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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161666 57392284 1 NO2H19C23 AB2C19D23 -7.58 3.52 -9.32 -0.1 0
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161667 57392285 1 NO2H21C24 AB2C21D24 -12.54 3.37 -8.71 -0.07 0
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161668 57392289 1 FN7C22H28 AB7C22D28 22.36 3.88 -8.24 -0.47 0
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161671 57392295 1 FN3O3H28C30 AB3C3D28E30 -19.51 5.26 -8.53 -1.33 0
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161672 57392296 1 N3O3H25C28 A3B3C25D28 58.43 11.06 -8.44 -2.56 0
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161673 57392299 1 FN3O3S3C19H22 AB3C3D3E19F22 -120.94 3.45 -8.91 -1.13 0
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161674 57392302 1 BrCl2O2N4C29H33 AB2C2D4E29F33 -22.68 7.67 -8.13 -1.36 0
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161676 57392305 1 SN3O3C15H15 AB3C3D15E15 13.51 10.75 -8.91 -1.41 0
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161677 57392306 1 OSN2C16H18 ABC2D16E18 14.07 5.61 -8.68 -0.68 0
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161678 57392308 1 NO3C15H31 AB3C15D31 -183.33 2.12 -9.48 1.75 0
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161679 57392311 1 N5C17H19 A5B17C19 67.78 8.47 -8.78 -0.68 0
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161680 57392312 5 NC3H3 AB3C3 101.53 6.42 -8.87 -0.77 0
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161682 57392318 1 ClNO3C20H24 ABC3D20E24 -112.06 3.03 -9.18 -0.65 0
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161683 57392319 1 N7O7C33H43 A7B7C33D43 -287.94 5.26 -9.21 -0.18 0
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161684 57392321 1 FSO2N4H15C20 ABC2D4E15F20 -13.83 4.25 -8.74 -1.03 0
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161685 57392326 1 ClN2O5H13C17 AB2C5D13E17 -51.84 4.18 -9.46 -1.82 0
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161686 57392328 1 BrNO3H18C19 ABC3D18E19 -65.19 6.94 -8.9 -1.01 0
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161687 57392329 1 ClNO4H20C25 ABC4D20E25 -72.46 3.05 -9.6 -1.28 0
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161689 57392337 1 INC25H42 ABC25D42 36.86 49.15 -4.71 -2.35 1
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161690 57392338 1 NC25H42 AB25C42 -6.09 1.49 0.0 0.0 0
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161691 57392339 1 SO2N4C16H18 AB2C4D16E18 -30.45 3.85 -8.82 -0.59 0
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161692 57392343 1 N3O3C16H17 A3B3C16D17 -20.0 5.02 -9.43 -1.11 0
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161693 57392344 1 O2N3H17C19 A2B3C17D19 -15.15 2.56 -8.84 -0.83 0
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161694 57392347 1 ClSO4N5C18H22 ABC4D5E18F22 -122.77 8.98 -9.3 -0.84 0
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161695 57392357 1 O2N3C18H25 A2B3C18D25 -52.75 6.72 -8.52 -0.36 0
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161696 57392362 1 SN2O4H26C29 AB2C4D26E29 -48.82 7.51 -8.61 -0.58 0
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161697 57392364 1 ClSN3O6H24C29 ABC3D6E24F29 -66.97 4.5 -8.7 -1.52 0
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161698 57392370 1 N2O5H18C19 A2B5C18D19 -115.09 6.62 -8.8 -0.87 0
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161699 57392372 2 NOC11H13 ABC11D13 -23.48 6.45 -8.35 -0.06 0
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161700 57392373 2 NOC15H15 ABC15D15 -3.55 6.38 -8.36 -0.12 0
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161701 57392374 2 NOC12H13 ABC12D13 10.68 8.4 -6.7 -0.18 0
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161702 57392375 2 NOC13H17 ABC13D17 -63.23 6.62 -8.25 0.01 0
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161703 57392377 2 NOH14C15 ABC14D15 21.12 7.14 -8.43 -0.15 0
