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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23466 603867 1 BrNOH14C15 ABCD14E15 -4.11 3.25 -9.09 -0.77 0
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23467 603868 1 BrIO3H10C15 ABC3D10E15 -42.34 2.5 -9.77 -1.19 0
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23468 603870 1 NBr2O2H11C15 AB2C2D11E15 -18.77 2.2 -9.94 -1.2 0
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23469 603878 1 BrN2O2H19C23 AB2C2D19E23 7.54 4.07 -9.47 -0.82 0
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23470 603890 1 BrNSO3C16H16 ABCD3E16F16 -102.82 3.61 -8.61 -1.15 0
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23471 603893 1 BrO3H11C15 AB3C11D15 -66.9 2.98 -9.75 -1.38 0
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23472 603896 1 BrN2O2H13C20 AB2C2D13E20 24.53 5.23 -8.96 -0.98 0
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23473 603898 1 BrNO2H12C20 ABC2D12E20 39.91 3.99 -9.02 -1.44 0
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23474 603901 1 BrNO3C18H18 ABC3D18E18 -92.36 5.04 -9.37 -1.04 0
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23475 603902 1 BrN2O5H11C17 AB2C5D11E17 -24.79 6.11 -9.41 -1.86 0
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23476 603903 1 BrSO2N3H10C12 ABC2D3E10F12 6.07 3.8 -9.7 -1.18 0
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23477 603904 1 BrO3C12H13 AB3C12D13 -111.37 1.75 -9.98 -0.95 0
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23478 603907 1 OBr2H8C9 AB2C8D9 -14.18 2.33 -10.05 -1.29 0
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23479 603924 1 BrNOH12C14 ABCD12E14 14.66 4.67 -9.28 -0.47 0
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23480 603925 2 BrOH3C4 ABC3D4 24.65 1.86 -9.36 -1.49 0
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23481 603927 1 BrN2O2H17C19 AB2C2D17E19 -1.49 3.29 -9.24 -0.89 0
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23482 603928 1 BrO2N3H14C16 AB2C3D14E16 -0.02 1.97 -9.15 -0.86 0
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23483 603930 1 BrNO3H14C17 ABC3D14E17 -58.87 5.3 -9.03 -1.16 0
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23484 603942 1 NO2H11C13 AB2C11D13 -9.22 5.18 -9.18 -0.54 0
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23485 603972 1 BrO2C18H27 AB2C18D27 -107.83 2.07 -9.55 -0.1 0
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23486 603996 2 OSC4H4 ABC4D4 -31.08 0.04 -8.2 -0.33 0
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23487 604054 1 N2O2C17H20 A2B2C17D20 -45.7 3.81 -8.89 -0.16 0
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23488 604071 2 Br2C7H9 A2B7C9 -22.45 3.77 -9.65 -1.16 0
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23489 604072 1 ClNBr2O4H10C15 ABC2D4E10F15 -111.26 1.49 -8.51 -1.26 0
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23490 604111 1 NO2Si2C14H33 AB2C2D14E33 -228.16 2.59 -9.09 0.73 0
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23491 604112 1 SSiO2N3C8H15 ABC2D3E8F15 -96.22 4.42 -9.31 -0.59 0
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23492 604118 2 NC6H7 AB6C7 45.8 2.48 -8.64 -0.15 0
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23493 604144 2 NC6H7 AB6C7 67.73 2.04 -8.62 -0.03 0
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23494 604146 1 SCl2N3O3H13C14 AB2C3D3E13F14 -105.84 3.91 -9.22 -1.45 0
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23495 604147 1 SO3C12H18 AB3C12D18 -135.27 4.04 -8.57 -0.77 0
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23496 604149 1 N2S2C7H10 A2B2C7D10 41.52 3.22 -9.16 -1.12 0
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23497 604150 1 SN2O2H6C11 AB2C2D6E11 2.46 5.98 -9.29 -1.81 0
