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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147673 53787330 1 SN2O4H18C21 AB2C4D18E21 -101.32 3.24 -9.09 -1.43 0
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147674 53787331 1 SN5O7C28H29 AB5C7D28E29 -147.59 12.97 -8.81 -0.95 0
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147675 53787332 1 OSN3C10H21 ABC3D10E21 -60.03 2.19 -9.05 -0.1 0
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147676 53787333 1 O2H10C15 A2B10C15 24.32 1.98 -9.19 -1.06 0
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147677 53787334 1 NO2F3H16C20 AB2C3D16E20 -178.69 6.82 -8.94 -1.03 0
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147678 53787335 1 NSF3O3C9H10 ABC3D3E9F10 -266.63 5.69 -10.24 -0.79 0
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147679 53787336 1 O5C16H16 A5B16C16 -179.02 2.88 -9.99 -0.96 0
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147680 53787337 1 ClN2O2H15C20 AB2C2D15E20 21.91 4.54 -8.13 -0.59 0
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147681 53787338 1 OC26H44 AB26C44 -126.04 2.47 -9.23 1.38 0
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147682 53787339 1 S2O8N11H31C33 A2B8C11D31E33 -109.57 5.89 -9.01 -1.46 0
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147683 53787340 1 ClO2N3C21H22 AB2C3D21E22 -30.21 1.3 -8.45 -0.88 0
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147684 53787341 5 OH2C3 AB2C3 -140.77 3.01 -8.97 -1.11 0
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147685 53787342 1 ClNO5H18C21 ABC5D18E21 -164.86 3.24 -9.43 -1.76 0
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147686 53787343 1 O3N6H12C13 A3B6C12D13 20.02 4.45 -9.81 -1.22 0
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147687 53787344 2 NC6H11 AB6C11 -6.05 5.03 -8.85 1.42 0
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147688 53787345 1 OSN3C8H11 ABC3D8E11 17.05 1.98 -8.81 -0.8 0
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147689 53787346 1 O2S2N3C11H19 A2B2C3D11E19 -29.23 4.44 -9.37 -1.01 0
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147690 53787347 1 BrNOC16H16 ABCD16E16 -1.4 2.34 -8.94 0.06 0
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147691 53787348 1 SiH7C10 AB7C10 119.7 0.38 0.0 0.0 0
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147692 53787349 1 SO5C24H38 AB5C24D38 -264.22 3.38 -8.91 -0.32 0
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147693 53787350 1 O5C32H36 A5B32C36 -147.47 3.9 -8.46 -0.82 0
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147694 53787351 1 O2N5C18H21 A2B5C18D21 88.74 9.02 -8.06 -1.37 0
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147695 53787352 2 NO2C11H18 AB2C11D18 -182.93 3.44 -8.88 -0.02 0
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147696 53787353 1 ON2C13H14 AB2C13D14 4.25 1.57 -9.44 -0.58 0
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147697 53787354 1 NO2C24H33 AB2C24D33 -65.65 2.6 -8.85 -0.44 0
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147698 53787355 1 N3O7C27H33 A3B7C27D33 -306.32 2.66 -8.74 -0.14 0
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147699 53787356 1 O2F4C9H12 A2B4C9D12 -302.99 4.67 -10.58 -0.52 0
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147700 53787357 1 NOC16H17 ABC16D17 11.12 3.61 -8.52 -0.31 0
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147701 53787358 1 NOSC15H15 ABCD15E15 63.97 1.42 -8.84 -1.37 0
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147702 53787359 1 N2O3C21H30 A2B3C21D30 -110.24 3.46 -8.21 0.9 0
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147703 53787360 1 SO8C33H38 AB8C33D38 -284.64 7.69 -8.63 -0.92 0
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147704 53787361 1 O5C29H38 A5B29C38 -190.8 5.32 -8.76 -0.62 0
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147705 53787362 1 ON2C11H26 AB2C11D26 -84.35 2.21 -8.68 2.66 0
