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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399292 135039451 1 NH14C15 AB14C15 84.62 1.82 0.0 0.0 0
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399293 135039456 1 NOC13H19 ABC13D19 23.98 1.99 -9.51 -0.07 0
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399294 135039465 1 NC16H17 AB16C17 59.03 2.05 -8.09 0.3 0
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399295 135039467 1 INSO4C8H14 ABCD4E8F14 -148.18 2.36 -9.96 -1.06 0
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399296 135039479 1 NSO3C13H19 ABC3D13E19 -99.7 5.23 -9.1 0.15 0
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399297 135039482 2 NOC6H6 ABC6D6 36.61 5.02 -9.57 -1.25 0
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399298 135039484 1 IO2H7C13 AB2C7D13 2.55 4.84 -9.23 -1.3 0
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399299 135039499 1 NOC12H15 ABC12D15 0.46 3.4 -9.25 0.22 0
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399300 135039502 1 FNSH14C16 ABCD14E16 7.8 2.87 -8.5 -0.34 0
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399301 135039509 1 ClNO2C13H14 ABC2D13E14 -76.65 2.49 -8.78 -0.46 0
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399302 135039516 1 O3C12H16 A3B12C16 -110.64 1.43 -9.4 0.32 0
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399303 135039517 2 OC5H5 AB5C5 12.65 1.54 -9.03 -0.39 0
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399304 135039523 1 FSiO2C8H15 ABC2D8E15 -183.84 6.18 -9.65 -0.08 0
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399305 135039530 1 OC13H18 AB13C18 -33.97 2.59 -9.31 0.35 0
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399306 135039542 1 O2C15H24 A2B15C24 -87.0 6.3 -8.93 -0.37 0
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399308 135039578 1 O4C15H24 A4B15C24 -191.99 7.52 -10.23 -0.49 0
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399309 135039583 1 NOSCl2C9H13 ABCD2E9F13 -62.0 2.02 -8.62 -0.5 0
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399310 135039592 1 OSN2C14H18 ABC2D14E18 -8.17 6.52 -7.8 -0.05 0
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399311 135039593 1 OSC16H20 ABC16D20 -8.68 1.97 -9.39 0.05 0
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399312 135039595 1 PO3C11H21 AB3C11D21 -205.05 3.44 -10.41 0.44 0
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399313 135039597 1 NOCl2H7C10 ABC2D7E10 -4.73 2.18 -9.27 -1.04 0
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399314 135039607 1 ON2H10C13 AB2C10D13 26.01 4.1 -8.38 -0.78 0
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399315 135039620 1 SiN2O2C14H20 AB2C2D14E20 -82.73 4.5 -8.83 -0.01 0
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399316 135039621 1 NO2C11H11 AB2C11D11 -25.46 2.9 -8.98 -0.29 0
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399317 135039622 2 FOH5C6 ABC5D6 -118.32 4.34 -9.83 -0.58 0
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399318 135039623 2 N2C5H5 A2B5C5 86.79 3.02 -8.83 -0.79 0
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399319 135039624 1 OC16H30 AB16C30 -92.57 2.27 -9.64 1.3 0
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399320 135039625 1 OSN2C12H24 ABC2D12E24 -77.3 5.48 -8.53 -0.18 0
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399321 135039626 1 NF2O2H9C10 AB2C2D9E10 -138.95 2.21 -10.4 -0.86 0
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399322 135039630 1 O2C17H24 A2B17C24 -90.16 1.06 -9.21 0.34 0
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399323 135039631 1 OC15H16 AB15C16 -15.51 1.27 -8.27 0.19 0
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399324 135039636 1 ClOF5C9 ABC5D9 -179.69 3.3 -11.01 -2.33 0
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399325 135039637 1 BrLi2H9C10 AB2C9D10 50.58 11.6 -7.48 1.34 0
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399326 135039638 1 BrC10H11 AB10C11 24.94 2.34 -9.49 0.22 0
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399327 135039653 1 NOF6H9C10 ABC6D9E10 -330.47 6.45 -9.5 -0.49 0
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399328 135039657 2 OC7H10 AB7C10 -70.8 3.06 -8.78 0.23 0
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399329 135039667 1 BrNF6H6C9 ABC6D6E9 -285.96 3.36 -10.21 -1.05 0
