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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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132411 51359649 1 NS2O3C8H15 AB2C3D8E15 -130.46 2.69 -9.07 0.09 0
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132412 51359752 1 SN2O3C19H22 AB2C3D19E22 -73.31 4.09 -8.54 -0.22 0
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132413 51359753 1 SN2O4C17H20 AB2C4D17E20 -125.54 5.53 -8.94 -0.55 0
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132414 51359754 1 SN2O3C19H24 AB2C3D19E24 -95.58 4.07 -8.58 -0.13 0
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132415 51360007 1 N2F3O4H21C25 A2B3C4D21E25 -222.6 3.54 -8.34 -1.27 0
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132416 51360308 1 N3O6C17H21 A3B6C17D21 -221.01 7.95 -9.07 -0.68 0
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132417 51360598 1 BrClON2H16C21 ABCD2E16F21 52.72 4.47 -8.83 -1.02 0
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132418 51360848 1 OSN7C22H33 ABC7D22E33 42.77 6.78 -8.56 -0.06 0
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132419 51360849 1 ON7C25H31 AB7C25D31 78.83 3.42 -8.58 -0.3 0
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132420 51360921 1 O2N5C23H25 A2B5C23D25 25.26 6.81 -8.79 -0.76 0
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132421 51360922 1 ON5C24H27 AB5C24D27 50.52 8.52 -8.55 -0.58 0
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132422 51360970 1 ON4C23H26 AB4C23D26 75.84 6.08 -9.14 -0.6 0
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132423 51361048 1 NOSC14H17 ABCD14E17 -7.14 2.4 -8.34 -0.24 0
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132424 51361049 1 N2O2C13H14 A2B2C13D14 -33.97 5.01 -8.75 -0.21 0
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132425 51361285 1 ClN2C20H21 AB2C20D21 42.8 2.79 -8.76 -0.87 0
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132426 51361402 1 OSN2C22H30 ABC2D22E30 -21.45 3.45 -8.54 0.22 0
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132427 51361441 1 O6C23H32 A6B23C32 -284.85 2.73 -9.81 -0.18 0
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132428 51361648 1 N4O7C25H34 A4B7C25D34 -306.52 1.37 -9.59 -0.84 0
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132429 51361649 1 N4O7C26H34 A4B7C26D34 -304.59 8.89 -9.63 -0.68 0
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132430 51361827 1 ClN2O3C20H21 AB2C3D20E21 -92.76 3.15 -9.19 -1.13 0
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132431 51361933 1 O2N3H17C20 A2B3C17D20 42.24 3.77 -8.19 -0.56 0
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132432 51361934 1 N3O3H17C20 A3B3C17D20 10.88 4.14 -8.1 -0.56 0
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132433 51361935 2 ON2C12H15 AB2C12D15 -53.89 5.01 -8.58 -0.12 0
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132434 51362035 1 FOSN2H15C21 ABCD2E15F21 40.07 2.45 -8.89 -1.36 0
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132435 51362108 1 NO6H15C16 AB6C15D16 -144.8 2.64 -10.8 -1.89 0
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132436 51362136 1 O3N4C33H36 A3B4C33D36 -60.5 4.95 -8.57 -0.33 0
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132437 51362259 1 BrOSN4H9C12 ABCD4E9F12 59.46 4.77 -8.93 -1.54 0
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132438 51362260 1 ClO2N6H15C19 AB2C6D15E19 58.64 11.3 -9.12 -1.79 0
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132439 51362261 1 ClON6H19C24 ABC6D19E24 103.37 9.82 -9.11 -1.81 0
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132440 51362262 1 ClO2N3H16C18 AB2C3D16E18 22.76 8.13 -8.38 -0.98 0
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132441 51362263 1 O3C25H32 A3B25C32 -126.84 7.33 -8.97 -0.74 0
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132442 51362264 1 NO8H13C16 AB8C13D16 -199.46 4.29 -9.87 -2.0 0
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132443 51362405 1 N4O4H20C21 A4B4C20D21 -75.29 3.08 -8.82 -0.9 0
