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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12349 135565 1 NS2C15H18 AB2C15D18 52.03 2.19 0.0 0.0 1
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12350 135735 1 ClO2C17H31 AB2C17D31 -167.9 4.28 -10.28 0.01 0
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12351 135737 1 PO4N5C12H16 AB4C5D12E16 -71.38 8.91 -9.16 -1.19 0
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12352 135738 1 IPO2N4C11H14 ABC2D4E11F14 -45.82 7.11 -8.73 -0.6 0
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12353 135761 1 O14H23C24 A14B23C24 -527.84 2.44 0.0 0.0 0
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12354 135762 1 PO2N3C5H12 AB2C3D5E12 -148.85 5.82 -9.94 -0.17 0
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12355 135764 1 O3C24H26 A3B24C26 -95.05 5.49 -8.64 -1.34 0
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12356 135765 1 O21N22C72H124 A21B22C72D124 -984.24 19.88 -9.06 -0.41 0
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12357 135768 1 PO9C27H45 AB9C27D45 -493.64 8.07 -9.76 0.12 0
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12358 135770 1 ClFO2N3C23H27 ABC2D3E23F27 -111.08 9.88 -8.69 -0.24 0
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12359 135773 1 NI5O6H10C22 AB5C6D10E22 -78.76 8.26 -9.35 -2.04 0
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12360 136027 1 H3C6N7 A3B6C7 146.88 0.0 -10.26 -2.66 0
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12361 136051 1 OH10C16 AB10C16 51.0 2.43 -8.42 -1.11 0
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12362 136090 8 CH AB 106.54 0.0 -10.51 2.95 0
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12363 136136 1 SC5H6 AB5C6 27.34 2.08 -8.12 0.58 0
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12364 136172 1 BrClF3H3C7 ABC3D3E7 -142.21 2.96 -10.03 -1.26 0
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12365 136266 1 CPCl2F3 ABC2D3 -220.96 0.95 -10.74 -0.7 0
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12366 136273 1 F2H2C3 A2B2C3 -52.75 2.2 -10.4 -0.01 0
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12367 136279 1 NC3F9 AB3C9 -462.54 0.05 -12.6 -1.85 0
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12368 136304 1 OC3F3H5 AB3C3D5 -204.8 3.99 -10.53 0.99 0
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12369 136404 1 OH14C17 AB14C17 26.75 1.58 -8.44 -0.24 0
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12370 136436 2 COH2N2 ABC2D2 -34.37 0.15 -9.94 -0.68 0
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12371 136440 1 OC6H12 AB6C12 -56.68 2.2 -9.96 1.39 0
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12372 136456 2 NC2O2H4 AB2C2D4 -177.67 1.5 -10.45 0.35 0
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12373 136460 2 C3O3H7 A3B3C7 -284.42 2.58 -10.54 1.51 0
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12374 136461 1 C5H6 A5B6 57.94 0.94 -9.52 0.51 0
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12375 136462 1 NF2C4H9 AB2C4D9 -37.7 2.81 -10.72 1.21 0
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12376 136463 1 ClPC2F6 ABC2D6 -364.86 0.59 -10.97 -0.88 0
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12377 136464 1 OSF3H3C6 ABC3D3E6 -158.26 4.51 -9.78 -1.68 0
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12378 136471 1 IC3H3 AB3C3 64.35 1.18 -9.99 -1.32 0
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12379 136478 1 ClC3F3 AB3C3 -106.36 3.13 -11.23 -0.09 0
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12380 136479 1 OC6F6H8 AB6C6D8 -384.39 0.58 -10.71 0.72 0
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12381 136481 1 NC3F3H6 AB3C3D6 -163.6 3.33 -10.12 0.83 0
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12382 136482 1 ClNOC4H8 ABCD4E8 -10.5 2.75 -9.46 -1.06 0
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12383 136538 1 C11H14 A11B14 5.58 0.57 -9.25 0.48 0
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12384 136556 2 OC6H6 AB6C6 -51.54 5.76 -9.77 0.14 0
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12385 136593 2 C4H7 A4B7 -20.38 0.14 -8.71 1.74 0
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12386 136668 10 CH2 AB2 -36.29 0.01 -8.85 1.59 0
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12387 136693 3 NH3C4 AB3C4 108.28 4.29 -9.08 -0.9 0
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12388 136698 2 OC15H15 AB15C15 -25.7 0.31 -8.87 0.34 0
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12389 136701 1 ClC6H13 AB6C13 -51.65 2.7 -10.37 1.17 0
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12390 136703 1 O3C5H6 A3B5C6 -103.24 0.62 -9.77 -0.9 0
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12391 136704 2 C3H5 A3B5 30.95 1.02 -10.56 1.87 0
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12392 136705 2 HNC2 ABC2 82.32 3.95 -11.7 -1.37 0
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12393 136711 1 OSC4H8 ABC4D8 -39.56 5.3 -8.74 -0.31 0
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12394 136720 1 NOC8H17 ABC8D17 -35.72 1.27 -9.96 0.76 0
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12395 136721 1 NOC3H5 ABC3D5 -26.16 4.07 -10.05 1.12 0
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12396 136818 1 S3H12C17 A3B12C17 73.44 2.72 -8.44 -1.74 0
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12397 136917 3 NPO2H10C12 ABC2D10E12 -217.01 3.37 -9.22 -0.1 0
