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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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145264 53490090 1 FO2N6C23H23 AB2C6D23E23 9.6 4.88 -9.65 -1.63 0
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145265 53490124 1 O2N6C25H28 A2B6C25D28 47.56 1.4 -9.47 -1.65 0
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145266 53490125 2 ON3C12H13 AB3C12D13 50.08 5.04 -9.43 -1.66 0
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145267 53490126 1 O3N6C26H30 A3B6C26D30 1.28 3.64 -8.77 -1.63 0
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145268 53490158 1 ClFO2N6H20C22 ABC2D6E20F22 9.58 4.79 -9.72 -1.73 0
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145269 53490492 1 FO2N3C21H22 AB2C3D21E22 -81.44 1.52 -9.07 -1.15 0
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145270 53490599 1 SO2N4C19H28 AB2C4D19E28 -68.0 7.63 -9.19 -0.29 0
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145271 53490600 1 SO2N4C21H32 AB2C4D21E32 -78.85 7.65 -9.04 -0.22 0
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145272 53490619 1 SO3N6C23H34 AB3C6D23E34 -101.52 8.71 -9.16 -0.37 0
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145273 53491041 1 SF2O3N4H16C22 AB2C3D4E16F22 -62.35 5.24 -9.66 -1.76 0
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145274 53491042 1 SCl2O3N4H16C22 AB2C3D4E16F22 12.2 4.54 -9.56 -1.68 0
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145275 53491339 1 N2O2C15H16 A2B2C15D16 -17.38 2.64 -8.84 -0.48 0
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145276 53491470 1 FSO4N6H27C28 ABC4D6E27F28 -34.75 8.58 -8.63 -0.98 0
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145277 53491471 1 N13O13C43H77 A13B13C43D77 -651.95 12.28 -9.46 -0.1 0
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145278 53491827 1 ClO2N4C23H23 AB2C4D23E23 -28.17 10.75 -9.32 -1.94 0
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145279 53492019 1 O5N7C28H35 A5B7C28D35 -110.59 7.28 -8.63 -1.01 0
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145280 53492048 1 ClSO2N4H17C22 ABC2D4E17F22 31.4 5.73 -8.14 -0.77 0
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145281 53492302 1 N2P2O11C23H36 A2B2C11D23E36 -573.48 5.38 -9.01 -0.31 0
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145282 53492303 1 FeLiN2P2O14C24H34 ABC2D2E14F24G34 -745.01 3.97 0.0 0.0 0
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145283 53492715 1 F2O2N4H14C21 A2B2C4D14E21 -49.51 7.86 -9.05 -0.68 0
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145284 53492851 1 ON5C19H19 AB5C19D19 62.35 5.51 -9.23 -0.71 0
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145285 53493004 1 O2N4F7H15C23 A2B4C7D15E23 -308.26 1.37 -9.76 -1.19 0
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145286 53493005 1 O2N5C32H33 A2B5C32D33 59.35 7.01 -8.54 -0.68 0
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145287 53493204 1 NO3C21H23 AB3C21D23 -82.53 4.9 -9.42 -1.21 0
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145288 53493205 1 NO2C21H25 AB2C21D25 -56.04 2.38 -9.49 -0.11 0
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145289 53493443 1 F3O7H21C24 A3B7C21D24 -381.1 3.73 -9.27 -1.46 0
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145290 53493589 1 NSO2C12H15 ABC2D12E15 -33.34 2.62 -8.68 0.17 0
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145291 53493721 2 OC10H15 AB10C15 -97.05 3.48 -9.31 0.45 0
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145292 53493727 1 O3H18C20 A3B18C20 -71.0 4.54 -9.18 -0.38 0
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145293 53493779 1 F3N4C19H19 A3B4C19D19 -97.0 6.55 -8.5 -0.86 0
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145294 53493801 1 ClFSN3O5C27H29 ABCD3E5F27G29 -191.43 18.36 -8.81 -1.0 0
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145295 53493840 2 NOC17H27 ABC17D27 -144.59 6.75 -8.92 0.94 0
