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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28423 827479 1 N3H17C20 A3B17C20 81.96 1.42 -8.08 -0.94 0
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28424 827480 1 NO3H13C17 AB3C13D17 -12.67 2.28 -9.69 -1.09 0
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28425 827494 1 O2H18C19 A2B18C19 -22.25 1.96 -9.32 0.12 0
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28426 827498 1 NO3H9C11 AB3C9D11 -28.73 0.93 -9.64 -1.1 0
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28427 827521 1 NO4C15H15 AB4C15D15 -123.9 6.6 -9.45 -0.69 0
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28428 827528 1 N2O3H18C19 A2B3C18D19 -37.37 5.96 -8.73 -0.72 2
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28429 827543 2 NSC9H13 ABC9D13 116.22 0.71 -5.28 0.29 0
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28430 827548 1 NSO4H7C11 ABC4D7E11 -35.7 0.76 -10.2 -2.15 0
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28431 827551 1 NO4C20H23 AB4C20D23 -148.17 6.24 -9.01 -0.37 0
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28432 827561 2 NO2C7H8 AB2C7D8 -114.11 3.17 -9.67 -0.48 0
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28433 827563 1 N2S2C11H12 A2B2C11D12 72.5 6.19 -8.52 -0.69 0
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28434 827581 1 NO2C15H19 AB2C15D19 -53.16 2.99 -8.71 0.0 0
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28435 827583 1 NOC15H19 ABC15D19 -21.6 4.01 -9.63 0.0 0
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28436 827587 1 ON4H12C13 AB4C12D13 54.48 4.41 -8.19 -1.37 0
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28437 827589 1 SN2O2C14H16 AB2C2D14E16 -46.61 5.63 -8.76 -0.6 1
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28438 827593 1 NO3C14H22 AB3C14D22 -71.62 2.45 0.0 0.0 0
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28439 827598 1 ON3H15C17 AB3C15D17 44.69 3.71 -8.72 -0.66 0
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28440 827615 1 NO3H13C22 AB3C13D22 37.25 4.67 -9.33 -2.12 0
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28441 827619 2 NOC11H11 ABC11D11 -2.75 0.6 -9.19 -0.66 0
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28442 827622 1 ON2C20H22 AB2C20D22 -5.02 5.61 -8.69 -0.31 0
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28443 827627 1 NO2H21C22 AB2C21D22 -27.46 3.27 -8.67 -0.12 0
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28444 827631 1 ClO3N4H13C16 AB3C4D13E16 -48.59 7.13 -9.4 -0.98 0
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28445 827650 1 N3C22H23 A3B22C23 80.44 3.03 -8.17 -0.19 0
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28446 827652 1 N2O3C12H18 A2B3C12D18 -51.29 5.01 -9.18 -1.4 0
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28447 827693 1 ClSN2O2H13C14 ABC2D2E13F14 -0.12 3.37 -8.92 -0.82 0
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28448 827696 1 SN2O3C16H16 AB2C3D16E16 -34.17 4.78 -9.16 -0.8 0
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28449 827700 1 ClON2F3H8C13 ABC2D3E8F13 -150.03 0.94 -9.82 -1.21 0
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28450 827702 1 NSO3H17C18 ABC3D17E18 -50.63 3.35 -8.44 -1.17 0
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28451 827703 1 N2O2C21H24 A2B2C21D24 -41.11 2.74 -8.38 0.32 0
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28452 827705 1 N2O3C19H24 A2B3C19D24 -72.89 5.65 -8.77 -0.51 0
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28453 827707 1 ON3H15C23 AB3C15D23 114.74 4.58 -9.6 -1.16 0
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28454 827713 1 NSO3C19H23 ABC3D19E23 -121.59 5.7 -8.66 -0.82 0
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28455 827721 1 NO2C22H29 AB2C22D29 -58.31 4.03 -8.19 0.14 0
