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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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38253 8028492 1 N3O4C21H25 A3B4C21D25 -128.59 7.65 -9.28 -0.82 0
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38254 8028496 1 FO3N4C22H23 AB3C4D22E23 -126.85 3.58 -8.84 -0.97 0
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38255 8028499 1 O4N5H17C20 A4B5C17D20 -21.37 11.9 -8.74 -1.66 0
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38256 8028500 1 NO5C17H21 AB5C17D21 -198.16 7.02 -9.35 -0.98 0
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38257 8028507 1 FN3O3H16C18 AB3C3D16E18 -131.03 3.37 -8.99 -1.01 0
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38258 8028510 1 NO5C22H23 AB5C22D23 -170.21 4.8 -9.24 -0.92 0
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38259 8028513 1 NO5C23H25 AB5C23D25 -177.0 7.0 -9.38 -0.71 0
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38260 8028514 1 NO5C23H25 AB5C23D25 -179.18 6.15 -9.41 -0.79 0
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38261 8028531 2 NSO2C7H8 ABC2D7E8 -128.43 5.93 -8.83 -0.74 0
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38262 8028538 1 ClNO5H20C21 ABC5D20E21 -169.21 5.59 -9.19 -1.15 0
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38263 8028558 1 O2N3C15H17 A2B3C15D17 -53.78 2.88 -9.31 -0.82 0
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38264 8028561 1 S2N3O4C16H17 A2B3C4D16E17 -90.92 5.87 -9.29 -0.99 0
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38265 8028566 1 O4N5H15C19 A4B5C15D19 -14.07 6.79 -8.65 -1.72 1
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38266 8028590 1 ClN2O5C19H24 AB2C5D19E24 -171.63 10.53 0.0 0.0 0
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38267 8028592 1 N2S2O5C18H20 A2B2C5D18E20 -161.13 8.23 -9.73 -0.92 1
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38268 8028597 1 N2O4C23H33 A2B4C23D33 -165.37 2.86 0.0 0.0 0
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38269 8028603 2 NO2C12H17 AB2C12D17 -188.91 2.64 -9.01 -0.95 -1
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38270 8028617 1 NSO6H18C21 ABC6D18E21 -139.4 5.7 0.0 0.0 0
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38271 8028637 1 Cl2N2S2O3H14C15 A2B2C2D3E14F15 -73.19 3.42 -9.7 -0.98 0
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38272 8028822 1 NSO3H21C23 ABC3D21E23 -54.17 4.63 -8.78 -1.0 0
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38273 8028823 1 NSO3H21C23 ABC3D21E23 -54.67 2.4 -8.75 -1.02 0
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38274 8028841 1 N2O4H20C21 A2B4C20D21 -105.62 4.12 -9.22 -1.04 0
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38275 8028847 2 NO2C11H15 AB2C11D15 -179.45 2.94 -8.97 -1.03 0
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38276 8028865 1 N3O4C21H23 A3B4C21D23 -110.24 8.68 -9.27 -1.08 1
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38277 8028945 1 N3O4C18H22 A3B4C18D22 -136.39 7.53 0.0 0.0 1
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38278 8029001 1 ClN3O3H17C22 AB3C3D17E22 -2.91 5.85 0.0 0.0 0
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38279 8029002 1 NO5H21C22 AB5C21D22 -168.73 4.08 -9.04 -1.15 0
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38280 8029012 1 SN2O2H14C19 AB2C2D14E19 25.6 2.19 -8.67 -1.7 0
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38281 8029014 1 SN3O4H13C20 AB3C4D13E20 -19.47 6.55 -9.27 -1.74 0
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38282 8029033 1 SN2O6C19H20 AB2C6D19E20 -212.29 7.84 -9.23 -1.35 -1
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38283 8029041 1 N2S2O3H11C16 A2B2C3D11E16 18.11 5.74 0.0 0.0 0
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38284 8029170 1 FSN2O4H13C21 ABC2D4E13F21 -77.0 4.52 -9.06 -1.5 0
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38285 8029172 1 FN2S2O5H15C16 AB2C2D5E15F16 -217.79 8.92 -9.9 -1.75 1
