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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41453 8145910 1 N2O3C23H32 A2B3C23D32 -9.33 6.5 -4.21 -0.06 0
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41454 8145914 1 NOSH19C25 ABCD19E25 58.4 5.42 -8.59 -0.73 2
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41455 8145915 1 ClN3O4C21H22 AB3C4D21E22 -7.52 5.49 -8.1 -1.36 0
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41456 8145916 1 ClN3O4H20C21 AB3C4D20E21 -70.03 5.16 -8.76 -1.57 0
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41457 8145917 1 BrN2O2H17C21 AB2C2D17E21 31.58 5.4 -9.11 -0.65 2
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41458 8145918 1 FN3O4C21H22 AB3C4D21E22 -37.98 4.9 -7.55 -1.58 2
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41459 8145920 1 O2S2N5C19H23 A2B2C5D19E23 61.18 3.67 -7.83 -0.9 0
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41460 8145921 1 O2S2N5C19H21 A2B2C5D19E21 64.9 6.66 -8.41 -1.54 2
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41461 8145922 1 SO2N6C20H26 AB2C6D20E26 44.49 5.81 -8.57 -1.16 0
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41462 8145924 1 OSF2N4H12C15 ABC2D4E12F15 -38.49 4.21 -9.44 -1.04 2
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41463 8145925 2 N2O2C11H16 A2B2C11D16 -67.96 4.36 -6.78 -0.07 0
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41464 8145926 2 N2O2C11H15 A2B2C11D15 -136.37 3.62 -8.63 0.02 2
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41465 8145927 2 N2O2C11H16 A2B2C11D16 -125.32 4.65 -8.71 -0.07 0
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41466 8145928 2 N2O2C11H15 A2B2C11D15 -131.31 3.49 -8.64 0.0 0
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41467 8145929 1 BrO2N3C13H16 AB2C3D13E16 -33.16 1.87 -9.75 -0.76 2
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41468 8145930 2 N2O2C11H17 A2B2C11D17 -104.17 10.84 -6.16 -0.85 0
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41469 8145931 2 N2O2C11H16 A2B2C11D16 -153.75 2.5 -8.64 -0.06 1
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41470 8145932 1 SO2N3H18C22 AB2C3D18E22 73.77 7.59 0.0 0.0 0
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41471 8145933 1 SO2N3H17C22 AB2C3D17E22 59.0 7.91 -9.07 -0.99 0
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41472 8145934 1 SO3N4H18C21 AB3C4D18E21 -3.36 4.37 -8.95 -1.06 2
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41473 8145935 2 N2O2C11H17 A2B2C11D17 -79.41 4.69 -7.4 0.01 0
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41474 8145936 2 N2O2C11H16 A2B2C11D16 -146.27 2.39 -8.64 -0.01 0
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41475 8145938 1 ClO2N3C19H20 AB2C3D19E20 -42.35 10.1 -8.59 -0.49 1
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41476 8145941 1 SO2N3H18C22 AB2C3D18E22 73.41 8.48 0.0 0.0 2
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41477 8145943 2 N2O2C11H16 A2B2C11D16 -129.93 4.48 -8.7 -0.05 0
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41478 8145944 2 N2O2C11H15 A2B2C11D15 -140.9 3.43 -8.52 0.1 0
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41479 8145945 1 FO2N3H14C16 AB2C3D14E16 -47.57 4.02 -9.14 -0.86 0
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41480 8145946 1 ClFON4H10C14 ABCD4E10F14 9.18 4.03 -9.32 -1.01 2
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41481 8145947 2 N2O2C11H16 A2B2C11D16 -132.2 5.5 -8.57 0.06 0
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41482 8145950 2 N2O2C11H15 A2B2C11D15 -141.43 3.39 -8.56 -0.01 2
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41483 8145952 1 N3O4C21H29 A3B4C21D29 -76.15 4.6 -7.2 -0.04 2
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41484 8145954 1 N3O4C21H29 A3B4C21D29 -125.88 5.09 -8.52 -0.13 0
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41485 8145955 1 N3O4C21H27 A3B4C21D27 -135.35 2.87 -8.52 0.06 0
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41486 8145956 1 ON4C15H20 AB4C15D20 14.63 3.12 -9.29 -0.59 0
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41487 8145958 1 N3O4C21H27 A3B4C21D27 -135.66 2.82 -8.52 0.08 2
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41488 8145959 1 SO2N5C21H25 AB2C5D21E25 61.65 10.38 -8.23 -1.14 0
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41489 8145963 1 SO2N5C22H25 AB2C5D22E25 45.32 8.79 -8.37 -1.26 0
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41490 8145964 1 Cl2N3H17C23 A2B3C17D23 116.29 1.48 -8.96 -1.21 2
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41491 8145965 2 NO2C12H14 AB2C12D14 -9.78 6.2 -6.46 -0.55 2
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41492 8145967 1 N2O4C23H30 A2B4C23D30 -10.01 4.05 -4.19 -0.2 0
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41493 8145968 1 N2O4C23H28 A2B4C23D28 -88.18 3.48 -8.29 0.15 0
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41494 8145969 1 O2N3H19C27 A2B3C19D27 62.48 2.61 -8.64 -1.32 1
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41495 8145970 1 ClSO2N4C17H22 ABC2D4E17F22 -14.67 5.91 0.0 0.0 0
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41496 8145971 1 ClSO2N4C17H21 ABC2D4E17F21 -27.68 2.95 -8.55 -0.79 0
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41497 8145979 1 FO2N3H14C19 AB2C3D14E19 -20.86 3.71 -8.86 -0.99 0
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41498 8145987 1 ClO2N3C10H10 AB2C3D10E10 -27.37 3.62 -9.64 -0.78 1
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41499 8145989 1 SO2N4C19H27 AB2C4D19E27 -23.2 4.26 0.0 0.0 0
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41500 8145996 1 N3O4C15H25 A3B4C15D25 -199.33 1.27 -9.26 0.12 0
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41501 8145999 1 O2F3N4H11C15 A2B3C4D11E15 -139.18 3.95 -9.29 -1.0 1
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41502 8146000 1 N3O4C22H30 A3B4C22D30 -153.21 3.82 0.0 0.0 0