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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412518 135085413 1 AuSbN3O3F6C31H35 ABC3D3E6F31G35 -322.48 10.9 -9.28 -2.65 0
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412522 135085417 1 FeP2C36H64 AB2C36D64 183.76 4.39 -7.13 0.18 0
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412524 135085419 2 NH16C18 AB16C18 140.03 2.22 -8.33 0.03 0
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412525 135085420 1 ClCuN2H32C36 ABC2D32E36 157.66 6.25 -8.49 -0.41 0
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412527 135085422 1 OPPtSi2C20H47 ABCD2E20F47 -96.16 4.44 -7.8 -1.32 1
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412528 135085423 1 NPPdO2C20H39 ABCD2E20F39 -38.8 2.74 0.0 0.0 0
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412529 135085424 1 PH27C48 AB27C48 184.57 1.25 -8.11 -1.1 2
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412530 135085425 1 ONi2N8C21H21 AB2C8D21E21 288.71 14.76 0.0 0.0 0
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412531 135085426 2 RhO4C16H26 AB4C16D26 -506.68 36.68 -9.75 -4.3 0
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412532 135085427 2 O2C8H13 A2B8C13 -219.78 1.32 -9.06 0.39 0
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412533 135085428 1 NiN6C19H20 AB6C19D20 174.7 4.29 -7.13 -0.44 0
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412534 135085429 1 PN3C19H40 AB3C19D40 -86.51 3.26 -7.83 1.94 0
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412535 135085430 1 ZnH2O2C16F34 AB2C2D16E34 -1795.28 3.18 -9.96 -2.09 0
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412536 135085432 1 NSBr2O3C10H11 ABC2D3E10F11 -98.03 7.81 -10.24 -1.38 -1
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412537 135085433 1 PSi2O4H40C56 AB2C4D40E56 -42.9 4.59 0.0 0.0 0
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412538 135085434 1 PO2C52H61 AB2C52D61 -125.82 2.67 -8.62 -0.61 0
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412539 135085435 1 PO2Si2C70H101 AB2C2D70E101 -238.19 3.04 -8.42 -0.47 0
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412542 135085438 1 CoO2N4C44H62 AB2C4D44E62 -122.79 24.39 0.0 0.0 0
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412543 135085439 2 ON2C22H31 AB2C22D31 -69.11 2.33 -8.14 -0.69 2
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412545 135085441 1 O2P2C37H51 A2B2C37D51 -74.27 2.13 0.0 0.0 2
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412547 135085443 1 PdN2O2H23C27 AB2C2D23E27 144.93 2.97 0.0 0.0 0
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412548 135085444 1 MnS2F6N6O6C38H46 AB2C6D6E6F38G46 -388.41 13.55 0.0 0.0 0
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412549 135085445 2 N3C18H23 A3B18C23 116.84 7.89 -8.37 0.07 0
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412551 135085447 1 N3O5C20H37 A3B5C20D37 -268.41 4.02 -9.67 0.4 0
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412552 135085448 1 IN2O4C26H27 AB2C4D26E27 -64.44 7.66 -8.65 -0.82 0
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412553 135085449 1 O2N3C35H47 A2B3C35D47 -50.57 7.72 -7.79 -1.18 -1
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412555 135085451 1 AuClN2C9H12 ABC2D9E12 74.97 10.25 -9.36 -1.44 0
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412556 135085452 1 CaP2O8H48C68 AB2C8D48E68 -122.3 8.57 -5.27 -2.38 0
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412557 135085453 1 CaP2O12H48C68 AB2C12D48E68 -363.93 40.99 -7.06 -2.8 0
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412561 135085457 1 LiSO3C10H11 ABC3D10E11 -90.21 6.13 -7.89 -0.08 3
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412563 135085460 1 N2O2F6C30H31 A2B2C6D30E31 -306.71 3.92 0.0 0.0 3
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412565 135085462 1 O2N3C30H45 A2B3C30D45 -62.09 3.62 -8.41 -0.67 1
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412566 135085463 1 NC13H14 AB13C14 35.64 1.63 0.0 0.0 0
