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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9270 87620 1 SiO2C8H18 AB2C8D18 -168.06 3.58 -8.65 1.18 0
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9271 87645 1 NC12H13 AB12C13 22.06 1.9 -8.73 -0.34 0
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9272 87663 1 ON3C22H27 AB3C22D27 30.57 2.59 -8.4 -0.52 0
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9273 87668 1 ClO2N4C20H23 AB2C4D20E23 -21.63 4.74 -8.75 -1.58 0
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9275 87670 2 ON2C10H12 AB2C10D12 -8.42 3.64 -8.77 -1.35 0
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9276 87677 1 O2C11H22 A2B11C22 -114.06 0.3 -9.52 1.38 0
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9277 87682 1 NO2C9H21 AB2C9D21 -120.4 1.31 -8.94 1.9 0
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9278 87685 1 O2C17H24 A2B17C24 -80.76 1.91 -9.3 0.0 0
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9279 87693 1 NO2C8H15 AB2C8D15 -77.14 1.96 -8.83 -0.21 0
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9280 87695 1 O4C15H16 A4B15C16 -133.7 5.65 -8.91 -1.02 0
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9281 87702 1 O3Si4C16H42 A3B4C16D42 -392.16 1.2 -9.49 1.15 0
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9282 87705 1 OPH24C26 ABC24D26 61.2 6.5 0.0 0.0 1
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9283 87717 1 PCl2O2S2C11H15 AB2C2D2E11F15 -153.0 3.24 -9.13 -0.76 0
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9284 87734 2 NOH5C8 ABC5D8 85.0 0.8 -8.23 -1.7 0
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9285 87737 1 BrNO3H6C8 ABC3D6E8 -18.53 6.71 -10.57 -1.63 0
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9286 87739 1 N2O6C37H44 A2B6C37D44 -138.16 11.98 -8.84 -1.24 0
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9287 87762 1 OSC5H12 ABC5D12 -64.17 0.83 -8.59 0.76 0
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9288 87764 1 OPS3C12H15 ABC3D12E15 -79.93 4.84 -8.5 -0.58 0
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9289 87765 2 OC7H9 AB7C9 -87.61 2.47 -9.1 0.18 0
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9290 87766 2 OC7H9 AB7C9 -90.42 2.23 -9.1 0.19 0
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9291 87767 1 NOC14H23 ABC14D23 -61.29 2.94 -8.62 0.11 0
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9292 87771 1 SiCl3C20H41 AB3C20D41 -217.72 1.94 -10.57 -0.62 0
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9293 87773 2 OC8H8 AB8C8 -13.34 1.09 -8.84 -0.02 0
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9294 87777 1 SiO2C21H44 AB2C21D44 -230.95 3.13 -9.99 0.69 0
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9295 87781 1 SiO8C24H52 AB8C24D52 -509.8 3.67 -9.55 0.18 0
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9296 87784 1 ON3H7C8 AB3C7D8 33.92 1.07 -9.71 -1.09 0
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9297 87789 1 OC16H32 AB16C32 -113.32 3.51 -9.9 0.73 0
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9298 87798 1 SC8H10 AB8C10 6.92 2.47 -8.68 0.05 0
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9299 87799 1 SC8H10 AB8C10 5.89 2.62 -8.46 0.17 0
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9300 87802 1 C5H7N7 A5B7C7 73.8 5.4 -8.58 -0.37 0
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9301 87814 2 KBr2O2C4 AB2C2D4 -234.65 4.54 -9.39 -0.88 0
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9302 87824 1 SiN3O3C36H79 AB3C3D36E79 -328.71 2.94 -8.61 0.9 0
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9303 87825 1 N3O3H19C24 A3B3C19D24 11.95 5.95 -8.65 -1.49 0
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9304 87829 2 OH5C6 AB5C6 -43.66 1.99 -8.9 -0.22 0
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9305 87831 1 SiO4C38H76 AB4C38D76 -409.01 4.43 -10.03 0.41 0
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9306 87834 1 PC2H2O2Cl5 AB2C2D2E5 -184.92 0.79 -11.39 -1.28 0
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9307 87838 1 NO3S3C6H13 AB3C3D6E13 -119.51 4.98 -8.37 -0.41 0
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9308 87844 2 C8H9 A8B9 25.93 0.89 -9.11 0.38 0
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9309 87846 1 N2O2C13H15 A2B2C13D15 -39.01 2.44 0.0 0.0 1
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9310 87852 1 PN2C4O4H17 AB2C4D4E17 -274.9 2.38 -9.97 0.45 0
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9311 87865 1 SN2C13H22 AB2C13D22 -4.54 3.46 -8.35 -0.09 0
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9312 87884 2 NOC2H3 ABC2D3 11.36 4.54 -11.32 -0.93 0
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9313 87885 1 ClO2C6H11 AB2C6D11 -119.84 2.9 -10.84 0.16 0
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9314 87898 1 N3H5O5C8 A3B5C5D8 14.32 4.04 -10.91 -2.26 0
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9315 87901 1 NO6C8H13 AB6C8D13 -268.27 3.81 -10.72 -0.34 0
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9316 87902 1 SbC4H8Cl11 AB4C8D11 13.5 1.84 -9.08 -2.73 -6
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9317 87904 2 BrNOH13C14 ABCD13E14 12.06 11.66 -8.05 -1.62 0
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9319 87906 1 C7H12 A7B12 -8.91 0.61 -9.38 1.5 0
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9320 87910 1 ClSO2C8H9 ABC2D8E9 -81.88 6.74 -9.91 -1.05 0
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9321 87921 1 OF2H6C7 AB2C6D7 -117.71 3.0 -10.24 -0.64 0
