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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163475 58000038 1 FN3O3H18C21 AB3C3D18E21 -101.94 5.78 -9.22 -1.35 0
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163476 58000062 1 FSN4O5C24H25 ABC4D5E24F25 -184.92 6.16 -9.05 -1.35 0
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163477 58001248 1 F2N5O5C34H41 A2B5C5D34E41 -281.21 8.22 -8.83 -0.69 0
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163478 58002082 1 N3O3C25H33 A3B3C25D33 -123.97 6.51 -9.65 -0.85 0
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163479 58002084 1 SN2O4C26H36 AB2C4D26E36 -156.94 5.0 -9.36 -1.01 0
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163480 58002571 1 F4N4O4H24C25 A4B4C4D24E25 -277.24 3.56 -9.68 -1.0 0
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163481 58002673 1 FO2N5C28H30 AB2C5D28E30 -15.51 3.87 -9.22 -0.96 0
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163482 58002823 1 ClN2O2F3H28C35 AB2C2D3E28F35 -141.28 6.59 -8.73 -0.78 0
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163483 58003007 1 O2F3C27H33 A2B3C27D33 -263.33 6.01 -8.8 -0.36 0
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163484 58003537 1 NOF6C32H35 ABC6D32E35 -334.25 7.19 -8.98 -0.62 0
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163485 58003723 1 OYC5H10 ABC5D10 27.7 2.25 0.0 0.0 0
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163486 58003825 1 NSO8C36H47 ABC8D36E47 -350.43 8.8 -8.71 -0.93 0
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163487 58003894 2 S3H11C15 A3B11C15 160.21 0.35 -8.37 -1.38 0
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163488 58003981 1 O2N4C67H70 A2B4C67D70 147.4 4.1 -7.93 -1.12 0
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163489 58004079 2 S2H13C24 A2B13C24 213.25 2.04 -8.3 -1.14 0
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163490 58004341 1 BPtN2H41C44 ABC2D41E44 429.34 7.68 -7.21 -1.14 0
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163491 58004570 1 FO4N5H26C27 AB4C5D26E27 -85.98 4.3 -8.07 -0.98 0
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163492 58004725 1 BrFNO3H9C11 ABCD3E9F11 -114.13 4.14 -8.67 -0.89 0
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163493 58005153 1 SF3N5O7C39H54 AB3C5D7E39F54 -394.79 15.43 -8.22 -0.81 0
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163494 58005257 1 PSN4O7C27H33 ABC4D7E27F33 -300.51 8.46 -8.45 -0.79 0
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163495 58005264 1 PSN3O8C29H34 ABC3D8E29F34 -289.58 7.16 -8.37 -0.7 1
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163496 58005271 3 NC2H4 AB2C4 45.13 2.52 0.0 0.0 0
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163497 58005309 1 SN2O3H18C24 AB2C3D18E24 -12.47 3.72 -8.73 -0.94 0
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163498 58005584 1 ClN2C9H11 AB2C9D11 27.05 3.31 -8.11 0.38 0
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163500 58006283 1 NO2C10H13 AB2C10D13 -43.74 2.95 -8.91 -0.26 0
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163501 58006346 1 O2N3C18H27 A2B3C18D27 -99.56 3.56 -8.25 0.25 0
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163502 58006923 1 Cl2N2C15H16 A2B2C15D16 22.34 3.41 -9.35 -0.34 0
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163503 58007294 1 BrClSN2O2C24H24 ABCD2E2F24G24 -32.35 2.15 -8.66 -0.74 0
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163504 58009805 1 SF2O3N6H18C19 AB2C3D6E18F19 -78.37 11.1 -9.0 -1.77 0
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163505 58009818 1 O5C12H16 A5B12C16 -206.19 1.67 -9.54 -0.78 0
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163506 58010083 1 ON5C19H25 AB5C19D25 48.94 6.67 -8.55 -1.29 0
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163507 58010494 1 FSO2N3C21H24 ABC2D3E21F24 -75.13 10.79 -8.86 -0.51 0
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163508 58015370 1 BrOSN4H7C12 ABCD4E7F12 48.81 5.44 -9.25 -1.66 0
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163509 58015561 1 ClO3N4H23C26 AB3C4D23E26 1.31 5.73 -8.71 -0.99 0
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163510 58015565 2 ON2C10H10 AB2C10D10 23.37 4.7 -8.65 -0.65 0
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163511 58016332 1 ClO2N4H15C20 AB2C4D15E20 8.76 4.97 -8.99 -0.96 0
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163512 58023173 1 FOSN3H24C25 ABCD3E24F25 -4.03 3.24 -8.66 -0.97 0
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163513 58023174 1 SN2O2H24C25 AB2C2D24E25 -5.73 2.78 -9.01 -1.06 2
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163514 58023235 1 ON4C19H24 AB4C19D24 22.72 3.57 -6.61 -0.48 0
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163515 58023885 1 OF2N4C21H26 AB2C4D21E26 -81.19 1.87 -8.65 -0.62 1
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163516 58023893 1 OF4N4H11C15 AB4C4D11E15 -155.53 4.54 0.0 0.0 0
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163517 58023896 1 N3O3C13H15 A3B3C13D15 -82.72 7.4 -9.12 -0.98 0
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163518 58023898 1 OF2N5H21C23 AB2C5D21E23 -49.02 4.39 -8.68 -1.05 1
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163519 58023901 1 FO2N3C25H27 AB2C3D25E27 -74.67 3.77 0.0 0.0 2
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163521 58023913 1 FO2N3C20H21 AB2C3D20E21 -78.03 1.51 0.0 0.0 2
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163522 58023914 1 ON4C23H28 AB4C23D28 27.46 6.47 -6.79 -0.58 1
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163523 58023917 1 ClO2N4C20H22 AB2C4D20E22 -17.06 5.53 0.0 0.0 0
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163524 58026024 1 F4O7H30C34 A4B7C30D34 -389.35 9.04 -8.68 -0.64 0
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163525 58026959 1 NO2C21H25 AB2C21D25 -56.02 1.49 -7.92 0.08 0
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163527 58029071 2 NH9C14 AB9C14 128.83 1.32 -8.02 -0.74 0