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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397537 135030356 3 O2N3C27H29 A2B3C27D29 -79.69 6.06 -8.45 -0.73 0
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397538 135030359 1 FNO4C15H16 ABC4D15E16 -159.42 0.97 -9.73 -0.56 -1
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397539 135030361 1 O3Cl6C12H13 A3B6C12D13 -106.12 3.15 0.0 0.0 0
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397540 135030364 1 O3Cl6C12H14 A3B6C12D14 -165.53 6.24 -10.46 -0.79 -1
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397541 135030365 1 O3Cl6C12H13 A3B6C12D13 -105.48 4.36 0.0 0.0 0
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397542 135030366 1 O3Cl6C12H14 A3B6C12D14 -152.57 4.72 -10.12 -0.67 0
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397543 135030367 1 ClNOH14C16 ABCD14E16 -1.99 2.77 -8.76 -0.14 0
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397544 135030368 1 NO3H15C19 AB3C15D19 -57.38 4.64 -9.07 -0.94 0
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397545 135030369 1 N2O3H18C21 A2B3C18D21 17.02 6.65 -8.69 -1.2 0
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397546 135030370 1 NOH21C25 ABC21D25 43.32 1.33 -8.45 -0.43 0
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397547 135030371 1 N2O3H20C22 A2B3C20D22 12.62 5.33 -8.81 -1.19 0
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397548 135030372 1 O2N3H13C18 A2B3C13D18 59.36 4.47 -9.22 -0.88 0
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397549 135030373 2 C17H22 A17B22 125.3 0.38 -8.4 -0.49 0
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397550 135030374 2 NO3H8C11 AB3C8D11 11.88 2.68 -10.24 -0.28 0
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397551 135030375 1 O3C8H12 A3B8C12 -124.09 3.38 -9.88 0.11 0
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397553 135030377 1 FNO7C28H34 ABC7D28E34 -330.41 3.35 -8.36 -0.36 0
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397554 135030378 1 ClNO6C25H26 ABC6D25E26 -227.81 1.27 -8.42 -0.86 0
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397555 135030380 1 O3H24C28 A3B24C28 -9.72 0.66 -8.86 -1.2 0
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397556 135030381 1 O3H22C28 A3B22C28 0.59 2.8 -9.59 -1.99 0
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397557 135030382 1 OC29H30 AB29C30 28.52 2.67 -9.15 -0.44 0
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397558 135030384 1 OC26H30 AB26C30 9.08 2.96 -9.16 0.35 0
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397559 135030385 1 OC23H26 AB23C26 5.49 2.85 -9.24 0.24 0
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397560 135030386 1 OC30H32 AB30C32 17.78 3.49 -9.17 -0.42 0
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397561 135030391 1 S2N6O7C26H32 A2B6C7D26E32 -223.73 5.14 -9.08 -0.67 1
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397562 135030392 1 OPSiF2C29H30 ABCD2E29F30 -100.93 6.0 0.0 0.0 0
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397563 135030394 1 O2H12C17 A2B12C17 -7.16 5.07 -9.38 -1.03 0
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397564 135030395 1 N2O2F3H7C15 A2B2C3D7E15 -152.77 3.89 -9.61 -1.87 0
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397565 135030396 1 NO3C17H21 AB3C17D21 -79.48 5.02 -9.46 0.17 0
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397566 135030397 1 NO2F6H9C16 AB2C6D9E16 -353.63 4.36 -10.59 -1.34 0
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397568 135030402 1 OPH23C25 ABC23D25 31.6 6.56 -8.13 -0.83 0
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397569 135030404 1 NSiO3C24H39 ABC3D24E39 -206.49 2.02 -8.79 -0.13 0
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397570 135030406 1 ClNO2C22H24 ABC2D22E24 -66.09 4.91 -8.72 -0.33 0
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397571 135030408 1 NO2C20H27 AB2C20D27 -93.84 2.93 -8.59 0.05 0