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9322 87927 1 OC8H14 AB8C14 -54.31 3.31 -9.7 0.73 0
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9323 87935 2 NOC10H12 ABC10D12 -77.99 9.48 -8.62 -1.21 0
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9324 87942 2 OC13H25 AB13C25 -187.86 1.56 -9.46 0.86 0
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9325 87955 1 SeN2O2H4C7 AB2C2D4E7 55.82 4.14 -9.75 -1.94 0
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9326 87956 1 O5C17H26 A5B17C26 -234.65 0.94 -9.22 -0.88 0
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9327 88000 1 N3O8C10H15 A3B8C10D15 -333.19 5.8 -9.59 -0.71 0
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9328 88001 1 NO3H13C20 AB3C13D20 -35.92 1.89 -8.36 -1.81 0
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9329 88034 1 ClC13H19 AB13C19 -33.6 2.22 -9.09 0.13 0
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9330 88038 2 C5H11 A5B11 -51.34 0.06 -10.52 4.11 0
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9331 88049 1 NaPSC2N2O3H6 ABCD2E2F3G6 -235.77 8.47 -8.8 0.11 0
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9332 88052 1 NC5O5H7 AB5C5D7 -216.33 4.33 -11.02 -0.45 0
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9333 88064 1 NO3C5H9 AB3C5D9 -147.25 6.27 -10.28 0.3 0
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9334 88069 3 OH2C3 AB2C3 -87.93 7.56 -10.58 -1.67 0
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9335 88071 1 HgN3C14H14 AB3C14D14 130.08 3.69 0.0 0.0 0
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9336 88077 1 SN4O5C25H26 AB4C5D25E26 -124.5 9.11 -8.5 -1.17 0
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9337 88078 1 O2C13H24 A2B13C24 -140.45 2.06 -10.33 0.89 0
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9338 88079 1 N2O3C8H16 A2B3C8D16 -149.28 6.42 -10.21 0.33 0
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9339 88083 1 N3C9H23 A3B9C23 -12.24 2.26 -8.62 2.78 0
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9340 88099 1 O2H12C13 A2B12C13 -35.55 5.62 -8.79 -0.92 0
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9341 88101 1 ClSN3H8C10 ABC3D8E10 55.61 3.67 -9.07 -1.2 0
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9342 88102 1 KNO2C8H8 ABC2D8E8 -108.85 7.42 -8.25 0.17 0
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9343 88130 1 Cl2N3O3C16H23 A2B3C3D16E23 -144.02 6.39 -8.83 -0.13 0
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9344 88138 1 NO2Br3H10C11 AB2C3D10E11 -60.97 5.53 -9.07 -0.89 0
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9345 88143 1 ClFNO5C25H27 ABCD5E25F27 -238.78 6.89 -9.17 -0.89 0
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9346 88196 1 Cl5H9C15 A5B9C15 20.26 1.22 -9.55 -0.64 0
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9347 88267 1 OC9H12 AB9C12 -39.75 2.23 -9.3 0.26 0
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9348 88306 1 N2C17H22 A2B17C22 12.9 2.6 -8.07 0.5 0
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9349 88310 1 NOC9H9 ABC9D9 7.38 3.66 -9.13 -0.08 0
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9350 88311 3 O2C9H16 A2B9C16 -149.15 1.65 -8.86 0.24 0
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9351 88312 1 N2H14C17 A2B14C17 90.44 2.08 -8.61 -0.45 0
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9352 88313 1 PO3C8H19 AB3C8D19 -225.86 1.13 -9.96 1.19 0
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9353 88318 1 NC5H13 AB5C13 -21.47 1.45 -8.73 3.15 0
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9354 88324 1 NS2C4H7 AB2C4D7 20.52 1.67 -8.91 -0.17 0
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9355 88341 1 NO2C29H45 AB2C29D45 -139.93 3.51 -8.73 -0.68 0
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9356 88403 2 O2C13H13 A2B13C13 -112.06 0.93 -9.35 -0.85 0
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9357 88413 2 O3H7C8 A3B7C8 -201.64 5.9 -9.47 -0.6 0
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9358 88448 2 BrNOH13C14 ABCD13E14 65.53 24.34 -6.53 -3.09 0
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9359 88449 2 NOH13C14 ABC13D14 112.57 1.47 -4.15 -2.82 2
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9360 88472 2 OC10H20 AB10C20 -180.19 1.55 -10.55 0.87 0
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9361 88529 1 O3H12C13 A3B12C13 -75.4 2.72 -9.55 -0.3 0
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9362 88536 2 NOH10C14 ABC10D14 62.61 3.67 -8.48 -0.88 0
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9363 88543 1 NO4C8H9 AB4C8D9 -152.42 4.15 -10.09 -1.33 0
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9364 88604 1 ClO2N3C21H24 AB2C3D21E24 -36.69 4.39 -8.66 -0.71 0
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9365 88605 1 O2N3C21H23 A2B3C21D23 3.03 2.3 -8.48 -0.59 0
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9366 88620 4 H4C5 A4B5 61.59 0.25 -8.11 -0.75 0
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9367 88622 3 H6C7 A6B7 63.89 1.3 -7.93 -0.66 0
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9368 88629 1 ZrC4O5H6 AB4C5D6 -324.83 5.45 -9.65 -1.57 0
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9369 88640 1 GaHO2 ABC2 -37.23 3.29 -11.7 -1.8 0
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9370 88646 1 NO2C7H17 AB2C7D17 -105.66 2.11 -9.05 1.82 0
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9371 88647 1 F2H4N4C5O11 A2B4C4D5E11 -199.31 2.53 -11.99 -2.27 0