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28456 827726 1 ClN2O3H13C17 AB2C3D13E17 -87.09 8.14 -8.85 -0.78 0
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28457 827729 1 ON2C16H18 AB2C16D18 7.74 5.5 -9.1 -0.75 0
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28458 827734 1 NO4H17C21 AB4C17D21 -20.42 4.06 -8.89 -1.63 0
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28459 827736 1 ON2C19H20 AB2C19D20 9.56 4.07 -8.16 -0.26 0
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28460 827740 1 O3H18C20 A3B18C20 -67.54 4.87 -9.62 -1.3 0
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28461 827744 1 FNO2C12H14 ABC2D12E14 -117.29 4.71 -9.68 -0.49 0
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28462 827745 1 FNO2C12H14 ABC2D12E14 -117.24 3.28 -9.65 -0.53 0
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28463 827748 1 N3O3C13H15 A3B3C13D15 -79.2 2.9 -8.53 -0.18 0
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28464 827750 1 NO4H11C19 AB4C11D19 11.53 9.28 -9.27 -1.87 0
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28465 827753 1 NO4H15C21 AB4C15D21 -7.09 9.29 -9.08 -1.79 0
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28466 827773 1 NO2C16H17 AB2C16D17 -30.47 1.96 -8.2 -0.14 0
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28467 827782 1 OSN4H12C17 ABC4D12E17 99.77 3.59 -9.16 -1.25 0
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28468 827784 1 N2O2H18C19 A2B2C18D19 8.63 5.48 -8.3 -0.77 0
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28469 827785 1 NSO3C18H21 ABC3D18E21 -109.3 7.96 -9.45 -0.91 0
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28470 827786 1 FNSO2H10C15 ABCD2E10F15 -56.93 2.91 -8.82 -1.5 0
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28471 827788 1 SO5H10C15 AB5C10D15 -133.83 8.69 -9.17 -0.98 0
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28472 827793 1 BrO3H7C10 AB3C7D10 -49.28 4.08 -9.08 -1.34 0
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28473 827798 1 NSO3C19H23 ABC3D19E23 -122.65 3.32 -8.63 -0.77 0
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28474 827816 1 N2O4C17H18 A2B4C17D18 -113.97 3.91 -9.35 -0.48 0
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28475 827817 2 NO2C9H9 AB2C9D9 -88.37 3.94 -9.32 -0.44 0
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28476 827830 1 FON3H16C20 ABC3D16E20 16.62 3.99 -8.56 -1.12 0
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28477 827834 1 ON2C18H20 AB2C18D20 -5.15 3.15 -8.28 -0.17 0
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28478 827850 1 NO3C21H23 AB3C21D23 -89.32 4.58 -8.33 -0.2 0
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28479 827861 1 NO3C22H23 AB3C22D23 -83.23 2.47 -8.57 -0.39 0
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28480 827863 1 NSO2H13C19 ABC2D13E19 6.09 3.01 -8.94 -1.48 0
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28481 827877 1 O2N3H13C18 A2B3C13D18 30.99 2.37 -9.13 -1.03 0
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28482 827894 1 O2N3C17H17 A2B3C17D17 -5.89 1.65 -8.97 -0.93 0
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28483 827895 1 N3O4H15C18 A3B4C15D18 -67.53 4.2 -9.15 -1.17 0
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28484 827897 1 O2N3C9H9 A2B3C9D9 -67.85 9.82 -9.65 -1.3 0
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28485 827918 1 SN3C10H13 AB3C10D13 43.91 5.54 -8.13 -0.5 0
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28486 827921 1 N3H15C16 A3B15C16 97.05 2.74 -8.64 -0.9 0
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28487 827923 1 N2O2H14C21 A2B2C14D21 66.72 6.62 -9.44 -1.34 0
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28488 827947 1 NO2C19H27 AB2C19D27 -104.6 4.99 -9.08 -0.5 0