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38286 8029193 1 N2O5C23H25 A2B5C23D25 -108.73 6.62 0.0 0.0 0
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38287 8029203 1 N3O5C23H25 A3B5C23D25 -97.76 2.57 -8.79 -1.27 0
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38288 8029295 1 SN2O5C20H20 AB2C5D20E20 -158.59 4.79 -9.35 -1.68 0
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38289 8029299 1 ClN3O5C20H22 AB3C5D20E22 -212.77 3.67 -9.35 -0.95 0
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38290 8029305 1 ClN3O5C20H22 AB3C5D20E22 -208.93 5.16 -9.43 -1.09 0
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38291 8029308 2 NSO2C10H12 ABC2D10E12 -115.17 2.27 -9.05 -1.51 0
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38292 8029362 1 N3O4C21H21 A3B4C21D21 -63.23 2.3 -8.78 -0.98 1
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38293 8029363 1 O3N5C16H22 A3B5C16D22 -39.16 3.77 0.0 0.0 0
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38294 8029439 1 ClN2S2O5H15C16 AB2C2D5E15F16 -179.16 6.1 -9.82 -1.64 0
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38295 8029470 1 N3O3C19H23 A3B3C19D23 -127.17 3.01 -8.99 -0.38 0
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38296 8029539 1 O2N3C18H19 A2B3C18D19 -39.16 5.12 -8.99 -0.52 0
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38297 8029540 1 SN2O3C13H18 AB2C3D13E18 -131.14 3.17 -8.3 -0.41 0
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38298 8029553 1 O2F3N3H14C20 A2B3C3D14E20 -166.16 8.37 -9.78 -1.06 0
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38299 8029554 1 O2F3N3H14C20 A2B3C3D14E20 -166.12 8.43 -9.78 -1.07 0
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38300 8029656 1 SO2N4C18H18 AB2C4D18E18 -1.72 2.57 -8.84 -0.99 0
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38301 8029657 1 F2O2N3H13C19 A2B2C3D13E19 -93.13 4.62 -9.58 -0.89 0
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38302 8029670 1 N3O3C20H23 A3B3C20D23 -82.03 2.46 -8.39 -1.41 0
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38303 8029721 1 N2O6H12C17 A2B6C12D17 -93.61 6.56 -9.86 -1.7 0
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38304 8029722 1 O2N3H19C24 A2B3C19D24 35.27 4.71 -8.19 -0.88 0
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38305 8029728 1 SN4O4C18H24 AB4C4D18E24 -166.36 4.31 -8.89 -1.08 0
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38306 8029792 1 NO5C22H23 AB5C22D23 -134.76 3.29 -8.61 -1.04 1
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38307 8029793 1 O2N5C21H28 A2B5C21D28 -24.02 3.72 0.0 0.0 0
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38308 8029804 1 SN2O4C15H20 AB2C4D15E20 -176.76 4.18 -9.12 -1.05 0
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38309 8029879 1 FNO3H14C17 ABC3D14E17 -118.25 4.49 -9.57 -1.09 0
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38310 8029880 1 OSN4H16C18 ABC4D16E18 101.3 5.4 -8.7 -0.97 0
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38311 8029942 1 O4C11H18 A4B11C18 -199.51 1.72 -9.94 0.81 1
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38312 8030012 1 SO2N4C23H27 AB2C4D23E27 -22.89 3.54 0.0 0.0 0
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38313 8030120 1 N3O4C15H17 A3B4C15D17 -135.1 6.5 -9.56 -0.74 0
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38314 8030122 1 ClNO4C15H18 ABC4D15E18 -154.78 3.0 -9.06 -1.03 0
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38315 8030123 1 O2S2N3H19C20 A2B2C3D19E20 -30.06 5.93 -8.77 -0.85 0
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38316 8030124 1 O2S2N3H19C20 A2B2C3D19E20 -24.5 3.55 -9.15 -0.87 0
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38317 8030125 1 O2N4H20C21 A2B4C20D21 5.48 2.33 -8.53 -0.65 0
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38318 8030135 1 NF2O3H19C20 AB2C3D19E20 -173.03 5.62 -8.72 -0.68 0