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161704 57392380 1 SN5O5C23H31 AB5C5D23E31 -156.97 8.3 -9.12 -1.1 0
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161705 57392381 1 ClO4H25C28 AB4C25D28 -54.12 7.3 -8.55 -0.64 0
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161706 57392382 1 FO4H25C28 AB4C25D28 -93.61 4.78 -8.58 -0.73 0
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161707 57392384 1 BrO4H25C28 AB4C25D28 -43.46 4.82 -8.57 -0.75 0
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161708 57392386 4 NO2H3C4 AB2C3D4 -42.71 6.96 -10.36 -2.22 0
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161709 57392399 1 S2N3O3H27C29 A2B3C3D27E29 -28.98 5.73 -8.93 -1.73 0
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161710 57392400 1 SN3O5C27H31 AB3C5D27E31 -186.76 3.75 -8.84 -1.52 0
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161711 57392401 2 NC9H15 AB9C15 -20.33 1.52 -8.26 1.4 0
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161712 57392404 1 ClSO2N3C16H24 ABC2D3E16F24 -112.91 6.61 -9.14 -1.09 0
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161713 57392408 1 ClO2N7C23H34 AB2C7D23E34 -69.71 9.17 -9.29 -0.9 0
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161714 57392410 1 ClON5C20H22 ABC5D20E22 8.02 5.41 -8.65 -0.9 0
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161715 57392411 1 ON5C20H21 AB5C20D21 42.22 5.15 -8.68 -0.94 0
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161716 57392412 1 ON5C22H27 AB5C22D27 34.63 1.68 -8.66 -0.8 0
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161717 57392413 1 ON5C21H27 AB5C21D27 34.38 2.24 -8.65 -0.82 0
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161718 57392414 1 ON5C21H23 AB5C21D23 39.45 1.89 -8.74 -0.97 0
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161719 57392419 1 N2F3O4H15C20 A2B3C4D15E20 -223.17 10.66 -9.26 -1.2 0
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161721 57392423 1 O2N3H13C16 A2B3C13D16 15.94 3.03 -9.41 -1.2 0
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161722 57392428 1 N4O17C63H100 A4B17C63D100 -776.34 10.81 -8.57 -0.76 0
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161723 57392442 1 ClON3C28H32 ABC3D28E32 -8.0 4.73 -9.2 -0.25 0
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161725 57392453 1 SN6O9C34H50 AB6C9D34E50 -406.94 4.23 -8.98 -0.46 0
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161726 57392454 1 SN6O8C31H52 AB6C8D31E52 -407.4 10.18 -9.26 -0.28 0
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161727 57392456 2 ON2H9C11 AB2C9D11 17.66 1.97 -8.91 -0.77 0
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161728 57392457 1 BrF2S3N5O7H22C28 AB2C3D5E7F22G28 -205.71 5.88 -9.31 -1.44 1
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161729 57392462 1 SN2O2C29H41 AB2C2D29E41 -33.67 2.23 0.0 0.0 0
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161730 57392468 1 SF2N2O7H22C24 AB2C2D7E22F24 -281.74 5.38 -8.97 -1.18 0
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161731 57392470 1 ClN2O8H23C24 AB2C8D23E24 -238.9 6.21 -8.72 -0.97 0
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161732 57392471 1 ON3C18H25 AB3C18D25 -9.0 3.02 -8.46 0.0 0
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161733 57392474 1 FSO3N7C27H32 ABC3D7E27F32 -44.28 3.81 -8.45 -0.97 0
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161734 57392475 1 FO2N6C26H29 AB2C6D26E29 1.91 3.94 -8.69 -1.09 0
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161736 57392482 1 FN2O2H17C24 AB2C2D17E24 7.75 5.57 -8.98 -0.99 0
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161738 57392492 1 OF2N2C30H32 AB2C2D30E32 -77.92 3.61 -9.01 -0.24 0
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161740 57392503 1 O2N5C22H37 A2B5C22D37 -98.28 1.72 -8.79 -0.08 0
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161741 57392504 1 SF2N5O5C21H27 AB2C5D5E21F27 -275.39 6.42 -9.77 -1.1 0
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161742 57392507 1 SCl2N4O5C26H34 AB2C4D5E26F34 -210.77 3.53 -8.94 -0.94 0