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399330 135039680 1 N2F6C11H12 A2B6C11D12 -290.93 7.38 -8.67 -0.3 0
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399331 135039681 2 OC8H9 AB8C9 -42.57 3.65 -9.49 -0.17 0
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399332 135039690 1 NOH11C12 ABC11D12 18.11 3.49 -9.98 -0.75 -1
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399333 135039697 1 N2H3F6C8 A2B3C6D8 -238.84 0.6 0.0 0.0 0
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399334 135039702 2 SO2C7H10 AB2C7D10 -184.52 5.29 -8.54 0.13 0
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399335 135039707 1 O2N3C13H17 A2B3C13D17 -62.4 5.48 -9.3 -0.57 0
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399336 135039714 1 O2C9H16 A2B9C16 -113.36 1.58 -9.78 2.08 -1
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399337 135039724 1 ClN2H4C6 AB2C4D6 71.62 2.81 0.0 0.0 0
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399338 135039725 1 BrNSH14C16 ABCD14E16 57.56 3.3 -8.46 -0.39 0
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399339 135039740 1 ClNC14H14 ABC14D14 20.71 2.62 -8.16 -0.01 0
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399340 135039742 1 O3C11H18 A3B11C18 -112.37 1.89 -10.28 0.38 0
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399341 135039746 1 O3C14H16 A3B14C16 -108.73 1.57 -9.51 -0.07 0
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399342 135039749 1 ClNOC14H14 ABCD14E14 -7.86 3.05 -8.1 -0.02 0
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399343 135039764 1 OC16H20 AB16C20 -4.76 2.65 -9.2 0.35 0
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399344 135039767 1 ClO2H15C17 AB2C15D17 -35.92 3.31 -9.57 -1.16 0
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399345 135039778 1 NO3C14H19 AB3C14D19 -90.59 1.86 -9.1 0.17 0
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399346 135039781 1 O3C17H22 A3B17C22 -123.66 1.86 -9.46 -0.02 0
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399347 135039791 1 NO2C16H21 AB2C16D21 -43.59 2.2 -8.93 -0.01 0
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399348 135039792 1 ON3C12H19 AB3C12D19 -1.12 3.6 -9.85 -0.17 0
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399349 135039793 1 C9O10H14 A9B10C14 -424.17 8.31 -10.87 -1.63 0
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399350 135039794 1 SO2C14H16 AB2C14D16 -38.61 2.85 -9.24 -0.44 0
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399351 135039795 1 SiO2C14H28 AB2C14D28 -162.2 3.82 -8.71 0.42 0
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399352 135039796 1 NO4C14H21 AB4C14D21 -147.08 2.86 -9.3 0.27 0
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399353 135039797 1 IOC11H11 ABC11D11 2.93 1.63 -9.36 -0.88 0
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399354 135039798 1 NO4C14H17 AB4C14D17 -151.04 3.16 -9.45 0.3 0
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399355 135039799 1 NO2C11H21 AB2C11D21 -114.85 2.59 -9.46 1.94 0
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399356 135039801 1 N2S2O3C10H20 A2B2C3D10E20 -94.1 3.23 -8.46 -0.1 0
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399357 135039802 1 O3C12H22 A3B12C22 -144.1 3.76 -9.62 0.47 0
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399358 135039803 1 ON2C16H18 AB2C16D18 -1.08 4.07 -8.66 -0.15 0
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399359 135039804 1 O3C14H16 A3B14C16 -105.65 3.71 -9.81 -0.64 0
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399360 135039807 1 NOF5H6C12 ABC5D6E12 -204.5 0.3 -10.56 -1.46 1
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399361 135039818 1 PO2C26H34 AB2C26D34 -23.52 7.49 0.0 0.0 0
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399362 135039821 1 SiO4C15H30 AB4C15D30 -263.26 2.93 -8.73 0.07 0
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399363 135039839 1 NO2C14H19 AB2C14D19 -92.4 4.04 -9.54 0.15 0
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399364 135039846 1 NO2C7H11 AB2C7D11 10.0 4.25 -10.7 -0.5 0
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399365 135039878 1 NOH13C15 ABC13D15 56.12 1.93 -8.35 -0.44 0
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399366 135039892 1 OC15H24 AB15C24 -67.03 1.96 -8.76 0.99 1
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399367 135039906 1 ON2C14H23 AB2C14D23 -6.84 6.01 0.0 0.0 0