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23498 604166 1 ON2C20H22 AB2C20D22 -9.66 2.75 -8.69 -0.07 0
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23499 604184 2 NC6H7 AB6C7 21.96 3.06 -8.28 0.12 0
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23500 604187 2 NSC8H16 ABC8D16 -34.28 1.9 -9.02 0.06 0
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23502 604235 1 PO5C24H29 AB5C24D29 -200.4 2.45 -8.64 0.02 0
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23503 604240 1 S2H16C19 A2B16C19 77.08 0.44 -8.62 -0.62 0
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23504 604245 1 OS2N4H12C16 AB2C4D12E16 96.53 3.43 -8.76 -1.42 0
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23505 604249 1 O4H12C17 A4B12C17 -100.48 2.33 -8.64 -1.2 0
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23506 604251 1 BrN2O2C10H11 AB2C2D10E11 -73.85 6.6 -8.92 -0.49 0
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23507 604276 1 ClNOC12H12 ABCD12E12 12.65 2.88 -8.77 -1.0 0
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23508 604277 2 ClC3F3 AB3C3 -240.49 0.5 -10.02 -1.63 0
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23509 604283 1 NO3C13H13 AB3C13D13 -78.05 4.72 -9.09 -1.58 0
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23510 604287 1 ClN2O3C16H19 AB2C3D16E19 -131.7 3.88 -8.25 -0.71 0
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23511 604288 2 NOC7H7 ABC7D7 11.91 8.33 -8.69 -1.34 0
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23512 604291 1 ON3C14H17 AB3C14D17 -1.69 1.46 -8.98 -0.2 0
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23513 604330 2 NSC8H12 ABC8D12 8.06 2.64 -8.55 -1.13 0
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23514 604331 2 NC8H11 AB8C11 68.52 7.99 -8.93 -0.42 0
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23515 604336 1 NO3H11C13 AB3C11D13 -77.89 0.85 -8.85 -1.07 0
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23516 604340 1 O2N3H11C12 A2B3C11D12 -8.79 3.11 -10.06 -1.5 0
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23517 604341 1 N2O3H18C19 A2B3C18D19 -68.84 7.44 -8.86 -0.59 0
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23518 604342 1 ClOC5N5H6 ABC5D5E6 -8.13 4.68 -9.05 -0.86 0
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23519 604346 1 OSiC13H30 ABC13D30 -144.2 1.65 -8.68 1.24 0
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23520 604347 1 SiO2C13H28 AB2C13D28 -202.72 2.61 -8.89 1.23 0
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23521 604348 1 BrO2C14H19 AB2C14D19 -88.86 1.69 -8.64 -0.34 0
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23522 604349 1 NO2H9C11 AB2C9D11 -29.37 4.03 -8.99 -0.58 0
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23523 604351 1 CrC14H21 AB14C21 193.27 0.29 0.0 0.0 -9
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23524 604352 1 CrC20H31 AB20C31 170.68 0.82 0.0 0.0 -11
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23525 604353 2 C5H8 A5B8 37.69 1.41 -9.13 0.47 -6
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23526 604354 1 CrC18H27 AB18C27 152.86 1.73 0.0 0.0 -11
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23527 604355 1 CrC20H23 AB20C23 215.61 0.07 0.0 0.0 -11
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23528 604356 1 CrC22H33 AB22C33 258.81 1.04 0.0 0.0 -9
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23529 604358 1 ClN2O2H7C10 AB2C2D7E10 -16.02 2.06 -9.21 -1.32 0
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23530 604360 2 NOC10H13 ABC10D13 -87.66 3.69 -9.42 -0.04 0
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23531 604361 1 MnNO3H10C12 ABC3D10E12 58.21 2.78 -7.26 -0.43 -5
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23532 604362 1 NC9H10 AB9C10 67.14 3.59 0.0 0.0 -5