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147706 53787363 1 SN2O2C16H20 AB2C2D16E20 -7.33 2.09 -8.03 0.19 0
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147707 53787364 1 N3C22H29 A3B22C29 40.99 2.72 -7.79 0.42 0
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147708 53787365 1 ON3C17H23 AB3C17D23 0.73 3.02 -8.06 0.28 0
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147709 53787366 1 N2S2O5C10H18 A2B2C5D10E18 -237.21 5.39 -9.13 -1.04 0
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147710 53787367 1 NO4C12H15 AB4C12D15 -147.14 6.04 -8.53 0.16 0
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147711 53787368 1 NO2H17C18 AB2C17D18 -36.46 6.91 -8.62 -0.32 0
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147712 53787369 1 ClN2O3C9H17 AB2C3D9E17 -165.22 5.66 -10.18 -0.17 0
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147713 53787370 2 PO3C6H13 AB3C6D13 -413.3 1.42 -9.86 0.8 0
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147714 53787371 1 ON2H12C14 AB2C12D14 26.77 7.98 -9.44 -1.1 0
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147715 53787372 1 SO3N4C19H22 AB3C4D19E22 -33.17 4.01 -8.9 -0.92 0
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147716 53787373 1 N2O3H16C18 A2B3C16D18 -76.0 6.43 -8.97 -0.64 0
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147717 53787374 1 BrOSN2H13C15 ABCD2E13F15 32.55 3.47 -8.6 -1.02 0
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147718 53787375 1 BrNO3C12H14 ABC3D12E14 -35.06 3.51 -10.61 -1.93 0
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147719 53787376 1 NOH11C14 ABC11D14 16.94 1.18 -8.93 -0.83 0
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147720 53787377 1 N2O9C14H18 A2B9C14D18 -299.92 8.4 -10.06 -1.28 0
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147721 53787378 1 N2O9C14H18 A2B9C14D18 -292.02 5.34 -10.36 -1.52 0
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147722 53787379 1 OC12H14 AB12C14 -11.54 3.78 -9.28 -0.4 0
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147723 53787380 1 N2F3O3H23C26 A2B3C3D23E26 -186.15 3.7 -8.67 -0.4 0
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147724 53787381 1 N4O5C24H28 A4B5C24D28 -154.38 5.42 -8.76 -0.95 0
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147725 53787382 1 BrN2O4C14H25 AB2C4D14E25 -147.08 2.76 -9.95 -1.52 0
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147726 53787383 1 ClFO2C25H34 ABC2D25E34 -158.53 2.54 -9.33 -0.2 0
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147727 53787384 1 NO4C13H25 AB4C13D25 -230.06 6.16 -10.3 0.23 0
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147728 53787385 1 O2N4C25H30 A2B4C25D30 -28.0 1.66 -8.32 -0.5 0
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147729 53787386 1 N2O3C19H28 A2B3C19D28 -56.22 3.48 -9.78 -1.65 0
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147730 53787387 2 C11H19 A11B19 -49.73 0.28 -9.33 1.3 0
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147731 53787388 1 N3O6C30H31 A3B6C30D31 -191.83 4.81 -8.85 0.07 0
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147732 53787389 1 SO2C14H22 AB2C14D22 -67.04 3.5 -8.12 -0.27 0
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147733 53787390 1 O2C25H42 A2B25C42 -70.68 8.09 -10.55 -0.73 0
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147734 53787391 1 SF2N4O4C33H34 AB2C4D4E33F34 -139.92 2.35 -8.82 -0.79 0
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147735 53787392 1 ClNOC4H8 ABCD4E8 -54.87 2.63 -9.94 -0.21 0
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147736 53787393 1 N3C8H17 A3B8C17 8.84 2.56 -9.33 0.84 0
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147737 53787395 1 N2F3O5H11C18 A2B3C5D11E18 -214.67 8.5 -9.88 -1.87 0
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147738 53787396 1 NSO2C16H19 ABC2D16E19 -73.53 4.58 -9.05 -0.52 0
