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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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232498 87576326 1 OCl2N6C14H16 AB2C6D14E16 23.91 6.56 -8.74 -0.09 0
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232499 87576327 1 N2O20C33H42 A2B20C33D42 -637.38 12.32 -9.74 -1.57 0
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232500 87576328 2 OC13H26 AB13C26 -211.82 1.74 -10.5 0.92 0
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232501 87576329 1 AgSO7C20H38 ABC7D20E38 -546.03 4.71 0.0 0.0 0
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232502 87576330 1 SO5C7H10 AB5C7D10 -184.97 3.75 -10.88 -1.24 0
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232503 87576331 1 SO5C7H10 AB5C7D10 -190.95 5.0 -10.57 -1.12 0
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232504 87576332 1 ClO2N5C18H20 AB2C5D18E20 -27.61 7.58 -8.77 -0.75 0
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232505 87576333 1 OSeC10H10 ABC10D10 -8.77 1.54 -8.13 -0.25 0
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232506 87576334 2 NOC10H11 ABC10D11 -52.49 4.0 -8.5 -0.14 0
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232507 87576335 1 LiSC2H2F3O3 ABC2D2E3F3 -331.7 9.86 -10.09 0.52 0
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232508 87576337 1 LiSC2O3F5 ABC2D3E5 -332.1 6.79 -10.02 -0.87 0
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232509 87576338 1 OTeC11H12 ABC11D12 -8.95 3.3 -8.01 -0.41 0
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232510 87576339 1 ClSiO3N6C25H35 ABC3D6E25F35 -123.9 3.7 -8.69 -0.67 0
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232511 87576340 1 BrClNC9H11 ABCD9E11 -13.66 4.53 -9.5 -0.59 0
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232512 87576341 1 OSeC11H12 ABC11D12 -14.3 2.71 -8.22 -0.18 0
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232513 87576342 1 FON2C19H19 ABC2D19E19 -55.0 5.93 -8.46 -0.18 0
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232514 87576344 1 ClSO3N6C23H23 ABC3D6E23F23 -26.67 8.84 -8.93 -0.51 0
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232515 87576347 2 N2O2F3H19C20 A2B2C3D19E20 -382.77 12.85 -9.44 -0.84 0
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232516 87576348 1 FSO3C5H7 ABC3D5E7 -130.03 5.12 -10.0 -0.52 0
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232517 87576351 2 SO2C21H41 AB2C21D41 -365.45 2.56 -9.17 -1.32 0
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232518 87576352 1 PO13C60H123 AB13C60D123 -887.21 4.74 -9.34 0.8 0
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232519 87576353 1 PO7C20H43 AB7C20D43 -457.76 3.92 -10.11 0.7 0
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232520 87576354 1 ClNSF5O6C19H19 ABCD5E6F19G19 -506.01 3.99 -10.24 -1.06 0
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232521 87576355 1 OSeH6C9 ABC6D9 10.97 3.47 -8.77 -1.07 0
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232522 87576358 1 N2O3C19H28 A2B3C19D28 -107.97 3.81 -8.54 -0.04 0
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232523 87576359 1 SN2C13H16 AB2C13D16 35.36 1.25 -8.65 -0.44 0
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232524 87576360 2 N2O2C11H11 A2B2C11D11 38.12 7.1 -8.6 -1.75 -2
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232527 87576367 1 FSN4O6C50H73 ABC4D6E50F73 -313.35 3.69 -8.7 -0.84 0
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232528 87576369 1 NO2C15H33 AB2C15D33 -158.39 2.02 -9.75 1.89 0
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232529 87576375 1 ON2C8H12 AB2C8D12 -8.86 5.82 -9.33 -0.07 0
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232530 87576377 1 N2F3O7H15C16 A2B3C7D15E16 -411.31 3.75 -10.56 -1.31 1
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232531 87576378 1 PO3C16H34 AB3C16D34 -183.32 0.87 0.0 0.0 0
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232532 87576379 1 ON2C21H24 AB2C21D24 -16.5 3.81 -8.49 -0.04 0
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232533 87576380 1 NSO2C7H15 ABC2D7E15 -114.38 4.62 -9.36 0.09 0
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232534 87576381 1 NSO2H11C15 ABC2D11E15 -28.31 1.4 -9.25 -1.05 0
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232536 87576383 1 NSO3H7C10 ABC3D7E10 -36.13 4.63 -9.79 -1.56 0
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232537 87576385 1 SiCl3H11C20 AB3C11D20 -33.89 2.32 -8.32 -1.47 0
