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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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242476 96100302 1 O3N5C15H23 A3B5C15D23 -75.09 5.57 -9.39 0.06 0
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242477 96100313 1 O3N5C14H19 A3B5C14D19 -40.18 1.75 -9.3 0.0 0
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242478 96100323 1 O3N5C16H25 A3B5C16D25 -111.13 3.9 -9.11 0.22 0
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242479 96100325 1 O3N5C17H19 A3B5C17D19 -27.6 6.98 -9.39 -0.57 0
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242480 96100334 1 SO2N4C16H18 AB2C4D16E18 -12.96 3.43 -8.7 -0.26 0
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242481 96100335 1 SO2N4C16H18 AB2C4D16E18 -16.12 3.34 -8.56 -0.11 0
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242482 96100342 1 O4N5C15H19 A4B5C15D19 -84.9 2.96 -9.28 -0.38 0
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242483 96100344 2 ON2C9H11 AB2C9D11 -5.44 6.42 -9.05 0.03 0
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242484 96100345 2 ON2C9H11 AB2C9D11 -7.07 5.6 -9.22 0.03 0
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242485 96107378 3 NOC4H5 ABC4D5 -93.33 3.43 -9.45 -0.66 0
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242486 96107397 1 FN2O3C13H15 AB2C3D13E15 -151.68 4.9 -9.12 -0.6 0
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242487 96107406 2 NO2C7H9 AB2C7D9 -125.57 2.89 -8.44 -0.3 0
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242488 96107410 1 N2O4C13H16 A2B4C13D16 -138.79 4.86 -8.67 -0.5 0
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242489 96107411 1 N2O4C13H16 A2B4C13D16 -139.32 4.1 -8.67 -0.53 0
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242490 96107413 1 N2O4C13H16 A2B4C13D16 -138.67 5.32 -8.69 -0.51 0
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242491 96107443 1 FN2O3C13H15 AB2C3D13E15 -144.89 5.05 -9.18 -0.5 0
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242492 96107456 1 FON2H15C16 ABC2D15E16 -24.89 2.93 -8.93 -0.3 0
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242493 96107462 1 ON3C15H15 AB3C15D15 29.71 3.57 -9.06 -0.38 0
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242494 96107463 1 ON3C15H15 AB3C15D15 28.4 3.02 -9.02 -0.48 0
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242495 96107471 1 N3O3H15C16 A3B3C15D16 -51.71 5.44 -9.74 -0.95 0
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242496 96107474 1 OF2N3H13C15 AB2C3D13E15 -59.44 4.41 -9.25 -0.66 0
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242497 96107485 1 ON4C14H14 AB4C14D14 33.49 3.71 -8.9 -0.61 0
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242498 96107501 1 FON3H14C15 ABC3D14E15 -27.88 4.52 -9.12 -0.49 0
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242499 96107523 1 FON3H14C15 ABC3D14E15 -28.57 5.64 -8.95 -0.39 0
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242500 96107529 1 ON4C14H14 AB4C14D14 35.91 2.26 -8.6 -0.67 0
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242501 96107541 1 OF2N3H13C15 AB2C3D13E15 -70.75 3.58 -9.02 -0.66 0
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242502 96107542 1 FON3H14C15 ABC3D14E15 -27.16 2.87 -8.77 -0.54 0
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242503 96107544 1 FON3H14C15 ABC3D14E15 -29.74 3.88 -8.97 -0.59 0
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242504 96107609 1 FON4C14H15 ABC4D14E15 -21.42 2.69 -9.38 -0.69 0
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242505 96107613 1 ON3C15H21 AB3C15D21 -10.42 4.32 -8.79 -0.2 0
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242506 96107622 1 FON3C15H20 ABC3D15E20 -52.77 2.49 -8.83 -0.4 0
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242507 96107625 1 FON3C15H20 ABC3D15E20 -61.99 4.04 -9.07 -0.44 0
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242508 97301712 1 O2Cl3C4F5 A2B3C4D5 -346.63 1.12 -11.79 -1.7 0
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242509 97301715 1 O2C5F5H5 A2B5C5D5 -335.76 1.81 -12.07 -0.82 0
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242510 97301718 1 ClH2F3O3C4 AB2C3D3E4 -275.48 2.69 -11.63 -1.16 0
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242511 97301730 1 O2C17H18 A2B17C18 -56.76 0.58 -8.91 -0.48 0
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242512 97301732 1 ClFO2H10C13 ABC2D10E13 -90.36 0.74 -9.38 -0.68 0