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397572 135030409 1 NO2C17H21 AB2C17D21 -57.11 1.75 -8.72 -0.07 0
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397573 135030410 1 NO2C22H25 AB2C22D25 -57.37 3.75 -8.64 0.0 0
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397574 135030411 1 NO2C24H35 AB2C24D35 -96.64 1.91 -8.56 0.11 -2
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397575 135030412 1 O5H14C15 A5B14C15 -41.61 8.21 -8.6 -2.2 0
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397576 135030413 1 O5C15H16 A5B15C16 -198.69 6.48 -8.31 -0.54 0
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397577 135030414 2 NO2C10H10 AB2C10D10 -31.28 1.3 -9.76 -0.84 0
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397578 135030415 2 NSC5H7 ABC5D7 45.61 6.01 -8.54 -0.84 0
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397579 135030416 1 O2F3S3C13H17 A2B3C3D13E17 -261.16 6.63 -9.13 -0.99 0
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397580 135030417 1 FNO2H16C22 ABC2D16E22 -41.13 6.71 -8.69 -0.66 0
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397581 135030418 1 ON2H14C20 AB2C14D20 57.52 3.2 -8.82 -0.66 0
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397582 135030420 1 NOSH13C19 ABCD13E19 52.41 3.71 -8.73 -0.63 0
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397583 135030422 1 N2C3H6 A2B3C6 31.07 4.68 -9.7 1.02 0
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397584 135030423 1 N2O3C24H28 A2B3C24D28 -115.0 2.3 -8.74 -0.11 0
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397585 135030424 1 SN2O2C23H34 AB2C2D23E34 -110.84 1.97 -8.6 -0.12 0
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397586 135030425 1 N5C18H25 A5B18C25 65.05 6.27 -8.89 -0.04 0
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397587 135030426 1 N5C20H27 A5B20C27 63.89 6.07 -8.62 -0.24 0
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397588 135030427 1 ON5C19H25 AB5C19D25 33.65 5.26 -8.78 -0.42 0
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397589 135030429 1 F2N5C18H23 A2B5C18D23 -26.8 4.58 -9.06 -0.68 0
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397590 135030431 1 N3O3C22H31 A3B3C22D31 -151.35 5.2 -8.96 -0.18 0
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397591 135030432 1 SN3O5C28H37 AB3C5D28E37 -201.17 4.93 -8.51 -0.35 0
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397593 135030434 1 ON3C13H19 AB3C13D19 -28.07 6.14 -8.95 -0.16 0
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397594 135030436 1 SO4H12C20 AB4C12D20 -65.59 2.33 -9.62 -1.01 0
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397595 135030438 2 SH11C19 AB11C19 173.82 0.25 -8.37 -1.3 0
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397596 135030441 1 NBr2H27C34 AB2C27D34 104.46 1.6 -8.08 -1.28 0
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397597 135030444 1 NSiO2C18H29 ABC2D18E29 -119.41 3.14 -8.96 0.2 0
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397598 135030448 1 O4N5C36H45 A4B5C36D45 -112.83 4.02 -9.16 0.07 0
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397599 135030450 2 NOH8C11 ABC8D11 46.67 3.15 -9.31 -0.7 0
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397600 135030451 1 N3H13C17 A3B13C17 113.57 4.45 -8.63 -0.44 0
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397601 135030452 1 OSN2H20C29 ABC2D20E29 101.15 3.17 -8.75 -1.14 0
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397602 135030453 1 Br2H8C9 A2B8C9 38.75 2.35 -9.43 -1.08 0
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397603 135030454 1 S2N4O4C25H34 A2B4C4D25E34 -133.3 7.71 -9.26 -1.5 0
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397604 135030456 2 NO2C10H14 AB2C10D14 -199.61 2.47 -8.74 0.13 0
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397606 135030461 2 BrO2H11C17 AB2C11D17 -0.87 8.36 -9.51 -1.03 0