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132444 51362465 1 O2N3C18H25 A2B3C18D25 -50.68 2.74 -9.36 -1.25 0
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132445 51362865 1 ClSN2O3H13C23 ABC2D3E13F23 6.91 2.63 -9.01 -1.33 1
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132446 51362926 1 SN2O3C22H27 AB2C3D22E27 -56.69 23.42 0.0 0.0 0
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132447 51362969 1 SN5C16H19 AB5C16D19 84.1 2.12 -8.6 -1.0 0
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132448 51362970 1 SO2N3C19H27 AB2C3D19E27 -71.01 3.93 -8.7 -0.81 0
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132449 51362971 1 NF3O4H14C18 AB3C4D14E18 -257.67 3.0 -8.89 -1.34 0
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132450 51363133 1 N2O2C21H26 A2B2C21D26 -30.04 4.93 -8.56 -0.22 0
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132451 51363134 1 ON2C22H28 AB2C22D28 -14.18 2.14 -8.53 -0.11 0
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132452 51363421 1 SO3N6C23H26 AB3C6D23E26 -35.36 6.83 -8.83 -1.11 0
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132453 51363422 1 SO3N6C23H32 AB3C6D23E32 -83.26 8.26 -8.61 -0.84 0
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132454 51363423 1 SO3N6C25H30 AB3C6D25E30 -59.44 6.31 -8.91 -1.24 0
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132455 51363424 1 ClSO3N6C22H23 ABC3D6E22F23 -49.82 6.19 -8.91 -1.35 0
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132456 51363425 1 SO4N6C24H28 AB4C6D24E28 -83.89 6.44 -8.78 -1.16 0
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132457 51363426 1 SO5N6C23H24 AB5C6D23E24 -103.7 7.78 -8.43 -1.32 0
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132458 51363427 1 SO3N6C24H28 AB3C6D24E28 -53.52 5.83 -8.74 -1.52 0
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132459 51363789 1 ClO3N4H21C23 AB3C4D21E23 -46.24 4.51 -8.6 -0.71 0
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132460 51364262 1 N3O5H21C26 A3B5C21D26 -45.47 4.72 -8.82 -1.07 0
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132461 51364726 1 O2N4C23H26 A2B4C23D26 -52.43 1.29 -8.8 -0.54 0
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132462 51365213 1 SN3O3H17C22 AB3C3D17E22 -6.7 4.86 -8.99 -0.89 0
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132463 51365535 1 OSN3H21C23 ABC3D21E23 52.27 2.33 -8.27 -0.65 0
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132464 51365536 1 OSN3H23C24 ABC3D23E24 43.43 4.37 -8.24 -0.61 0
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132465 51365537 1 OSN3H23C24 ABC3D23E24 42.21 3.02 -8.29 -0.6 0
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132466 51365538 1 OSN3H23C24 ABC3D23E24 42.35 2.73 -8.27 -0.59 0
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132467 51365539 1 OSN3C25H25 ABC3D25E25 34.41 3.96 -8.23 -0.65 0
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132468 51366226 1 ClN6H25C27 AB6C25D27 143.87 6.67 -8.7 -1.4 0
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132469 51366227 1 ClN6H25C27 AB6C25D27 137.47 6.4 -8.52 -1.42 0
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132470 51366430 1 N3O3C19H25 A3B3C19D25 -108.31 3.07 -9.26 -0.46 0
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132471 51366611 1 N3O7C23H31 A3B7C23D31 -275.31 4.67 -8.43 -0.38 0
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132472 51366629 1 N3O4C19H25 A3B4C19D25 -150.86 2.72 -9.0 -0.32 0
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132473 51366743 1 BrN4O4H19C23 AB4C4D19E23 -28.21 3.65 -8.55 -1.34 0
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132474 51367875 1 N2O3H22C25 A2B3C22D25 -23.71 3.59 -8.61 -1.4 0
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132475 51368076 1 N3O5H19C24 A3B5C19D24 -94.7 9.98 -9.02 -1.45 0
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132476 51368077 1 N3O5H21C25 A3B5C21D25 -102.16 7.57 -8.91 -1.48 0