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145296 53493924 1 ClS2N4O4C25H29 AB2C4D4E25F29 -73.9 6.45 -8.54 -1.24 0
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145297 53493925 1 ClS2N4O5C25H29 AB2C4D5E25F29 -122.11 2.93 -8.56 -1.31 0
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145298 53493926 1 ClSO2N3C18H22 ABC2D3E18F22 -41.62 4.62 -8.82 -0.9 0
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145299 53494429 1 ON6C14H16 AB6C14D16 44.35 10.28 -9.19 -0.83 1
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145300 53494683 1 NaN8O9C68H70 AB8C9D68E70 -234.94 13.76 0.0 0.0 0
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145301 53495263 1 ClN4O4H21C24 AB4C4D21E24 -39.07 4.12 -9.39 -0.98 1
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145302 53495264 1 ClN4O4H22C24 AB4C4D22E24 -27.34 5.91 0.0 0.0 0
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145303 53495265 1 NO2C12H21 AB2C12D21 -102.72 1.29 -8.98 0.83 0
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145304 53495428 1 SO3H16C19 AB3C16D19 20.88 1.41 -8.59 -0.26 0
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145305 53495429 1 SO3H14C17 AB3C14D17 4.66 2.48 -8.5 -0.26 0
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145306 53495430 1 SO3H20C21 AB3C20D21 -11.0 1.31 -8.48 -0.15 0
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145307 53495691 1 ClNO5C20H20 ABC5D20E20 -160.93 4.0 -8.79 -0.54 0
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145308 53495917 1 N11O15C48H85 A11B15C48D85 -782.25 17.04 -9.41 -0.52 0
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145309 53496395 4 NC4H4 AB4C4 116.44 0.21 -8.84 -1.17 0
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145310 53496556 1 O5C16H22 A5B16C22 -184.61 1.88 -8.51 0.02 0
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145311 53496557 1 O5C21H30 A5B21C30 -189.62 1.62 -8.54 -0.07 0
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145312 53496786 1 BrNSiC22H24 ABCD22E24 35.18 2.31 -8.67 -0.12 0
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145313 53497107 1 NO3H13C16 AB3C13D16 -54.72 1.71 -9.1 -0.79 0
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145314 53497108 1 NO3H13C16 AB3C13D16 -55.99 0.64 -8.89 -0.83 0
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145315 53497213 1 OH16C18 AB16C18 13.99 1.6 -8.26 -0.41 1
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145316 53497313 1 PO4H32C35 AB4C32D35 -35.35 8.74 0.0 0.0 0
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145317 53497495 1 O3N6F7H19C25 A3B6C7D19E25 -310.82 10.9 -9.5 -1.05 0
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145318 53499560 4 NOC4H5 ABC4D5 -97.34 2.58 -9.06 -0.73 0
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145319 53499692 3 NOC5H7 ABC5D7 -109.55 4.78 -9.36 -0.41 0
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145320 53499909 1 SO3N5C13H13 AB3C5D13E13 -46.23 3.28 -8.97 -1.29 0
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145321 53499934 1 N3O3C18H19 A3B3C18D19 -77.39 4.95 -8.44 -0.06 0
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145322 53499935 1 OSN6C16H24 ABC6D16E24 38.26 3.38 -8.76 -0.41 0
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145323 53500165 1 N7C13H21 A7B13C21 102.46 6.95 -8.9 -1.28 0
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145324 53500177 1 ON6C15H16 AB6C15D16 71.29 1.97 -9.02 -1.01 0
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145325 53500178 1 SN6C14H18 AB6C14D18 120.23 6.79 -9.12 -0.92 0
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145326 53500179 1 N2O3C17H18 A2B3C17D18 -67.54 5.25 -8.99 -0.26 0
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145327 53500180 1 N2O4C19H26 A2B4C19D26 -169.36 4.54 -8.7 -0.01 0
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145328 53500890 1 N9C17H19 A9B17C19 162.6 8.26 -9.1 -1.38 0
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145329 53500961 1 ON5C17H21 AB5C17D21 34.68 6.68 -9.54 0.02 0