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412567 135085464 1 O2C13H24 A2B13C24 -128.29 1.95 -10.01 0.71 0
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412568 135085465 1 NO2C13H13 AB2C13D13 -46.06 2.4 -9.9 -1.3 0
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412569 135085466 1 OSC11H12 ABC11D12 30.01 3.27 -8.08 -0.33 0
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412570 135085467 1 NF3H10C13 AB3C10D13 -114.51 3.11 -9.74 -0.78 0
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412571 135085468 1 NO3C13H17 AB3C13D17 -78.72 2.55 -9.3 -0.43 0
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412572 135085469 1 NO2C12H15 AB2C12D15 -32.42 1.74 -8.67 -0.05 0
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412573 135085470 1 O3H12C14 A3B12C14 -42.96 2.08 -9.62 -0.59 0
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412574 135085471 1 O2H12C13 A2B12C13 -17.77 4.84 -9.27 -0.64 0
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412575 135085472 1 NO2C9H17 AB2C9D17 -63.74 2.77 -9.46 0.52 0
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412576 135085473 1 ON2C7H8 AB2C7D8 23.56 5.28 -9.54 -0.46 1
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412577 135085474 1 ON2C7H9 AB2C7D9 24.08 3.54 0.0 0.0 1
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412578 135085475 1 ON2C13H13 AB2C13D13 61.42 2.53 0.0 0.0 0
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412579 135085476 1 Cl2N2H6C11 A2B2C6D11 46.18 0.91 -8.99 -1.03 0
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412580 135085477 1 BrNOH10C11 ABCD10E11 1.87 2.38 -8.95 -1.01 0
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412581 135085478 1 ClON2C14H15 ABC2D14E15 -6.64 1.69 -8.4 -0.54 0
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412582 135085479 1 ClNRuO2C12H24 ABCD2E12F24 106.05 15.35 -7.03 -5.09 0
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412583 135085480 1 ORuN2C23H31 ABC2D23E31 87.03 5.03 0.0 0.0 0
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412584 135085481 1 RuSN2O4C16H29 ABC2D4E16F29 -44.54 4.1 0.0 0.0 0
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412585 135085482 1 SN2O3C15H26 AB2C3D15E26 -134.14 5.66 -9.47 0.61 0
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412587 135085484 1 AuS2N3O4F6C29H36 AB2C3D4E6F29G36 -301.41 5.25 -9.04 -2.07 0
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412589 135085486 1 ON2H30C32 AB2C30D32 52.39 6.71 -7.95 -0.87 0
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412590 135085487 1 AgSN2F3O3H12C15 ABC2D3E3F12G15 -371.21 17.74 -8.9 -3.66 0
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412592 135085489 1 RhSbP2F6H22C25 ABC2D6E22F25 -166.8 19.55 -9.54 -4.11 -2
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412596 135085493 1 OSN4C32H50 ABC4D32E50 -66.96 6.21 -8.07 0.36 1
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412597 135085494 1 PdCl2P2C27H49 AB2C2D27E49 37.89 8.0 0.0 0.0 1
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412598 135085495 1 ClPdP2N5C27H61 ABC2D5E27F61 -68.71 14.25 0.0 0.0 0
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412600 135085497 1 NOC16H26 ABC16D26 -0.98 1.18 0.0 0.0 0
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412601 135085498 1 NOC16H27 ABC16D27 -17.34 3.48 -9.15 0.52 2
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412602 135085499 1 N2Zn2O3C45H52 A2B2C3D45E52 51.82 12.07 -6.54 -1.87 0
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412603 135085500 1 ZnN2O2C36H54 AB2C2D36E54 -78.24 3.75 -8.0 -1.68 0
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412605 135085502 1 BiC3S3H8F9O13 AB3C3D8E9F13 -1079.22 5.39 -11.57 -2.46 0
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412606 135085503 1 PC21H31 AB21C31 -38.27 0.43 -8.28 0.49 -1
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412607 135085504 1 ClNiP2N3C44H44 ABC2D3E44F44 171.09 13.55 -6.84 -2.27 0
