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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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12450 137939 1 SC5H6 AB5C6 68.51 1.8 -8.49 0.01 0
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12451 137991 1 C9H16 A9B16 -15.03 0.93 -9.54 1.53 0
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12452 138020 1 C9H10 A9B10 56.69 0.92 -9.48 0.97 0
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12453 138025 2 C4H5 A4B5 37.29 0.54 -9.34 1.12 0
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12454 138036 1 NPO2C6H14 ABC2D6E14 -134.24 1.91 -8.34 0.98 0
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12455 138077 1 SH2N2C4 AB2C2D4 77.07 2.86 -9.92 -1.28 0
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12456 138078 1 NO3H9C12 AB3C9D12 -4.1 6.21 -9.39 -1.41 0
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12457 138086 1 OC11H16 AB11C16 -45.12 1.63 -9.53 0.19 0
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12458 138091 2 C5H9 A5B9 -28.99 0.41 -9.0 1.65 0
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12459 138119 1 N3C7H7 A3B7C7 86.88 3.0 -9.07 -0.45 0
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12460 138121 1 IC9H11 AB9C11 22.57 1.7 -9.46 -0.73 0
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12461 138122 1 NC2H3 AB2C3 38.87 1.75 -9.4 0.85 0
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12462 138261 3 OC2H2 AB2C2 -73.82 5.69 -11.18 -0.33 0
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12463 138265 1 NOC10H15 ABC10D15 -32.46 2.52 -8.09 0.38 0
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12464 138275 2 OC3H3 AB3C3 -58.93 0.51 -10.45 -1.31 0
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12466 138346 1 NO2C12H19 AB2C12D19 -108.28 3.58 -8.85 0.16 0
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12467 138348 1 O3H6C8 A3B6C8 -82.19 5.67 -10.32 -1.7 0
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12468 138349 1 C7H10 A7B10 11.91 0.85 -8.59 0.78 0
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12470 138351 14 CH2 AB2 -64.22 0.01 -9.97 4.04 0
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12471 138362 1 O3C8H16 A3B8C16 -146.09 2.01 -9.8 1.72 0
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12472 138363 1 NOC9H9 ABC9D9 0.99 2.79 -8.14 0.19 0
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12473 138366 1 NC7H13 AB7C13 3.47 1.85 -7.95 1.57 0
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12474 138408 1 SiC7H18 AB7C18 -60.74 0.15 -8.89 1.72 0
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12475 138409 1 N2O2C11H12 A2B2C11D12 -62.16 2.09 -9.75 -0.05 0
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12476 138433 10 CH AB 115.42 0.86 -9.34 -0.2 0