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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
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41503 8146001 1 N3O4C22H29 A3B4C22D29 -170.48 3.9 -9.08 -0.05 0
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41504 8146003 1 ClO2N3C10H10 AB2C3D10E10 -27.98 1.62 -9.57 -0.83 1
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41505 8146004 1 N3O4C22H30 A3B4C22D30 -150.29 4.13 0.0 0.0 0
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41506 8146005 1 N3O4C22H29 A3B4C22D29 -171.44 2.17 -8.96 0.02 0
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41507 8146031 1 FON2H19C28 ABC2D19E28 48.78 3.46 -8.41 -1.1 0
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41508 8146033 1 N2O7C18H30 A2B7C18D30 -329.22 4.69 -9.13 0.2 1
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41509 8146037 1 O2S2N4C19H27 A2B2C4D19E27 -39.6 14.77 0.0 0.0 0
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41510 8146038 1 O2S2N4C19H26 A2B2C4D19E26 -28.01 4.8 -8.29 -0.9 0
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41511 8146039 1 ClS2N3H10C14 AB2C3D10E14 105.24 1.71 -8.32 -1.8 0
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41512 8146046 1 ClN2O4C17H19 AB2C4D17E19 -137.21 4.37 -9.21 -1.59 -1
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41513 8146047 1 ON7C12H14 AB7C12D14 129.04 14.13 0.0 0.0 0
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41514 8146057 1 ClON5H10C15 ABC5D10E15 88.23 3.72 -9.68 -1.24 0
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41515 8146058 1 NCl2O2S2H11C18 AB2C2D2E11F18 -3.77 4.67 -9.13 -1.49 0
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41516 8146060 1 O2S2N4C19H26 A2B2C4D19E26 -30.68 5.37 -8.26 -0.93 0
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41517 8146061 1 ClOSF2N2H9C15 ABCD2E2F9G15 -73.55 4.24 -9.57 -1.27 1
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41518 8146074 1 O2S2N4C20H29 A2B2C4D20E29 -40.13 12.12 0.0 0.0 0
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41519 8146078 1 OF2N2S3H12C18 AB2C2D3E12F18 -46.57 2.25 -8.75 -1.3 1
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41520 8146083 1 SN3O5C19H26 AB3C5D19E26 -121.18 9.39 0.0 0.0 1
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41521 8146093 1 S2O3N4C18H25 A2B3C4D18E25 -58.95 13.9 0.0 0.0 0
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41522 8146114 1 SO2N4C19H26 AB2C4D19E26 -37.63 4.3 -8.18 -0.23 0
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41523 8146119 1 FON3H18C19 ABC3D18E19 2.96 5.56 -9.22 -0.6 0
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41524 8146124 1 S2O3N4C18H24 A2B3C4D18E24 -51.59 4.45 -8.23 -0.94 0
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41525 8146137 1 O2N3C19H21 A2B3C19D21 -30.48 3.8 -9.03 -0.24 0
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41526 8146144 1 SO2N4C20H24 AB2C4D20E24 -17.74 4.45 -8.22 -0.97 0
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41527 8146147 1 SO2N4C20H24 AB2C4D20E24 -16.62 2.61 -8.19 -0.94 1
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41528 8146151 1 SO2N4C15H21 AB2C4D15E21 -8.47 5.5 0.0 0.0 0
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41529 8146158 1 OF3N4H9C14 AB3C4D9E14 -67.58 4.52 -9.59 -1.02 0
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41530 8146161 1 IO2N3C13H16 AB2C3D13E16 -37.24 1.55 -9.29 -0.91 0
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41531 8146162 1 O2N3C17H19 A2B3C17D19 -39.76 6.74 -8.72 -0.57 0
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41532 8146166 1 FON3C20H20 ABC3D20E20 -4.18 5.66 -9.21 -0.62 0
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41533 8146170 1 SO2N4C18H24 AB2C4D18E24 -25.25 4.34 -8.26 -0.61 1
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41534 8146171 1 SO2N4C18H25 AB2C4D18E25 -9.87 6.15 0.0 0.0 0
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41535 8146172 1 SO2N4C18H24 AB2C4D18E24 -23.34 5.04 -8.24 -0.52 0
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41536 8146173 1 SO3N5C18H19 AB3C5D18E19 -16.72 4.77 -9.42 -0.9 1
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41537 8146180 1 O2S2N4C19H27 A2B2C4D19E27 -38.54 14.34 0.0 0.0 1
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41538 8146183 1 SO2N5C16H24 AB2C5D16E24 -17.98 9.71 0.0 0.0 0
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41539 8146186 1 FSO2N3H18C21 ABC2D3E18F21 -11.6 2.96 -8.62 -1.16 1
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41540 8146202 1 SO2N5C18H26 AB2C5D18E26 11.7 4.82 0.0 0.0 0
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41541 8146210 1 ON4C18H20 AB4C18D20 42.07 0.7 -8.9 -0.84 0
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41542 8146214 1 FSN3O3C17H20 ABC3D3E17F20 -108.48 3.91 -8.84 -1.14 0
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41543 8146215 2 NOC6H8 ABC6D8 -9.05 8.86 -8.86 -0.74 1
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41544 8146222 1 SO2N5C18H26 AB2C5D18E26 5.33 4.71 0.0 0.0 1
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41545 8146225 1 N3O4C20H28 A3B4C20D28 -142.93 11.0 0.0 0.0 0
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41546 8146232 2 NOSH10C11 ABCD10E11 -10.39 4.17 -8.6 -0.95 0
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41547 8146234 1 N3O4C18H29 A3B4C18D29 -207.18 2.1 -8.94 0.4 0
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41548 8146244 1 N2S2O4C19H20 A2B2C4D19E20 -130.63 2.84 -9.02 -1.37 0
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41549 8146247 1 OSN4H16C20 ABC4D16E20 90.94 3.11 -8.8 -0.75 1
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41550 8146249 1 SN3O4C18H24 AB3C4D18E24 -89.24 5.43 0.0 0.0 0
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41551 8146250 1 SN3O4C18H23 AB3C4D18E23 -103.07 3.95 -8.61 -0.8 0
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41552 8146254 1 N2O2H16C17 A2B2C16D17 61.02 7.37 -8.91 -1.59 0