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412608 135085505 1 P2N3C44H45 A2B3C44D45 118.04 1.95 -7.24 -0.7 0
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412609 135085506 1 ON2P2Pd2C39H40 AB2C2D2E39F40 212.37 6.67 -6.41 0.01 2
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412610 135085507 1 ORuCl2N2P2H44C52 ABC2D2E2F44G52 1200.68 26.33 -5.06 -1.41 0
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412612 135085509 1 OSN5C43H43 ABC5D43E43 115.86 4.35 -8.61 -0.75 0
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412613 135085510 2 NO2C48H71 AB2C48D71 -256.58 2.52 -8.7 0.24 3
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412614 135085511 1 RuP3C42H45 AB3C42D45 185.17 38.11 -5.77 -1.72 0
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412615 135085512 1 CaC2H2N2S2O4F6 AB2C2D2E2F4G6 -487.01 3.59 -10.54 -0.86 0
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412616 135085513 2 NC12H25 AB12C25 -96.13 1.41 -8.47 2.82 3
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412617 135085514 1 AlHgH3 ABC3 -28.34 1.97 -8.97 0.13 -1
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412618 135085515 1 ClTiO4C39H44 ABC4D39E44 -67.99 8.05 0.0 0.0 0
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412619 135085516 1 PK3O9H10 AB3C9D10 -647.81 17.58 -8.27 0.78 0
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412620 135085517 1 O5C11H12 A5B11C12 -192.4 5.27 -10.33 -1.0 0
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412621 135085518 1 O2S2N3H7C9 A2B2C3D7E9 81.32 3.38 -9.16 -1.77 0
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412622 135085519 1 AgO4C11H15 AB4C11D15 -160.34 3.19 -8.39 -4.27 0
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412623 135085520 1 O4C11H16 A4B11C16 -161.4 0.5 -10.6 0.5 1
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412624 135085521 1 PO4C10H12 AB4C10D12 -156.19 1.84 0.0 0.0 0
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412625 135085522 1 NO2C13H15 AB2C13D15 -19.01 2.93 -8.38 -0.1 0
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412626 135085523 2 C7H9 A7B9 68.48 1.84 -8.41 0.77 1
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412627 135085524 1 FN2H10C12 AB2C10D12 18.96 6.01 0.0 0.0 0
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412628 135085525 1 BN2O2C13H21 AB2C2D13E21 -132.53 4.44 -9.03 0.82 0
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412629 135085526 1 S2O3C9H14 A2B3C9D14 -106.68 1.91 -8.69 -1.04 0
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412630 135085527 2 NO3C8H15 AB3C8D15 -265.16 2.71 -8.95 0.51 0
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412631 135085528 1 NO2C18H35 AB2C18D35 -156.53 2.58 -9.46 1.0 0
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412632 135085529 1 ClN2O2C45H49 AB2C2D45E49 -31.88 12.84 -8.43 -1.58 0
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412633 135085530 1 NO4C23H31 AB4C23D31 -119.76 3.93 -8.49 -0.04 0
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412634 135085531 1 BrFON2C26H28 ABCD2E26F28 -7.67 11.52 -7.55 -1.59 1
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412635 135085532 1 FON2C26H28 ABC2D26E28 5.57 2.32 0.0 0.0 0
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412636 135085533 2 RhH3O4C9F14 AB3C4D9E14 -1527.72 11.21 -10.13 -6.98 0
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412638 135085535 1 ClRuC20H28 ABC20D28 6.51 5.98 0.0 0.0 2
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412641 135085538 1 ClNiO2P2H25C30 ABC2D2E25F30 -33.53 10.32 -8.4 -0.91 0
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412642 135085539 1 AlC3S3O13H17 AB3C3D13E17 -770.29 3.76 -11.13 0.14 0
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412643 135085540 1 CuN2Si2O6C26H42 AB2C2D6E26F42 -313.86 1.11 0.0 0.0 0
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412644 135085541 2 NSiO3C13H21 ABC3D13E21 -394.98 1.97 -8.36 0.7 0
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412645 135085542 1 N4O5C40H58 A4B5C40D58 -244.89 6.4 -7.83 -0.37 1