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147739 53787397 2 O4C13H24 A4B13C24 -431.17 7.17 -10.14 -0.22 0
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147740 53787398 1 OSN3C19H25 ABC3D19E25 -11.48 2.4 -8.02 -0.14 0
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147741 53787399 1 ClO13C29H31 AB13C29D31 -488.89 6.26 -8.79 -0.79 0
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147742 53787400 1 SN2O2H26C27 AB2C2D26E27 4.88 4.7 -8.48 -0.49 0
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147743 53787401 1 BrClN3H15C18 ABC3D15E18 74.42 7.22 -9.17 -0.89 0
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147744 53787402 1 N3O5C18H19 A3B5C18D19 -140.57 7.29 -8.97 -1.62 0
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147745 53787403 1 NSO3C5H5 ABC3D5E5 -59.34 5.48 -10.1 -1.26 0
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147746 53787404 2 NOH8C11 ABC8D11 4.9 2.55 -8.38 -1.38 0
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147747 53787405 1 O3C24H32 A3B24C32 -70.62 4.99 -9.29 -0.44 0
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147748 53787406 1 S5O6N7H17C19 A5B6C7D17E19 -32.93 6.3 -9.25 -1.43 0
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147749 53787407 1 NOC5H11 ABC5D11 -36.3 2.22 -9.64 2.04 0
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147750 53787408 1 OSC4N4H6 ABC4D4E6 7.97 3.33 -9.16 -1.2 0
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147751 53787409 1 O3N6C20H24 A3B6C20D24 16.56 2.39 -8.89 -1.37 0
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147752 53787410 1 SN2O5C19H26 AB2C5D19E26 -222.15 3.06 -9.2 -1.27 0
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147753 53787411 1 OPC8H13 ABC8D13 -59.48 5.69 -9.9 -0.32 0
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147754 53787412 1 O2C29H38 A2B29C38 -96.71 4.02 -8.87 -0.36 0
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147755 53787413 1 N5O7C31H33 A5B7C31D33 -222.09 6.29 -9.47 -0.75 0
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147756 53787414 2 ON2C9H14 AB2C9D14 -60.49 1.58 -8.5 0.32 0
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147757 53787415 1 O5C29H32 A5B29C32 -166.24 9.32 -9.06 -0.96 0
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147758 53787416 2 N2C9H9 A2B9C9 99.02 3.59 -9.21 -0.39 1
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147759 53787417 1 NSC17H20 ABC17D20 36.97 3.87 0.0 0.0 0
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147760 53787418 1 OC11H14 AB11C14 -35.9 4.15 -9.25 -0.41 0
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147761 53787419 1 ClN9O14C63H94 AB9C14D63E94 -627.82 14.15 -9.29 -0.57 0
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147762 53787420 1 OSC7H16 ABC7D16 -79.88 3.24 -8.77 0.52 0
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147763 53787421 1 C13H18 A13B18 -2.05 0.48 -8.75 0.58 0
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147764 53787422 2 N2O2C9H13 A2B2C9D13 -157.65 6.16 -9.34 -0.82 0
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147765 53787423 2 ON2C6H9 AB2C6D9 -63.89 1.71 -8.75 -0.07 0
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147766 53787424 1 OS2N3C14H17 AB2C3D14E17 32.72 3.36 -8.65 -0.52 0
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147767 53787425 1 N2C17H26 A2B17C26 6.49 2.88 -8.4 0.59 0
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147768 53787426 1 NOSC22H27 ABCD22E27 -8.04 4.11 -9.26 -0.35 0
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147769 53787427 1 O5C29H34 A5B29C34 -153.43 5.39 -8.82 -0.47 0
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147770 53787428 2 NOC3H8 ABC3D8 -101.98 3.42 -9.31 2.08 0
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147771 53787429 1 S3O4N8H12C13 A3B4C8D12E13 24.35 4.37 -9.47 -1.44 0
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147772 53787430 1 SN3O6C25H29 AB3C6D25E29 -183.01 7.11 -8.77 -0.48 0