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23533 604373 1 OSiF2C10H14 ABC2D10E14 -180.05 2.7 -9.6 -0.22 0
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23534 604381 1 SiC13H18 AB13C18 18.87 0.47 -9.32 0.44 0
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23535 604386 1 OSiC14H32 ABC14D32 -155.3 1.76 -9.13 1.48 0
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23536 604389 1 SiO2C12H26 AB2C12D26 -180.01 3.01 -8.94 0.65 0
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23537 604394 2 ON2H5C6 AB2C5D6 8.59 5.78 -10.69 -1.26 0
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23538 604395 1 ISO3C8H11 ABC3D8E11 -112.81 3.08 -9.98 -1.31 0
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23539 604399 1 PCl2N4O4C13H15 AB2C4D4E13F15 -144.43 6.67 -9.73 -1.03 0
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23540 604400 1 O4C15H28 A4B15C28 -220.47 2.27 -9.72 1.63 0
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23541 604401 2 ClOC8H9 ABC8D9 -100.66 5.0 -8.87 -0.51 0
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23542 604404 1 FON3C19H20 ABC3D19E20 -11.14 2.9 -8.84 -0.64 0
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23543 604486 1 NOC12H13 ABC12D13 -24.68 4.44 -8.74 -0.09 0
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23544 604488 1 O2N5C15H21 A2B5C15D21 -27.96 3.34 -8.46 0.03 0
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23545 604493 1 NO4H11C12 AB4C11D12 -145.95 6.98 -10.34 -1.64 0
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23546 604512 2 O2C7H7 A2B7C7 -145.74 6.5 -9.08 -0.99 0
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23547 604526 1 BrC9H15 AB9C15 11.9 2.11 -10.23 -0.01 0
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23548 604564 1 OC14H18 AB14C18 -57.78 4.38 -9.07 -0.19 0
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23549 604580 2 O2C8H11 A2B8C11 -179.59 3.63 -9.18 -0.17 0
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23550 604613 1 O2N5C15H15 A2B5C15D15 -30.77 9.23 -9.18 -1.27 0
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23551 604614 2 O3C17H26 A3B17C26 -336.48 4.8 -9.28 0.86 0
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23552 604671 1 NSi2O4C28H51 AB2C4D28E51 -293.02 4.02 -9.45 0.5 0
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23553 604672 1 PO3C8H13 AB3C8D13 -125.4 3.42 -9.72 -0.07 0
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23554 604673 1 ON2C11H12 AB2C11D12 7.96 4.75 -8.65 -0.27 0
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23555 604675 1 ON2C11H12 AB2C11D12 -13.46 2.09 -8.97 -0.82 0
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23556 604676 1 N2O3C20H26 A2B3C20D26 -66.31 6.12 -8.67 -0.89 0
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23557 604677 1 FN2H9C11 AB2C9D11 11.78 2.41 -9.59 -1.05 0
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23558 604678 2 NOH4C5 ABC4D5 -20.3 4.52 -9.63 -0.95 0
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23559 604679 1 OS2C8H12 AB2C8D12 -61.11 1.88 -8.93 0.1 0
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23560 604681 1 NPSiO6C23H34 ABCD6E23F34 -335.88 2.5 -9.09 -0.15 0
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23561 604683 1 N2O2H14C15 A2B2C14D15 0.89 1.11 -9.02 -0.3 0
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23562 604684 2 C7H10 A7B10 13.63 0.22 -9.88 2.67 0
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23563 604685 1 ON2C11H12 AB2C11D12 0.65 3.76 -9.3 0.05 0
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23564 604687 2 BrOC6H6 ABC6D6 -56.92 0.78 -9.77 -1.41 0
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23565 604688 2 NO2H10C11 AB2C10D11 -24.47 1.67 -9.84 -0.81 0
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23566 604693 1 OSN3H15C18 ABC3D15E18 60.45 3.4 -8.3 -0.55 0