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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227440 87561757 1 SO5C11H14 AB5C11D14 -190.6 4.13 -9.32 -0.6 0
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227441 87561760 1 SO3F4C9H12 AB3C4D9E12 -327.42 2.48 -11.07 -1.08 0
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227442 87561761 1 S2O3F4H26C27 A2B3C4D26E27 -235.59 8.73 -8.8 -0.67 0
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227443 87561762 1 NCl2O5F6H21C27 AB2C5D6E21F27 -466.68 6.05 -8.78 -1.66 0
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227444 87561763 1 ClN2O3C7H7 AB2C3D7E7 -112.82 4.54 -9.14 -0.85 0
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227445 87561765 1 O5C27H44 A5B27C44 -204.37 4.05 -9.38 0.19 0
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227446 87561768 1 O3C21H38 A3B21C38 -163.54 1.83 -9.58 0.79 0
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227447 87561775 1 ClKSN2H3O3C4 ABCD2E3F3G4 -142.97 8.63 0.0 0.0 0
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227448 87561776 2 O2C6H9 A2B6C9 -148.53 4.72 -10.3 -0.6 0
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227449 87561777 1 O4C13H22 A4B13C22 -132.28 1.69 -9.72 1.68 0
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227450 87561779 1 IN3O5C15H16 AB3C5D15E16 -50.04 6.29 -9.48 -1.86 0
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227451 87561780 1 NP2S2C36H77 AB2C2D36E77 -285.13 5.26 -8.77 0.21 0
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227452 87561781 1 BrO3C10H11 AB3C10D11 -91.28 2.04 -9.44 -0.44 0
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227453 87561782 2 O5C11H21 A5B11C21 -435.11 2.16 -10.76 -1.41 0
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227454 87561785 2 NOC3H7 ABC3D7 -107.66 2.35 -9.14 0.97 0
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227455 87561786 1 BrO3N5C6H6 AB3C5D6E6 41.44 6.15 -9.88 -1.65 0
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227456 87561787 1 ClN4C7H9 AB4C7D9 71.21 3.73 -9.31 -1.12 0
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227457 87561788 1 ClO2N4C17H19 AB2C4D17E19 -40.45 3.35 -9.47 -0.52 0
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227458 87561789 1 P2C17H22 A2B17C22 22.01 1.08 -8.35 0.13 0
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227459 87561790 1 OSiC27H37 ABC27D37 -10.84 1.62 0.0 0.0 0
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227460 87561791 1 NO5C14H19 AB5C14D19 -153.78 2.21 -10.12 -1.11 0
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227461 87561794 1 FNO3C14H18 ABC3D14E18 -124.17 1.64 -9.86 -0.54 0
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227462 87561799 1 O5C22H30 A5B22C30 -117.18 3.28 -9.06 0.68 0
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227463 87561802 1 N2O4C13H16 A2B4C13D16 -73.16 6.46 -9.92 -0.83 0
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227464 87561805 1 ClSF2N3O3C27H28 ABC2D3E3F27G28 -187.82 3.61 -8.78 -0.95 0
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227465 87561806 1 ClSF2N3O3C27H28 ABC2D3E3F27G28 -191.24 4.86 -8.85 -0.73 0
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227466 87561807 2 OSN2C8H9 ABC2D8E9 -1.56 4.17 -8.8 -0.95 0
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227467 87561808 2 OSN2C8H8 ABC2D8E8 1.01 5.6 -8.94 -0.98 0
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227468 87561810 1 O2S2N3H13C14 A2B2C3D13E14 -8.14 4.1 -8.78 -0.71 0
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227469 87561811 2 O3C11H18 A3B11C18 -308.53 3.78 -9.93 0.19 0
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227470 87561812 1 O3C20H36 A3B20C36 -160.22 4.05 -9.61 0.6 0
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227471 87561813 1 PSN2O7C17H21 ABC2D7E17F21 -315.75 7.84 -9.84 -0.82 0
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227472 87561817 1 ClFN3H7C12 ABC3D7E12 51.96 3.28 -8.86 -1.35 0
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227473 87561818 1 AsClO2N3C14H15 ABC2D3E14F15 139.31 2.75 -8.23 -1.73 0
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227474 87561819 1 ClO2N4C12H13 AB2C4D12E13 -26.78 5.76 -9.18 -0.94 0
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227475 87561823 1 ClIO2S2H4C8 ABC2D2E4F8 -21.04 6.06 -9.58 -2.04 0
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227476 87561824 1 SiN2O3C19H22 AB2C3D19E22 -108.02 4.14 -7.13 -0.82 0