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12398 136953 1 Sn2C21H26 A2B21C26 117.33 0.74 -9.36 0.43 0
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12399 136967 1 FeH14C18 AB14C18 203.07 1.76 -7.38 -0.08 -10
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12401 137057 1 BrC6H9 AB6C9 -3.92 2.87 -9.89 -0.16 0
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12402 137061 1 SeC8H10 AB8C10 15.35 1.39 -8.35 -0.01 0
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12403 137065 1 OC16H16 AB16C16 0.75 3.09 -9.39 -0.4 0
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12404 137069 1 ClC2S2F3 AB2C2D3 -126.31 1.25 -9.82 -2.1 0
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12405 137112 1 C11H12 A11B12 57.06 0.84 -9.05 0.02 0
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12406 137119 2 N2H5C10 A2B5C10 195.77 6.77 -10.04 -0.77 0
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12407 137132 1 IO2H7C9 AB2C7D9 -29.69 5.71 -9.79 -1.25 0
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12408 137140 1 H10C11 A10B11 106.47 0.99 -8.6 -0.79 0
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12409 137172 1 S2H6C7 A2B6C7 44.61 1.71 -8.41 -0.46 0
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12410 137173 1 SO2C13H24 AB2C13D24 -131.6 3.04 -8.4 0.85 0
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12411 137174 1 C17H20 A17B20 23.56 0.51 -9.22 0.33 0
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12412 137175 1 NSH15C20 ABC15D20 118.07 5.2 -8.88 -0.44 0
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12413 137176 1 OC8H12 AB8C12 -39.24 4.48 -9.86 -0.07 0
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12414 137181 1 FPN2C4H12 ABC2D4E12 -97.2 1.15 -8.36 1.68 0
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12415 137212 19 CH2 AB2 -86.43 0.09 -10.65 3.87 0
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12416 137214 1 IO2H7C8 AB2C7D8 -51.27 3.81 -9.73 -1.22 0
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12417 137247 1 N4H12C13 A4B12C13 137.91 1.74 -8.56 -1.05 0
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12418 137248 1 NOC8H15 ABC8D15 -60.13 4.47 -9.15 1.46 0
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12419 137261 1 NOF3H12C15 ABC3D12E15 -163.58 3.57 -9.32 -0.55 0
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12420 137383 1 O8C11H18 A8B11C18 -373.95 1.31 -10.91 -0.14 0
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12421 137384 1 BrO2H11C12 AB2C11D12 -43.37 6.07 -9.49 -0.18 0
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12422 137385 1 OS2H8C12 AB2C8D12 49.04 0.74 -8.48 -1.0 0
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12423 137432 2 O2C5H9 A2B5C9 -210.05 6.59 -10.76 -0.02 0
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12424 137451 2 O2C5H6 A2B5C6 -143.62 4.05 -9.24 -0.27 0
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12425 137468 1 SeC2N2 AB2C2 70.98 3.49 -9.99 -1.58 0
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12426 137469 2 OH5F6C9 AB5C6D9 -670.52 1.03 -10.16 -0.95 0
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12427 137470 1 BrNC7H12 ABC7D12 -14.22 1.06 -9.26 -0.06 0
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12428 137471 1 ClC5H9 AB5C9 -19.09 2.63 -10.48 0.84 0
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12429 137474 1 H3O3C4F5 A3B3C4D5 -412.42 3.74 -12.28 -1.04 0
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12430 137477 1 NO2C9H13 AB2C9D13 -90.6 3.67 -8.98 0.14 0
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12431 137479 1 NO2C10H15 AB2C10D15 -98.23 3.62 -8.82 0.16 0
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12432 137483 1 NO2C9H13 AB2C9D13 -88.89 4.18 -8.81 0.32 0
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12433 137484 1 NO2C10H15 AB2C10D15 -100.13 4.43 -8.54 0.48 0
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12434 137553 1 C4H9 A4B9 -0.28 0.39 0.0 0.0 0
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12435 137603 1 H10C11 A10B11 176.47 0.87 -7.65 -0.94 0
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12436 137726 2 C4H7 A4B7 -19.22 0.6 -9.06 1.64 0
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12437 137777 1 ClNO2H4C8 ABC2D4E8 -7.3 5.06 -9.42 -1.65 0
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12438 137790 1 NC16H27 AB16C27 -22.77 2.23 -8.17 0.56 0
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12439 137815 2 C4H7 A4B7 -14.44 0.59 -9.04 1.6 0
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12440 137816 9 CH2 AB2 -33.42 0.25 -8.7 1.72 0
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12441 137819 1 NO4C24H27 AB4C24D27 -98.21 2.76 -8.79 -0.07 0
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12442 137848 1 C6H11 A6B11 -1.01 0.38 0.0 0.0 0
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12443 137872 1 NC3H4 AB3C4 42.24 3.74 0.0 0.0 0
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12444 137890 1 NOC10H13 ABC10D13 -9.27 2.82 -9.12 -0.46 0
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12445 137891 1 OC6H10 AB6C10 8.07 2.75 -9.67 0.86 0
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12446 137892 1 NC6H13 AB6C13 -14.29 2.21 -9.4 1.41 0
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12447 137893 16 CH AB 170.62 0.0 -7.78 -0.96 0
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12448 137933 1 ON2H8C11 AB2C8D11 45.0 3.47 -10.0 -1.35 0
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12449 137935 2 NC3H4 AB3C4 24.35 3.89 -8.71 0.01 0