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242513 97301759 1 NO2H5F6C9 AB2C5D6E9 -375.57 3.13 -9.65 -1.42 0
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242514 97301761 1 NO2H5F6C9 AB2C5D6E9 -374.84 6.2 -9.54 -1.31 0
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242515 97301762 2 FO2N3H7C8 AB2C3D7E8 -73.04 1.77 -9.88 -1.69 0
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242516 97301775 1 NOC13H17 ABC13D17 -39.18 2.69 -8.74 0.26 0
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242518 97301791 1 ClNO4H10C16 ABC4D10E16 -111.77 8.18 -10.07 -1.69 0
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242519 97301792 1 FNCl2O2H12C16 ABC2D2E12F16 -96.14 5.8 -9.26 -0.77 0
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242520 97301801 1 FNO3C18H18 ABC3D18E18 -133.54 2.32 -9.07 -0.1 0
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242521 97301810 1 ClFON3C19H21 ABCD3E19F21 -45.69 1.83 -9.04 -0.49 0
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242522 97301819 1 F2N2O3H4C8 A2B2C3D4E8 -80.39 4.5 -10.58 -1.9 0
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242523 97301824 2 N2O2F3H6C8 A2B2C3D6E8 -334.66 2.9 -10.4 -1.44 0
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242524 97301830 1 N2O5C14H16 A2B5C14D16 -216.12 7.43 -9.21 -0.71 0
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242525 97301832 1 SO2C8H18 AB2C8D18 -121.87 3.17 -8.3 0.51 0
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242526 97301851 1 ON3C12H25 AB3C12D25 -56.36 2.21 -9.24 1.23 0
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242527 97301856 1 ClSN3O3C13H20 ABC3D3E13F20 -110.96 4.66 -9.12 -1.11 0
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242528 97301865 1 ClN2O2C26H29 AB2C2D26E29 -27.03 3.85 -8.47 -0.12 0
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242529 97301870 1 ClNOC26H26 ABCD26E26 30.51 2.73 -8.61 -0.16 0
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242530 97301875 1 NO2C28H39 AB2C28D39 -66.48 2.48 -8.41 0.4 0
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242531 97301882 1 N2O4C27H30 A2B4C27D30 -11.46 6.23 -8.89 -0.3 0
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242532 97301884 1 ClO2N3C25H28 AB2C3D25E28 -2.23 2.31 -8.05 -0.3 0
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242533 97301885 1 N2O4C27H30 A2B4C27D30 -10.73 7.57 -8.79 -0.66 0
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242534 97301886 2 NO2C15H17 AB2C15D17 -20.99 4.96 -8.82 -0.72 0
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242535 97301901 1 SN4O5C19H32 AB4C5D19E32 -199.54 9.67 -9.66 -0.38 0
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242536 97301902 1 SN4O5C19H32 AB4C5D19E32 -196.06 8.16 -9.43 -0.39 0
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242537 97301903 1 SN4O5C21H28 AB4C5D21E28 -155.71 8.6 -8.63 -0.68 0
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242538 97301905 1 ClN2S2H5C6 AB2C2D5E6 54.6 3.09 -9.08 -1.3 0
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242539 97301915 1 ON2C13H16 AB2C13D16 -8.43 3.2 -8.17 -0.31 0
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242540 97301927 1 N2O5C20H26 A2B5C20D26 -158.51 6.61 -8.29 -0.23 0
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242541 97301929 1 SCl2O5H8C9 AB2C5D8E9 -199.01 5.22 -9.65 -1.34 0
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242542 97301955 1 NSO2C9H13 ABC2D9E13 -40.45 3.86 -8.49 -0.19 0
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242543 97301957 1 NSO2C9H13 ABC2D9E13 -39.24 5.29 -8.06 -0.35 0
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242544 97301961 1 NO2C14H15 AB2C14D15 -23.21 2.92 -8.34 -0.06 0
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242545 97301968 1 NO3C17H27 AB3C17D27 -138.62 6.11 -9.21 -0.38 0
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242546 97301977 1 NO3C20H25 AB3C20D25 -86.5 5.09 -9.26 -0.54 0
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242547 97301980 1 NO3C20H25 AB3C20D25 -91.94 3.65 -9.29 -0.54 1
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242548 97301993 1 NO2C26H34 AB2C26D34 -43.3 1.36 0.0 0.0 0
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242549 97302002 1 NO2C12H17 AB2C12D17 -77.04 2.58 -8.51 0.46 0
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242550 97302009 1 NS2O4C11H17 AB2C4D11E17 -189.02 5.65 -9.24 -0.31 0
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242551 97302020 1 NSO6C17H19 ABC6D17E19 -225.54 6.53 -8.98 -0.45 0