 1 S2O3N4C20H22 A2B3C4D20E22 -50.79 3.3 -8.7 -0.93 1
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134180 51658408 1 ClFSO3N4C18H21 ABCD3E4F18G21 -115.54 4.19 0.0 0.0 0
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134181 51658451 1 SO3N4C26H38 AB3C4D26E38 -99.28 6.04 -8.14 -0.63 0
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134182 51658549 1 O2N3C28H33 A2B3C28D33 -8.89 5.8 -7.88 -0.19 1
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134183 51658949 1 N3O4C19H22 A3B4C19D22 -92.01 2.36 0.0 0.0 0
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134184 51659120 1 OS2N5C17H23 AB2C5D17E23 21.31 6.09 -8.64 -0.74 2
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134185 51659121 1 O2N5C23H33 A2B5C23D33 -30.78 2.45 -8.4 -0.78 -1
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134186 51659134 1 S2O3N4C20H21 A2B3C4D20E21 -18.16 5.76 0.0 0.0 0
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134187 51659290 1 SO3N4C21H24 AB3C4D21E24 -64.77 5.83 -8.94 -1.66 0
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134188 51659974 1 NSC8H19 ABC8D19 -33.77 1.36 -8.5 0.86 0
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134189 51660210 1 O2F3N5C21H28 A2B3C5D21E28 -214.07 8.87 -9.77 -0.98 0
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134190 51660266 1 ClFSN2O3H18C21 ABCD2E3F18G21 -93.57 4.43 -8.83 -0.61 1
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134191 51660809 1 FO3N4H20C23 AB3C4D20E23 -82.3 10.18 0.0 0.0 1
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134192 51661003 1 FN3O4H23C25 AB3C4D23E25 -129.48 3.65 0.0 0.0 1
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134193 51661087 1 ClSN3O3H15C20 ABC3D3E15F20 -26.45 6.74 0.0 0.0 1
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134194 51661111 1 ClF2O3N4H16C22 AB2C3D4E16F22 -128.78 11.7 0.0 0.0 1
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134195 51661112 1 ClN4O5H22C24 AB4C5D22E24 -114.5 11.12 0.0 0.0 -1
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134196 51661423 1 O4N5H10C15 A4B5C10D15 50.1 7.58 0.0 0.0 0
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134197 51661424 1 O4N5H11C15 A4B5C11D15 20.15 4.94 -9.23 -2.2 1
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134198 51661609 1 N4O5H21C26 A4B5C21D26 -103.1 9.27 0.0 0.0 0
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134199 51661893 1 SO3N6C25H40 AB3C6D25E40 -140.0 7.24 -8.76 -0.39 0
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134200 51661894 1 SO3N6C25H40 AB3C6D25E40 -144.43 4.91 -9.24 -0.9 0
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134201 51662151 1 N3O3C22H23 A3B3C22D23 -9.21 6.68 -9.0 -0.56 0
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134202 51662198 1 S2N3O3C16H21 A2B3C3D16E21 -76.38 6.13 -9.45 -0.95 0
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134203 51662199 1 S2N3O3C16H21 A2B3C3D16E21 -76.03 4.73 -9.64 -0.89 0
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134204 51662200 1 S2N3O3C16H21 A2B3C3D16E21 -78.14 5.2 -9.59 -0.94 0
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134205 51662201 1 S2N3O3C16H21 A2B3C3D16E21 -78.53 5.14 -9.62 -0.9 0
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134206 51662224 1 S2N3O3C19H19 A2B3C3D19E19 -33.16 4.15 -9.57 -0.99 0
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134207 51662225 1 S2N3O3C19H19 A2B3C3D19E19 -33.15 5.29 -9.52 -0.93 0
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134208 51662340 1 S2N3O4C19H19 A2B3C4D19E19 -70.53 6.58 -8.15 -1.05 1
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134209 51662975 1 N4C35H37 A4B35C37 120.84 6.73 0.0 0.0 -1
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134210 51662976 1 Br2N2O4H11C17 A2B2C4D11E17 -31.02 2.0 0.0 0.0 -1