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232538 87576386 1 O4C25H48 A4B25C48 -282.83 2.57 -10.64 0.23 0
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232539 87576387 1 ClMgC10H15 ABC10D15 -24.78 4.79 -9.56 -0.05 0
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232540 87576388 1 N2O2C13H22 A2B2C13D22 -47.64 1.56 -9.09 0.65 0
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232541 87576389 1 ClO2N7C16H18 AB2C7D16E18 21.41 4.25 -8.94 -1.01 0
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232542 87576390 1 OSiCl2C9H16 ABC2D9E16 -90.71 4.4 -9.87 -0.41 0
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232543 87576391 1 PN5O24C63H78 AB5C24D63E78 -988.65 11.22 -8.71 -0.65 0
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232544 87576392 1 NSSeH8C10 ABCD8E10 99.51 0.84 0.0 0.0 0
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232545 87576394 1 ClO2N6C22H27 AB2C6D22E27 -0.48 5.34 -8.86 -0.16 0
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232546 87576396 2 ClOH8C9 ABC8D9 -22.89 4.56 -9.06 -0.64 0
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232547 87576397 1 O2C23H42 A2B23C42 -151.56 6.39 -10.01 -0.86 0
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232548 87576398 1 FNO2C11H12 ABC2D11E12 -44.51 1.99 -10.04 -1.04 0
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232549 87576405 1 SN3O6C27H31 AB3C6D27E31 -142.64 5.53 -8.3 -0.56 0
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232550 87576407 1 N2O3C22H22 A2B3C22D22 -40.05 4.28 -8.05 -1.01 0
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232551 87576409 1 N2O5H20C21 A2B5C20D21 -161.69 11.12 -8.62 -1.24 0
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232552 87576410 1 SN2O4H26C30 AB2C4D26E30 -89.68 5.87 -8.77 -1.23 0
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232553 87576411 1 BrN2O4H21C22 AB2C4D21E22 -126.85 7.01 -8.92 -1.42 0
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232554 87576412 1 S2O7N11C55H55 A2B7C11D55E55 -71.55 4.65 -8.55 -1.07 0
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232555 87576413 1 SO4N6H30C31 AB4C6D30E31 -41.26 7.81 -8.46 -1.03 0
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232556 87576414 1 NO3C40H79 AB3C40D79 -308.97 5.28 -9.66 0.34 0
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232557 87576415 1 S2O7N11C55H55 A2B7C11D55E55 -68.53 4.1 -8.06 -1.0 0
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232558 87576419 1 PSC4H11 ABC4D11 -42.5 1.38 -9.15 0.3 0
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232559 87576420 1 O6N8C61H68 A6B8C61D68 -92.98 10.17 -8.77 -0.3 0
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232560 87576421 1 O3N4C29H32 A3B4C29D32 -53.34 3.87 -8.95 -0.44 0
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232561 87576422 1 SF2N3O6H21C26 AB2C3D6E21F26 -267.44 14.6 -8.71 -1.84 0
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232562 87576423 2 N2S4O10H47C54 A2B4C10D47E54 -398.48 8.89 -8.56 -2.25 0
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232563 87576426 1 ClO2N5C16H20 AB2C5D16E20 -34.18 5.18 -8.72 -0.42 0
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232564 87576430 1 F5O5H17C21 A5B5C17D21 -410.65 5.67 -9.81 -1.08 0
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232566 87576434 1 ClO2N6C18H23 AB2C6D18E23 -40.95 3.47 -8.8 -0.29 0
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232567 87576437 1 N3O5C18H25 A3B5C18D25 -201.84 3.78 -9.37 -0.98 0
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232568 87576439 1 ClSiO2N5C21H27 ABC2D5E21F27 -13.84 4.31 0.0 0.0 0
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232569 87576441 1 O2C19H38 A2B19C38 -178.51 1.5 -10.54 0.9 0
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232570 87576442 1 ClSiO2N5C21H28 ABC2D5E21F28 -61.5 3.55 -8.85 -0.94 0
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232571 87576444 1 ClSiO2N5C21H26 ABC2D5E21F26 -10.45 2.4 -7.42 -0.91 0
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232572 87576446 1 ClOSiN4C16H29 ABCD4E16F29 -95.73 2.84 -8.84 -0.24 0
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232573 87576447 1 BrO2C5H9 AB2C5D9 -86.26 4.68 -11.08 -1.3 0
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232574 87576449 1 ClO3N4F8H9C15 AB3C4D8E9F15 -465.67 5.2 -9.78 -1.64 0
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232575 87576450 1 SN3O4C7H9 AB3C4D7E9 -152.36 3.47 -9.9 -1.88 0
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232576 87576451 1 ClNO2C18H20 ABC2D18E20 -51.34 4.64 -8.85 -0.12 1