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132477 51368289 1 FN2O4H19C23 AB2C4D19E23 -93.77 5.13 -8.72 -1.32 0
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132478 51368308 2 NO3H10C12 AB3C10D12 -135.71 8.05 -9.04 -1.55 0
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132479 51368309 1 N2O6H18C23 A2B6C18D23 -128.73 6.65 -9.02 -1.66 0
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132480 51368398 1 ClO3H13C14 AB3C13D14 -91.13 3.2 -9.2 -0.96 0
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132481 51368399 1 SO2F3N4H11C19 AB2C3D4E11F19 -51.08 8.71 -9.0 -1.83 0
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132482 51368400 1 SCl2O2N4H12C19 AB2C2D4E12F19 70.69 6.1 -8.83 -1.26 0
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132483 51368401 1 ClO2N3H12C17 AB2C3D12E17 50.11 1.64 -8.83 -1.14 0
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132484 51368791 1 FO3N4H19C22 AB3C4D19E22 -85.79 4.36 -9.48 -1.28 0
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132485 51368792 1 FN3O5C24H26 AB3C5D24E26 -197.22 2.76 -8.48 -1.06 0
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132486 51368793 1 ClFN3O3H21C22 ABC3D3E21F22 -133.51 1.21 -9.42 -1.13 0
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132487 51368822 1 FN3O3C25H28 AB3C3D25E28 -139.67 4.0 -9.38 -0.91 0
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132488 51369209 1 O2N3C19H19 A2B3C19D19 -36.61 3.38 -9.09 -0.99 0
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132489 51369641 1 N5O5H19C26 A5B5C19D26 -29.37 6.81 -9.38 -1.98 0
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132490 51369642 1 FO3N5H18C25 AB3C5D18E25 9.37 2.42 -9.17 -1.52 0
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132491 51370258 1 OSN2H18C22 ABC2D18E22 85.3 2.96 -8.96 -1.09 0
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132492 51370259 1 BrSN2H17C22 ABC2D17E22 113.22 4.51 -8.44 -0.46 0
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132493 51370260 1 OSCl2N6C15H18 ABC2D6E15F18 7.21 2.85 -8.99 -0.94 0
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132494 51370306 1 OSF2N2H24C31 ABC2D2E24F31 -15.87 2.89 -8.83 -1.03 0
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132495 51370307 1 ClSN2O3F4H23C32 ABC2D3E4F23G32 -214.89 2.03 -8.92 -1.46 0
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132496 51370576 1 N3O3C22H27 A3B3C22D27 -96.99 3.33 -9.15 -0.76 0
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132497 51370577 1 N3O3C19H25 A3B3C19D25 -110.42 0.74 -9.13 -0.7 0
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132498 51371001 1 BrN2O2C22H25 AB2C2D22E25 -68.1 8.07 -8.93 -1.45 0
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132499 51371115 1 O4N5C17H23 A4B5C17D23 -73.28 2.7 -8.74 -0.6 0
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132500 51371158 1 NaP2N4O13C14H29 AB2C4D13E14F29 -748.14 6.87 -9.31 -0.33 1
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132501 51371159 1 P2N4O11C14H27 A2B4C11D14E27 -559.73 10.44 0.0 0.0 -1
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132502 51371621 1 SO2N4C14H21 AB2C4D14E21 -70.59 2.47 0.0 0.0 0
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132503 51371622 1 SO2N4C14H22 AB2C4D14E22 -74.66 4.59 -8.38 -0.77 1
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132504 51371623 1 ON3H14C15 AB3C14D15 57.48 5.32 0.0 0.0 -1
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132505 51372023 1 OSN3H16C18 ABC3D16E18 56.95 5.4 0.0 0.0 1
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132506 51372024 1 N3C20H22 A3B20C22 77.2 1.9 0.0 0.0 0
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132507 51372823 1 NO2H11C15 AB2C11D15 -4.29 2.9 -9.52 -1.34 0
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132508 51372908 1 OSN4C13H14 ABC4D13E14 44.57 5.35 -8.91 -0.71 1
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132509 51372909 1 OSN3C18H20 ABC3D18E20 -6.3 6.2 0.0 0.0 -1
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132510 51372910 1 NS2O4C14H14 AB2C4D14E14 -88.99 7.22 0.0 0.0 1