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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441453 135234707 1 FO2N5H24C27 AB2C5D24E27 18.46 3.41 -8.52 -0.62 0
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441454 135234716 1 O2N5C17H25 A2B5C17D25 -29.59 8.74 -8.77 -0.33 0
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441455 135234821 1 N2O4C41H78 A2B4C41D78 -315.21 5.1 -8.96 0.82 0
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441456 135234922 1 N5O25C40H67 A5B25C40D67 -1143.64 6.47 -8.96 -0.4 0
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441457 135234937 1 FPN3O8C22H25 ABC3D8E22F25 -393.68 6.33 -9.35 -0.67 0
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441458 135234942 1 F2Cl4C31H34 A2B4C31D34 -109.77 4.18 -9.31 -0.56 0
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441459 135234943 1 O2S2N4H12C15 A2B2C4D12E15 8.92 6.04 -8.52 -1.22 0
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441460 135234946 1 ON3C8H19 AB3C8D19 -12.58 3.02 -9.02 1.07 0
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441461 135234947 1 P5O15C34H71 A5B15C34D71 -1003.34 1.87 -9.29 0.53 0
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441462 135235055 1 NO2F4C33H33 AB2C4D33E33 -164.75 6.19 -8.87 -0.3 0
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441463 135235060 1 NO2F4H13C21 AB2C4D13E21 -169.36 10.55 -9.71 -1.07 0
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441464 135235062 1 NPF4O4H34C37 ABC4D4E34F37 -267.7 2.78 -9.33 -0.84 0
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441465 135235063 3 F2C5H6 A2B5C6 -338.18 4.18 -10.38 -1.09 0
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441466 135235064 1 O4C19H24 A4B19C24 -168.57 9.55 -9.04 -0.68 0
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441467 135235065 1 FC15H17 AB15C17 -19.02 1.22 -9.15 0.28 0
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441468 135235122 2 NH10C13 AB10C13 151.05 3.66 -8.56 -0.71 0
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441469 135235168 2 NC8H11 AB8C11 12.37 1.06 -7.82 -0.3 0
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441470 135235169 1 N4O8C21H28 A4B8C21D28 -329.73 5.39 -9.53 -1.21 0
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441471 135235170 1 O2F4H20C25 A2B4C20D25 -183.64 1.81 -8.76 -0.51 0
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441472 135235171 1 NF2O2H13C16 AB2C2D13E16 -115.57 2.25 -9.33 -0.63 0
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441473 135235172 1 FPN2O4H34C37 ABC2D4E34F37 -92.55 9.46 -9.23 -0.88 0
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441474 135235175 1 SN2C13H20 AB2C13D20 -2.59 2.74 -8.17 0.1 0
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441475 135235176 1 BrNOC14H22 ABCD14E22 -59.81 2.73 -8.07 0.32 0
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441476 135235182 1 SO2N5C21H25 AB2C5D21E25 -9.68 5.54 -9.22 -0.34 0
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441477 135235187 1 ClO3N7C28H34 AB3C7D28E34 -42.15 7.67 -8.64 -0.38 0
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441478 135235290 1 N3O5F7C20H24 A3B5C7D20E24 -557.62 8.27 -9.52 -0.98 0
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441479 135235291 1 O4N5C11H15 A4B5C11D15 -105.88 3.74 -9.33 -1.0 0
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441480 135235292 1 OSF3N5C19H22 ABC3D5E19F22 -102.21 9.17 -8.51 -1.12 0
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441481 135235293 1 N2C15H24 A2B15C24 -10.27 0.94 -7.61 0.68 0
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441482 135235295 1 O4N5C12H17 A4B5C12D17 -102.42 3.6 -9.17 -0.8 0
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441483 135235296 1 SC16H22 AB16C22 -15.94 2.36 -8.28 0.18 0
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441484 135235297 1 O3N4C26H28 A3B4C26D28 -53.82 2.87 -8.48 -0.09 0
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441485 135235299 1 SO2F3N5H18C20 AB2C3D5E18F20 -131.77 10.38 -9.52 -1.2 0