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38319 8030404 1 ClN2C19H33 AB2C19D33 -23.32 2.69 -8.55 0.04 0
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38320 8030408 1 ClN4O4H13C18 AB4C4D13E18 6.41 11.36 -9.2 -1.37 0
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38321 8030419 1 SO2N4C15H20 AB2C4D15E20 -27.67 5.88 -9.01 -0.85 0
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38322 8030420 1 N3O3C21H23 A3B3C21D23 -51.03 7.44 -8.63 -0.35 0
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38323 8030458 1 SCl2O3N4C15H16 AB2C3D4E15F16 -61.17 3.37 -9.02 -1.18 0
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38324 8030461 1 FSO2N4H11C16 ABC2D4E11F16 53.03 6.76 -9.13 -1.85 0
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38325 8030462 2 N2C5H8 A2B5C8 69.63 0.25 -9.72 -0.52 2
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38326 8030477 1 N5C18H25 A5B18C25 115.26 13.99 -5.33 -0.4 1
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38327 8030478 1 N5C18H24 A5B18C24 72.06 2.6 0.0 0.0 0
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38328 8030479 1 ClNO5H18C20 ABC5D18E20 -153.02 4.2 -9.28 -0.88 0
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38329 8030609 1 NO4H13C17 AB4C13D17 -78.82 4.61 -9.02 -1.39 0
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38330 8030614 1 NO4H19C23 AB4C19D23 -70.67 6.16 -9.0 -1.15 1
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38331 8030620 1 ON5C17H24 AB5C17D24 37.37 2.98 0.0 0.0 0
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38332 8030623 1 ClN2O3C22H29 AB2C3D22E29 -135.56 2.86 -8.8 -1.08 2
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38333 8030645 2 NO2C11H13 AB2C11D13 -14.09 2.43 -5.47 -0.8 0
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38334 8030656 1 SO2N4H16C17 AB2C4D16E17 10.15 1.76 -9.07 -1.57 0
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38335 8030662 1 SN3O5H17C20 AB3C5D17E20 -41.2 3.52 -8.68 -1.72 0
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38336 8030664 1 ClFN2O2H14C17 ABC2D2E14F17 -92.8 3.84 -9.14 -0.66 0
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38337 8030679 1 N2O3C20H20 A2B3C20D20 -83.57 7.32 -8.76 -0.76 0
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38338 8030764 1 N2O3C26H28 A2B3C26D28 -59.51 4.55 -8.94 -0.34 0
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38339 8030854 1 OSF2N3H9C11 ABC2D3E9F11 -75.57 3.13 -9.29 -0.91 0
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38340 8030908 1 O3N5C23H27 A3B5C23D27 -57.1 5.24 -8.7 -0.5 0
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38341 8030944 1 ClNO5H12C22 ABC5D12E22 -76.74 3.43 -9.04 -1.59 0
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38342 8031155 1 SN3O4C17H17 AB3C4D17E17 -123.97 2.07 -8.97 -0.84 1
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38343 8031186 1 NO3C21H22 AB3C21D22 -48.49 14.13 0.0 0.0 0
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38344 8031304 1 N3O3H17C18 A3B3C17D18 -2.69 5.91 -8.53 -1.1 1
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38345 8031307 1 ON3C16H22 AB3C16D22 23.43 7.03 0.0 0.0 0
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38346 8031703 2 ON2C9H10 AB2C9D10 23.45 3.59 -9.25 -0.36 0
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38347 8031705 1 O2N4C19H22 A2B4C19D22 21.54 7.85 -9.47 -0.15 0
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38348 8031730 1 NO2C19H27 AB2C19D27 -90.38 5.32 -9.41 0.14 0
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38349 8031779 1 N3O3C17H21 A3B3C17D21 -73.06 2.99 -8.88 -0.07 1
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38350 8032020 1 SCl2O2N3C17H24 AB2C2D3E17F24 -81.66 4.44 0.0 0.0 1
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38351 8032025 1 ON3C24H28 AB3C24D28 36.71 4.74 0.0 0.0 0
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38352 8032077 1 FO2N4C23H29 AB2C4D23E29 -101.09 4.0 -8.95 -0.05 0