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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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35100 7979304 1 N2O3C20H33 A2B3C20D33 -119.08 5.71 0.0 0.0 0
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35101 7979305 1 N2O3C20H32 A2B3C20D32 -123.93 2.97 -8.34 0.1 0
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35102 7979306 1 SN2O5H18C20 AB2C5D18E20 -82.9 4.71 -9.29 -1.54 0
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35103 7979317 1 SN2O3H14C15 AB2C3D14E15 -64.86 4.01 -9.34 -0.42 0
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35104 7979318 1 SN2O4H18C20 AB2C4D18E20 -51.91 2.75 -8.77 -1.01 0
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35105 7979319 1 SN2O3H14C15 AB2C3D14E15 -64.96 3.98 -9.33 -0.42 0
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35106 7979320 1 N2S2O3H12C13 A2B2C3D12E13 -43.65 3.57 -9.38 -1.1 0
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35107 7979321 1 SN2O3H14C15 AB2C3D14E15 -65.36 5.7 -9.32 -0.5 0
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35108 7979322 1 SO2N3H11C15 AB2C3D11E15 26.58 1.77 -9.46 -1.23 0
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35109 7979323 1 NSO5H21C22 ABC5D21E22 -159.61 5.02 -9.25 -0.78 0
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35110 7979324 1 SN2O2F3H9C13 AB2C2D3E9F13 -163.91 4.45 -9.64 -1.15 0
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35111 7979326 1 ClNO3C17H18 ABC3D17E18 -93.4 5.61 -8.46 -0.24 0
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35112 7979332 1 NSO4C16H17 ABC4D16E17 -139.91 2.41 -9.12 -0.31 0
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35113 7979334 1 NSO4C16H17 ABC4D16E17 -140.24 3.18 -9.12 -0.32 0
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35114 7979335 1 ClS2N3O4C16H18 AB2C3D4E16F18 -99.03 5.19 -9.5 -1.21 0
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35115 7979336 1 NSO4C16H17 ABC4D16E17 -142.16 2.01 -9.05 -0.16 1
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35116 7979337 1 NO2C23H32 AB2C23D32 -43.31 1.39 0.0 0.0 1
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35117 7979339 1 NO3C22H30 AB3C22D30 -81.09 3.36 0.0 0.0 0
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35118 7979340 1 NO3C22H29 AB3C22D29 -105.8 0.92 -8.88 0.11 0
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35119 7979341 1 ClNSO3H18C20 ABCD3E18F20 -88.11 3.65 -9.15 -0.4 0
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35120 7979342 1 ClN2O2S2H13C17 AB2C2D2E13F17 10.83 2.32 -8.89 -1.19 0
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35121 7979343 1 ClNSO3H18C20 ABCD3E18F20 -88.15 2.95 -9.13 -0.47 0
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35122 7979344 1 SO2N3H9C13 AB2C3D9E13 31.05 4.64 -9.63 -1.32 0
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35123 7979347 1 NO2C23H31 AB2C23D31 -64.53 2.16 -8.62 0.1 1
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35124 7979348 1 NO3C22H30 AB3C22D30 -79.54 1.38 0.0 0.0 1
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35125 7979350 1 NO2C23H32 AB2C23D32 -42.96 1.54 0.0 0.0 0
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35126 7979351 1 NO2C23H31 AB2C23D31 -61.02 3.06 -8.68 0.07 1
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35127 7979352 1 NO3C22H30 AB3C22D30 -80.68 3.35 0.0 0.0 0
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35128 7979354 1 SN2O2C12H16 AB2C2D12E16 -52.11 0.48 -9.1 -0.98 0
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35129 7979357 1 ClNSO3H18C20 ABCD3E18F20 -86.57 1.68 -9.19 -0.43 0
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35130 7979362 2 NOSC7H7 ABCD7E7 -13.57 2.49 -9.02 -0.97 0
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35131 7979363 1 NSO5C17H17 ABC5D17E17 -179.63 6.99 -9.29 -0.45 0
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35132 7979364 1 SN2O2F3H11C15 AB2C2D3E11F15 -150.87 3.86 -9.11 -1.27 0
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35133 7979365 1 NF3O5H18C20 AB3C5D18E20 -301.25 7.82 -8.88 -1.08 0
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35134 7979366 1 NSO4C19H23 ABC4D19E23 -156.11 3.98 -9.06 -0.23 0
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35135 7979368 1 N3O5C19H21 A3B5C19D21 -113.11 5.93 -8.54 -0.3 0
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35136 7979369 1 SN2O2C11H12 AB2C2D11E12 -10.16 1.84 -9.32 -0.96 0
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35137 7979370 1 NSO4C19H23 ABC4D19E23 -151.94 2.7 -9.0 -0.18 0
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35138 7979371 1 SN2O4C16H16 AB2C4D16E16 -74.31 5.33 -8.8 -0.81 0
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35139 7979373 1 N3O4H21C22 A3B4C21D22 -58.56 9.13 -8.82 -0.72 0
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35140 7979374 1 SN2O3H14C15 AB2C3D14E15 -30.39 2.09 -9.12 -1.02 0
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35141 7979376 1 N3O5C16H17 A3B5C16D17 -105.97 4.01 -9.14 -0.79 0
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35142 7979377 1 ClNSO4H18C21 ABCD4E18F21 -112.42 2.94 -9.12 -1.0 0
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35143 7979378 1 ClNSO4H18C21 ABCD4E18F21 -114.94 4.11 -9.22 -0.93 0
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35144 7979380 1 SN2O2C14H18 AB2C2D14E18 -41.61 0.53 -9.01 -0.96 0
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35145 7979381 1 ClNSO4H18C21 ABCD4E18F21 -112.78 3.45 -9.22 -0.99 0
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35146 7979382 1 SN2O2C14H18 AB2C2D14E18 -42.34 1.53 -9.53 -1.04 0
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35147 7979385 1 SN2O4C22H22 AB2C4D22E22 -110.23 1.98 -9.09 -0.28 0
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35148 7979387 1 SN2O4C22H22 AB2C4D22E22 -108.79 3.65 -8.94 -0.32 0
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35149 7979388 1 S2N3O4C18H23 A2B3C4D18E23 -113.21 5.15 -9.24 -0.77 0