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441486 135235300 1 BrSO2F3N5C16H17 ABC2D3E5F16G17 -174.98 9.52 -9.63 -1.19 0
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441487 135235301 1 ClSO2F3N5H17C20 ABC2D3E5F17G20 -141.4 8.48 -9.63 -1.28 0
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441488 135235302 1 SO2F3N5C16H16 AB2C3D5E16F16 -141.21 9.91 -9.49 -1.22 0
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441489 135235303 1 NPF4H4C6 ABC4D4E6 -176.07 2.12 -9.79 -1.38 0
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441490 135235308 1 SO2F3N5C17H18 AB2C3D5E17F18 -150.65 10.0 -9.57 -1.21 0
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441492 135235410 1 ON2C15H32 AB2C15D32 -48.02 2.4 -8.43 2.38 0
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441493 135235411 1 ON2C9H20 AB2C9D20 -46.96 3.81 -8.02 1.16 0
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441494 135235412 1 O2N5C10H15 A2B5C10D15 -24.93 4.81 -9.08 -0.85 0
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441495 135235413 1 O3N5C11H15 A3B5C11D15 -68.88 2.83 -9.21 -0.82 0
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441496 135235414 1 SCl2O2F3N6H15C21 AB2C2D3E6F15G21 -112.16 7.81 -9.76 -1.8 0
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441497 135235415 1 SO2F3N5C17H20 AB2C3D5E17F20 -175.74 10.31 -9.5 -1.19 0
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441498 135235420 1 SO2F3N6H21C24 AB2C3D6E21F24 -86.0 8.58 -9.62 -1.3 0
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441499 135235421 1 OSF3N5C15H18 ABC3D5E15F18 -105.14 9.59 -8.86 -0.83 0
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441500 135235423 1 PN4C28H35 AB4C28D35 121.96 2.83 -8.69 -0.08 0
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441501 135235424 1 SO4N8C26H30 AB4C8D26E30 10.63 5.03 -9.28 -0.52 0
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441502 135235425 1 SO2N8C24H28 AB2C8D24E28 54.23 2.79 -9.18 -0.45 0
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441503 135235428 1 ClSO2F3N6H16C19 ABC2D3E6F16G19 -129.28 8.98 -9.57 -1.48 0
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441504 135235429 1 SO2F4N6H16C19 AB2C4D6E16F19 -166.44 9.53 -9.64 -1.4 0
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441505 135235430 1 SO2F4N6H16C19 AB2C4D6E16F19 -165.33 7.6 -9.72 -1.48 0
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441506 135235532 1 N3O3C23H29 A3B3C23D29 -56.92 5.38 -9.06 -0.71 0
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441507 135235535 1 N2O6C25H26 A2B6C25D26 -159.18 6.89 -9.47 -0.37 0
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441508 135235538 1 PN11O13C61H68 AB11C13D61E68 -365.67 10.39 -8.58 -1.08 0
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441509 135235544 1 O8C29H36 A8B29C36 -290.85 4.06 -8.32 -0.52 0
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441510 135235545 5 NOC5H5 ABC5D5 -42.48 6.43 -9.5 -0.58 0
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441511 135235546 1 O6N7C43H43 A6B7C43D43 -53.69 0.92 -8.93 -0.51 0
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441512 135235547 1 O3N6C22H22 A3B6C22D22 -7.75 6.22 -8.77 -0.8 0
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441513 135235548 1 N3O5C26H29 A3B5C26D29 -137.51 8.46 -9.31 -0.15 0
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441514 135235649 1 O4C29H58 A4B29C58 -310.01 9.34 -10.77 0.61 0
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441515 135235650 1 O3C29H56 A3B29C56 -260.02 4.88 -10.61 0.16 0
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441516 135235651 1 FO3N4C20H21 AB3C4D20E21 -57.84 3.36 -8.53 -0.3 0
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441517 135235652 1 SN2O5F6H14C20 AB2C5D6E14F20 -398.27 7.91 -9.43 -1.39 0
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441518 135235653 1 OC16H18 AB16C18 -11.55 0.94 -8.51 0.23 0
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441519 135235655 1 N2O3H20C21 A2B3C20D21 -39.55 5.82 -8.73 -0.56 0