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397607 135030463 1 NO4C19H19 AB4C19D19 -102.25 1.73 -10.02 -1.47 0
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397608 135030464 1 BrO3C16H19 AB3C16D19 -113.16 1.99 -9.48 -0.06 0
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397609 135030465 1 OH18C20 AB18C20 32.45 1.75 -9.18 0.14 0
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397610 135030466 1 O4C27H32 A4B27C32 -133.54 1.82 -9.18 -0.59 0
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397611 135030468 1 KON2H9C13 ABC2D9E13 -7.42 10.04 -7.0 -0.6 0
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397612 135030469 1 NSO4H21C22 ABC4D21E22 -96.5 4.77 -9.23 -0.89 0
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397613 135030470 1 SSiN2F3O5C15H17 ABC2D3E5F15G17 -314.51 2.05 -9.17 -1.23 0
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397614 135030471 1 SN3O4H21C24 AB3C4D21E24 -47.99 9.94 -8.87 -0.9 -1
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397615 135030472 1 SeSiC5H13 ABC5D13 -17.32 2.11 0.0 0.0 0
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397616 135030473 2 NOC8H9 ABC8D9 -41.73 2.67 -9.81 -0.97 0
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397617 135030474 1 N2O2C17H20 A2B2C17D20 -51.53 3.4 -9.45 -0.89 0
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397618 135030476 1 BrNOSH14C16 ABCDE14F16 9.78 4.44 -9.31 -0.99 0
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397619 135030477 1 FNH24C33 ABC24D33 99.74 3.45 -8.3 -0.24 0
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397620 135030478 1 NH27C34 AB27C34 163.24 2.03 -8.04 0.06 0
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397621 135030479 1 ClNH26C34 ABC26D34 152.3 3.63 -8.15 -0.07 0
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397622 135030483 1 N3O3C18H23 A3B3C18D23 -120.98 3.51 -8.95 -0.61 0
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397623 135030484 1 SO3C15H22 AB3C15D22 -116.62 2.73 -8.35 -0.02 1
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397624 135030485 1 S2F3O5C16H22 A2B3C5D16E22 -370.52 4.81 0.0 0.0 -1
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397625 135030486 1 SC3H7 AB3C7 62.25 2.02 0.0 0.0 -1
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397626 135030487 1 C12H13 A12B13 42.24 0.79 0.0 0.0 0
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397627 135030488 1 NOH21C24 ABC21D24 56.0 2.64 -8.5 -0.61 0
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397629 135030490 1 BrNOH14C17 ABCD14E17 36.59 2.98 -8.77 -0.78 0
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397630 135030491 1 FNH12C15 ABC12D15 3.71 3.08 -8.92 -0.81 1
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397631 135030493 1 ON3C26H32 AB3C26D32 70.0 17.7 0.0 0.0 0
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397632 135030494 1 ON3C26H31 AB3C26D31 40.01 5.48 -8.64 -0.49 0
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397633 135030495 1 O2F3S3C13H17 A2B3C3D13E17 -259.32 7.81 -9.02 -0.84 0
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397634 135030496 1 SiO4C21H30 AB4C21D30 -188.89 0.3 -8.85 -0.16 0
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397635 135030497 1 Si2O4C27H44 A2B4C27D44 -255.48 1.26 -8.76 -0.1 0
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397636 135030498 1 SiO4C21H30 AB4C21D30 -186.79 0.17 -8.84 -0.1 0
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397637 135030499 1 BIO2C11H18 ABC2D11E18 -140.94 4.63 -9.07 -0.66 0
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397638 135030500 1 BO4C22H33 AB4C22D33 -204.93 4.01 -8.79 -0.27 0
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397639 135030501 1 BO4C22H35 AB4C22D35 -248.21 4.66 -8.58 -0.08 0
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397640 135030502 1 N2O3C16H16 A2B3C16D16 1.79 9.71 -8.95 -0.99 0
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397641 135030504 1 NSiO4C16H25 ABC4D16E25 -193.08 3.51 -9.57 -0.77 1