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161744 57392517 1 O2F3N5C24H26 A2B3C5D24E26 -178.24 4.36 -8.32 -0.66 1
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161745 57392520 1 O3N5C27H36 A3B5C27D36 -45.83 6.78 0.0 0.0 0
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161747 57392525 1 N16O33C83H108 A16B33C83D108 -1475.1 17.91 -9.03 -0.68 0
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161748 57392534 1 N14O29C75H96 A14B29C75D96 -1287.81 20.5 -8.6 -0.8 0
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161749 57392536 1 N2O3C20H20 A2B3C20D20 -70.17 5.02 -8.79 -1.44 0
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161750 57392539 1 Cl2O2N5C13H15 A2B2C5D13E15 -34.63 4.91 -9.38 -0.53 0
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161751 57392542 1 S2F4N4O5H16C24 A2B4C4D5E16F24 -311.86 5.28 -9.17 -1.46 0
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161752 57392543 1 BrON3H10C15 ABC3D10E15 66.26 5.46 -9.0 -1.19 0
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161753 57392547 1 FO2N4C30H31 AB2C4D30E31 -52.58 3.7 -8.77 -0.85 0
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161754 57392548 1 O2N4C33H38 A2B4C33D38 -23.49 1.14 -8.36 -0.64 0
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161757 57392555 1 F2N2O3H10C16 A2B2C3D10E16 -146.02 4.22 -8.93 -1.31 1
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161758 57392558 1 SN2H31C32 AB2C31D32 110.92 1.68 0.0 0.0 0
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161760 57392569 1 ClO2N5H16C21 AB2C5D16E21 37.39 3.93 -8.8 -1.36 0
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161761 57392572 1 SN2O7C21H22 AB2C7D21E22 -217.92 6.26 -8.74 -1.04 0
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161764 57392578 1 ClSN2O2C27H36 ABC2D2E27F36 -30.02 1.54 0.0 0.0 0
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161765 57392579 1 BrSN4C20H29 ABC4D20E29 24.37 5.98 -8.85 0.16 0
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161767 57392591 1 ClFSO3N4C30H30 ABCD3E4F30G30 -62.2 5.62 -8.6 -0.48 0
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161768 57392594 1 O4N5C19H19 A4B5C19D19 -83.98 1.67 -8.86 -0.92 0
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161769 57392597 1 N2O3C12H14 A2B3C12D14 -109.49 9.53 -9.43 -0.76 0
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161772 57392604 1 NO17C43H75 AB17C43D75 -870.97 5.07 -9.69 0.46 0
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161773 57392606 1 BrFN5O5H13C15 ABC5D5E13F15 -66.85 3.5 -9.83 -1.72 0
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161774 57392607 1 N5O6C27H31 A5B6C27D31 -159.59 3.66 -8.94 -0.57 0
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161775 57392613 1 ClSN2O2H19C20 ABC2D2E19F20 74.73 8.54 -8.42 -0.63 0
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161778 57392629 1 ClSN3O3H22C23 ABC3D3E22F23 -62.91 6.62 -8.65 -1.08 0
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161780 57392643 1 Cl3N4O6C34H37 A3B4C6D34E37 -187.03 8.1 -8.6 -0.5 0
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161783 57392652 1 FSO2N3H24C26 ABC2D3E24F26 -27.02 2.17 -9.25 -1.31 0
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161785 57392658 1 NO3C28H29 AB3C28D29 -76.18 3.67 -9.18 -0.34 0
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161786 57392662 1 ClN2C34H45 AB2C34D45 -16.18 4.67 -8.52 0.23 0
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161787 57392663 2 NC17H22 AB17C22 22.91 0.82 -8.34 0.39 0
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161789 57392674 1 ClO2F3N5H29C30 AB2C3D5E29F30 -164.59 11.15 -8.89 -1.16 0
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161790 57392677 1 ON7H27C28 AB7C27D28 113.02 2.02 -8.38 -0.92 0
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161791 57392685 1 PN5O8C11H16 AB5C8D11E16 -323.28 11.92 -9.47 -0.78 0
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161792 57392688 1 FN2O2C21H29 AB2C2D21E29 -129.11 2.9 -7.97 0.03 0