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441520 135235656 1 BrN2O2H13C17 AB2C2D13E17 24.88 3.39 -9.19 -0.62 0
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441521 135235660 1 ClOF3N3H11C16 ABC3D3E11F16 -100.85 6.59 -9.25 -1.04 0
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441522 135235661 1 ON4H16C20 AB4C16D20 99.25 4.78 -9.07 -0.7 0
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441523 135235664 1 OF2N3H15C21 AB2C3D15E21 -25.9 5.99 -9.22 -1.13 0
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441524 135235666 1 OF3N3H12C20 AB3C3D12E20 -69.75 5.11 -9.36 -1.17 0
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441525 135235770 1 OF2N3H15C21 AB2C3D15E21 -25.75 4.16 -9.41 -1.01 0
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441526 135235771 1 ON2F3H13C18 AB2C3D13E18 -112.25 4.91 -9.65 -0.93 0
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441527 135235775 1 N2O3H22C25 A2B3C22D25 -0.11 2.57 -8.83 -0.21 0
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441528 135235776 1 F2O2N3H13C19 A2B2C3D13E19 -59.31 4.87 -9.5 -0.94 0
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441529 135235777 1 N2O2F3H15C19 A2B2C3D15E19 -141.91 6.0 -9.63 -1.16 0
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441530 135235778 1 O2F3N3H12C18 A2B3C3D12E18 -126.49 6.75 -9.02 -1.24 0
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441531 135235779 1 N2O3H20C21 A2B3C20D21 -45.43 5.59 -9.44 -0.72 0
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441532 135235780 2 ON2H8C10 AB2C8D10 70.3 4.59 -9.46 -1.1 0
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441533 135235893 1 N2O2H18C19 A2B2C18D19 6.09 4.22 -8.89 -0.34 0
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441534 135235895 2 NOH9C10 ABC9D10 35.06 4.53 -8.7 -0.5 0
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441535 135235897 1 N2O2F4H14C19 A2B2C4D14E19 -194.54 6.19 -9.37 -0.91 0
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441536 135235898 1 N2O2F3H15C19 A2B2C3D15E19 -146.16 9.0 -8.87 -0.9 0
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441537 135235900 1 ClOF2N4H13C19 ABC2D4E13F19 -14.99 5.33 -8.82 -0.97 0
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441538 135235905 1 O2N3F4H11C17 A2B3C4D11E17 -160.97 2.2 -9.3 -1.43 0
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441539 135235906 1 NOSF3H14C19 ABCD3E14F19 -116.05 7.01 -8.7 -0.81 0
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441540 135235907 1 ON3H17C20 AB3C17D20 79.32 2.34 -8.6 -0.86 0
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441541 135235957 2 NOF2H6C9 ABC2D6E9 -184.29 9.94 -9.14 -0.94 0
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441542 135236011 2 O2C5H8 A2B5C8 -180.6 2.8 -9.11 0.38 -1
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441543 135236012 1 NSO4C7H14 ABC4D7E14 -159.77 1.5 0.0 0.0 3
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441545 135236014 2 OC6H8 AB6C8 -92.68 6.03 -9.96 -0.27 0
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441546 135236016 2 O2C16H23 A2B16C23 -204.53 8.06 -9.03 -0.28 0
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441547 135236017 1 O5C30H36 A5B30C36 -163.09 5.64 -9.1 -1.78 0
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441548 135236018 2 O2C16H23 A2B16C23 -206.16 6.7 -9.15 -0.28 0
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441549 135236019 1 O3C11H18 A3B11C18 -159.51 3.53 -9.84 0.2 1
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441550 135236020 1 HPC2O3F5 ABC2D3E5 -408.39 2.9 0.0 0.0 0
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441551 135236021 2 O2C7H10 A2B7C10 -160.8 4.14 -10.34 -0.58 0
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441552 135236023 1 O5C32H44 A5B32C44 -203.7 4.59 -9.48 -2.0 0
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441553 135236126 1 SF2O3N5H19C25 AB2C3D5E19F25 -91.32 9.64 -8.77 -0.82 0
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441554 135236128 1 SF2O3N4H16C21 AB2C3D4E16F21 -119.2 3.34 -8.72 -0.89 0