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227477 87561825 1 NP2S2C28H29 AB2C2D28E29 -35.94 10.61 -8.6 -0.38 0
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227478 87561826 1 O4N5H23C26 A4B5C23D26 -40.45 3.98 -8.63 -1.17 0
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227479 87561827 1 O3C13H16 A3B13C16 -25.94 2.25 -8.71 -0.33 0
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227481 87561830 1 O4C21H32 A4B21C32 -135.1 4.11 -9.53 0.19 0
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227482 87561831 1 O4C21H32 A4B21C32 -134.46 5.18 -9.43 0.25 0
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227483 87561832 1 O3C26H42 A3B26C42 -129.81 2.69 -9.36 0.78 0
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227484 87561834 1 O2N7C28H35 A2B7C28D35 33.64 10.02 -8.07 -0.35 0
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227485 87561835 1 SCl2N3O3H21C22 AB2C3D3E21F22 -51.74 2.32 -9.16 -0.66 0
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227486 87561836 2 NO2C8H9 AB2C8D9 -96.32 5.58 -9.21 0.02 0
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227487 87561839 1 SN3O3C20H21 AB3C3D20E21 -15.78 5.16 -8.6 -1.26 0
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227488 87561841 1 S3C8O9H10 A3B8C9D10 -335.99 5.26 -10.97 -1.42 0
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227489 87561843 1 ClO2N4C12H13 AB2C4D12E13 -27.1 4.9 -9.05 -0.81 0
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227490 87561844 1 ClISN2O2H14C18 ABCD2E2F14G18 14.92 4.76 -8.95 -1.88 0
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227491 87561846 1 N4O7C12H26 A4B7C12D26 -345.7 8.18 -10.04 -0.28 0
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227492 87561849 1 NO3C11H21 AB3C11D21 -154.47 1.88 -9.28 0.57 0
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227493 87561850 1 ClN2O2C7H7 AB2C2D7E7 -66.08 5.71 -9.64 -0.87 0
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227494 87561851 1 ON5H15C19 AB5C15D19 117.68 4.01 -8.97 -1.33 0
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227495 87561852 1 O3H14C17 A3B14C17 -33.14 6.89 -9.33 -1.9 0
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227496 87561853 1 O3C17H18 A3B17C18 -30.79 4.11 -9.39 -2.0 0
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227497 87561858 1 BrN4C12H19 AB4C12D19 23.64 4.77 -8.51 -0.62 0
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227498 87561861 2 OC4H7 AB4C7 -59.56 3.58 -10.28 0.59 0
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227499 87561862 2 OC4H7 AB4C7 -59.93 3.57 -10.28 0.62 0
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227500 87561875 1 ClSN4O4C21H23 ABC4D4E21F23 -89.33 2.64 -9.55 -0.99 0
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227501 87561876 1 Cl2S2N8O10C41H42 A2B2C8D10E41F42 -232.57 9.75 -9.53 -1.21 0
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227502 87561878 1 Cl2S2N8O10C41H42 A2B2C8D10E41F42 -225.89 2.23 -9.39 -1.45 0
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227503 87561880 1 SiO6C24H40 AB6C24D40 -300.07 3.65 -9.32 -0.67 0
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227504 87561881 1 SN3O7C25H33 AB3C7D25E33 -263.06 5.84 -9.17 -0.46 0
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227505 87561882 1 SN3O7C25H33 AB3C7D25E33 -262.61 3.85 -9.32 -0.58 0
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227506 87561883 1 OSN3H13C14 ABC3D13E14 37.91 3.28 -8.8 -0.7 0
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227507 87561884 1 F2O3N4H22C26 A2B3C4D22E26 -91.98 1.92 -8.44 -1.03 0
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227508 87561886 1 N2O3C16H20 A2B3C16D20 -61.28 3.84 -8.7 0.48 0
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227509 87561888 1 AsOC8H9 ABC8D9 40.07 1.43 -8.06 -0.41 0
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227510 87561889 1 NO5C17H17 AB5C17D17 -148.84 6.56 -9.38 -0.46 0
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227511 87561893 1 ClLiSO3H11C20 ABCD3E11F20 -90.17 5.82 0.0 0.0 0
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227512 87561894 2 C5O5H9 A5B5C9 -444.35 1.27 -10.4 -1.01 0
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227513 87561896 1 O9C10H16 A9B10C16 -384.64 5.02 -10.72 -0.79 0
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227514 87561897 1 ClNO5C22H24 ABC5D22E24 -144.8 5.49 -8.37 -0.18 0
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227515 87561898 1 SN3O3C17H17 AB3C3D17E17 -20.71 3.65 -9.07 -1.56 1