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28489 827952 1 ClSO2C15H15 ABC2D15E15 -67.55 5.41 -9.62 -0.67 0
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28490 827969 1 N2O3H18C19 A2B3C18D19 -97.3 0.85 -8.86 -0.7 0
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28491 827971 1 SO2C16H18 AB2C16D18 -64.94 5.97 -9.22 -0.18 0
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28492 827973 1 N2O3C20H20 A2B3C20D20 -84.42 9.04 -7.86 -0.82 0
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28493 827974 2 NC8H12 AB8C12 9.91 2.56 -8.79 -0.17 0
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28494 827975 1 ClNOC9H16 ABCD9E16 -80.21 3.81 -9.32 0.01 0
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28495 827976 1 ON2H10C12 AB2C10D12 36.7 2.98 -8.65 -0.63 0
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28496 827977 1 NO5H13C19 AB5C13D19 -126.12 1.75 -8.8 -1.29 0
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28497 827978 1 N2O4H18C19 A2B4C18D19 -127.18 1.32 -8.59 -0.69 0
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28498 827979 1 BrClNO2H5C7 ABCD2E5F7 -70.5 2.52 -9.19 -1.26 0
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28499 827980 1 N3O3H17C19 A3B3C17D19 -66.01 1.75 -8.4 -0.67 0
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28500 827981 1 INSH4C7 ABCD4E7 72.97 2.02 -9.28 -1.69 0
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28501 827982 1 N2O2C17H18 A2B2C17D18 -25.44 4.9 -9.16 -0.42 0
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28502 827984 1 N3O3C19H19 A3B3C19D19 -73.34 9.13 -7.59 -0.79 0
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28503 827995 1 ON3C14H17 AB3C14D17 14.4 3.39 -8.5 -0.43 0
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28504 827996 1 ON4C20H20 AB4C20D20 38.4 2.16 -8.2 -0.34 0
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28505 828000 1 BrON2H11C14 ABC2D11E14 43.38 0.4 -8.47 -0.97 0
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28506 828002 1 FON2H15C19 ABC2D15E19 -17.44 4.3 -8.75 -0.36 0
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28507 828011 1 O5C12H14 A5B12C14 -188.86 7.45 -8.94 -0.88 0
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28508 828013 1 ON3C18H19 AB3C18D19 16.44 3.96 -8.01 -0.27 0
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28509 828014 1 N3C19H21 A3B19C21 37.32 3.12 -8.02 -0.26 0
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28510 828025 1 ON2C21H22 AB2C21D22 2.02 5.12 -8.86 -0.77 0
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28511 828026 1 N3O4H13C15 A3B4C13D15 3.83 5.22 -9.03 -2.28 0
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28512 828027 1 N2O3H14C15 A2B3C14D15 6.93 6.09 -8.69 -1.44 0
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28513 828028 1 ON2C19H22 AB2C19D22 33.95 1.16 -9.05 0.1 0
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28514 828031 1 O2N4H18C19 A2B4C18D19 34.84 4.22 -8.44 -1.02 0
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28515 828032 1 O3N5C14H17 A3B5C14D17 45.55 7.63 -8.54 -1.32 0
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28516 828042 1 FN4C15H19 AB4C15D19 11.23 1.67 -8.33 -0.65 0
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28517 828048 1 N2O3H18C21 A2B3C18D21 -17.76 5.18 -8.69 -0.82 0
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28518 828052 1 O2N3C19H19 A2B3C19D19 4.03 5.45 -8.35 -0.34 0
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28519 828064 1 O2N4H18C19 A2B4C18D19 0.06 3.26 -8.9 -0.94 0
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28520 828082 1 OSN2H16C21 ABC2D16E21 47.08 5.3 -8.2 -0.95 0
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28521 828087 1 ON4C20H24 AB4C20D24 32.71 4.44 -8.9 -0.09 0
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28522 828103 1 NO3H19C22 AB3C19D22 -49.25 6.84 -8.63 -1.3 0