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145330 53501464 1 ON5C17H31 AB5C17D31 -36.02 3.97 -8.52 0.52 0
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145331 53501696 1 SN2O4C12H14 AB2C4D12E14 -76.93 6.02 -9.19 -0.71 0
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145332 53502003 1 ON4C18H30 AB4C18D30 -23.07 3.35 -8.72 0.27 0
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145333 53502004 1 FON5C18H24 ABC5D18E24 -30.76 4.58 -8.59 -0.39 0
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145334 53502542 1 SO3N4C15H30 AB3C4D15E30 -146.08 7.88 -8.9 0.45 0
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145335 53502543 1 O2N5C14H25 A2B5C14D25 -68.26 5.41 -8.9 0.48 0
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145336 53502600 1 FN6C17H19 AB6C17D19 59.31 3.23 -8.58 -0.26 0
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145337 53502998 1 ON5C17H27 AB5C17D27 -19.94 5.79 -8.55 -0.07 0
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145338 53502999 1 ON5C13H23 AB5C13D23 -13.37 3.05 -8.9 0.69 0
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145339 53503000 1 ON5C19H31 AB5C19D31 -26.03 4.86 -8.45 0.03 0
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145340 53503179 1 N2O5C16H20 A2B5C16D20 -119.29 1.87 -9.52 -1.06 0
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145341 53503394 1 SO2N5C14H19 AB2C5D14E19 -30.63 4.05 -9.6 -0.74 0
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145342 53503513 1 SO2N3C15H17 AB2C3D15E17 -52.52 4.56 -9.44 -1.41 0
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145343 53503724 1 SN3O3C17H21 AB3C3D17E21 -14.51 3.75 -8.89 -0.61 0
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145344 53504645 1 OSN7C15H17 ABC7D15E17 64.43 2.92 -8.76 -0.56 0
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145345 53504883 1 O3N4C15H20 A3B4C15D20 -70.67 4.27 -9.34 0.18 0
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145346 53504998 1 N3O4C18H25 A3B4C18D25 -136.05 6.06 -8.31 -0.26 0
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145347 53505241 1 ON5C13H19 AB5C13D19 34.72 8.62 -8.57 -1.45 0
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145348 53505242 1 ClSN3O3C14H16 ABC3D3E14F16 -86.04 6.96 -9.46 -1.46 0
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145349 53505274 1 OSN5C13H19 ABC5D13E19 14.78 5.43 -8.98 -0.29 0
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145350 53505480 1 N3O4C17H25 A3B4C17D25 -166.34 4.63 -8.78 0.03 0
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145351 53505600 1 N2O2C19H28 A2B2C19D28 -81.67 3.97 -9.11 0.42 0
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145352 53505726 2 ON2C7H11 AB2C7D11 -58.89 3.22 -9.14 -0.87 0
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145353 53506296 1 OF3N5C14H16 AB3C5D14E16 -144.44 2.67 -9.26 -0.77 0
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145354 53506297 1 OSN4C16H22 ABC4D16E22 0.27 5.23 -8.73 -0.39 0
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145355 53506769 1 ClN2O2F3C14H14 AB2C2D3E14F14 -215.93 4.4 -9.58 -1.14 0
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145356 53508047 1 NSO6C15H23 ABC6D15E23 -235.1 6.0 -9.96 -1.01 0
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145357 53508123 1 ON4H16C21 AB4C16D21 87.74 8.43 -8.59 -1.26 0
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145358 53508364 1 SN3O4C20H25 AB3C4D20E25 -99.39 8.11 -9.02 -0.44 0
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145359 53508655 1 SO3N4C20H22 AB3C4D20E22 -55.79 4.19 -9.02 -0.94 0
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145360 53508797 1 F2O2N3C16H21 A2B2C3D16E21 -173.94 3.55 -9.74 -0.7 0
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145361 53509457 1 ClN4O4C11H13 AB4C4D11E13 -145.66 7.27 -9.63 -1.34 0
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145362 53509504 1 BrON4C15H17 ABC4D15E17 4.78 5.63 -9.04 -0.98 0
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145363 53509875 1 N2O2C19H26 A2B2C19D26 -81.37 4.52 -9.19 0.31 0