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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394638 135023364 1 N2H21C23 A2B21C23 119.86 1.27 0.0 0.0 0
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394640 135023371 1 NSO3C19H25 ABC3D19E25 -50.05 6.04 -9.62 -0.55 0
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394641 135023379 1 SiO2C19H30 AB2C19D30 -149.55 3.39 -8.93 -0.54 0
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394642 135023380 1 OC12H16 AB12C16 -42.56 4.08 -9.09 0.18 0
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394643 135023381 1 OC9H14 AB9C14 2.1 1.76 -9.9 1.13 0
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394644 135023383 2 OC12H15 AB12C15 -67.53 4.82 -9.0 0.1 0
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394645 135023384 1 O4N5C23H35 A4B5C23D35 -141.95 2.82 -9.19 -0.68 0
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394646 135023389 1 SiN2O5C29H54 AB2C5D29E54 -315.87 3.79 -8.81 0.38 0
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394648 135023394 1 O2N3F9H10C24 A2B3C9D10E24 -326.2 12.65 -8.73 -2.1 0
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394649 135023395 1 O2N3F5H12C18 A2B3C5D12E18 -204.56 4.39 -9.32 -1.38 0
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394651 135023404 1 SiO3C27H32 AB3C27D32 -125.96 2.2 -9.07 0.02 0
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394652 135023406 1 O3C22H28 A3B22C28 -123.2 3.26 -9.28 0.02 0
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394653 135023407 1 ClN4O4H19C23 AB4C4D19E23 -33.1 7.54 -9.32 -1.13 0
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394654 135023411 1 OC10H14 AB10C14 -30.42 3.22 -8.82 0.2 0
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394655 135023427 2 OC7H9 AB7C9 -49.4 1.51 -9.56 -0.65 0
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394656 135023429 1 OF6H12C17 AB6C12D17 -318.33 4.97 -10.22 -0.94 0
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394657 135023430 1 OCl2F3H11C16 AB2C3D11E16 -174.47 3.49 -9.7 -0.84 4
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394659 135023444 1 ON4H12C18 AB4C12D18 136.92 4.53 -9.77 -0.46 0
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394660 135023452 1 SiO3C13H28 AB3C13D28 -232.88 5.08 -9.21 0.84 0
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394661 135023453 2 H7C10 A7B10 201.22 0.85 -7.81 -1.04 0
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394662 135023454 1 OC14H18 AB14C18 -43.44 4.19 -8.92 -0.12 0
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394663 135023456 1 NO2H27C28 AB2C27D28 40.29 4.56 -8.56 -0.14 0
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394664 135023458 1 CuFe2O4H6 AB2C4D6 31.66 2.3 0.0 0.0 0
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394665 135023465 2 O3C8H12 A3B8C12 -240.38 5.77 -9.61 -0.49 0
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394666 135023468 1 NOF3H12C15 ABC3D12E15 -145.23 4.47 -10.14 -0.79 0
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394667 135023469 1 O2H28C51 A2B28C51 817.27 8.09 -7.84 -2.03 0
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394668 135023472 2 OC16H16 AB16C16 73.88 0.89 -8.25 -0.94 0
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394669 135023474 4 OH4C6 AB4C6 21.97 3.72 -8.4 -1.2 0
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394670 135023483 1 N2O4H22C25 A2B4C22D25 -40.97 6.62 -8.97 -0.74 0
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394671 135023484 1 O2C7H12 A2B7C12 -85.2 3.48 -9.76 0.69 0
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394672 135023485 1 OC8H10 AB8C10 0.63 4.55 -9.39 -0.42 0
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394673 135023487 1 NSSiO5C29H49 ABCD5E29F49 -297.41 2.88 -8.82 -0.84 0
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394674 135023488 1 SiO3C21H36 AB3C21D36 -192.02 2.38 -8.89 0.19 0
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394675 135023489 1 SiO4C25H44 AB4C25D44 -246.09 0.97 -8.85 0.38 0
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394676 135023490 1 NS3O17C53H75 AB3C17D53E75 -739.65 9.47 -9.32 -0.15 0
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394677 135023491 1 NSiO8C39H61 ABC8D39E61 -449.35 4.16 -9.09 -0.24 0
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394678 135023493 1 OC14H22 AB14C22 -50.11 2.08 -9.58 1.05 0
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394679 135023494 1 NSO4C22H25 ABC4D22E25 -109.27 5.18 -9.4 -0.48 0
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394680 135023495 1 ClNSO4C22H24 ABCD4E22F24 -118.89 5.81 -9.43 -0.77 0
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394681 135023496 1 NSCl2O4C22H23 ABC2D4E22F23 -124.17 6.7 -9.45 -1.1 0
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394682 135023497 1 NSCl2O4C22H23 ABC2D4E22F23 -123.61 6.89 -9.48 -1.1 0
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394683 135023500 1 ON6C19H20 AB6C19D20 93.9 3.15 -9.31 -0.68 0
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394684 135023501 1 O3N7C15H19 A3B7C15D19 28.99 10.59 -9.19 -1.35 0
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394687 135023506 1 PO5C16H21 AB5C16D21 -232.91 4.04 -9.69 -0.09 -1
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394690 135023539 1 N2O2H14C15 A2B2C14D15 9.66 1.87 -8.84 -0.92 1
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394691 135023542 1 ON3F10H10C24 AB3C10D10E24 -338.01 5.68 0.0 0.0 0
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394692 135023547 1 ClO2N3H22C25 AB2C3D22E25 14.18 4.32 -8.53 -0.26 0
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394693 135023549 1 IOC18H19 ABC18D19 42.04 4.19 -9.51 -1.01 0
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394694 135023550 1 IO2C20H23 AB2C20D23 -6.52 2.26 -9.3 -0.82 0
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394695 135023551 2 NOC10H12 ABC10D12 -66.67 1.11 -8.93 -0.2 0
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394696 135023552 1 NSSiO3C17H27 ABCD3E17F27 -152.14 7.19 -9.07 -0.47 0
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394697 135023555 1 SiO5C19H40 AB5C19D40 -327.7 2.8 -9.05 0.94 0
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394698 135023559 1 N3O4H13C14 A3B4C13D14 32.04 2.51 -10.27 -1.76 0
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394699 135023561 1 O9C19H30 A9B19C30 -429.28 3.0 -9.78 -0.23 0
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394700 135023567 1 N2O2C19H20 A2B2C19D20 21.03 3.1 -8.71 -0.65 0
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394701 135023569 1 CuON2C21H29 ABC2D21E29 56.37 5.67 -8.29 -0.02 0
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394702 135023572 1 ClON2H11C13 ABC2D11E13 49.23 4.52 -8.76 -1.25 0
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394703 135023576 2 OH13C30 AB13C30 424.3 5.37 -8.18 -1.86 0
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394704 135023577 1 NOC17H19 ABC17D19 -13.35 2.37 -8.17 -0.01 0
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394705 135023579 1 NOH15C19 ABC15D19 33.22 1.81 -8.53 -0.58 0
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394706 135023582 1 NOH17C19 ABC17D19 16.79 2.94 -8.34 -0.63 0
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394707 135023587 2 BrC11H12 AB11C12 -1.9 0.99 -9.05 -0.5 0
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394708 135023589 1 NOH23C29 ABC23D29 72.74 2.64 -8.51 -0.68 0
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394709 135023595 1 N2O3C20H20 A2B3C20D20 -76.42 8.8 -8.8 -0.86 0
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394710 135023598 1 SiO2C17H28 AB2C17D28 -103.78 0.83 -8.84 -0.58 0
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394711 135023599 2 O3H11C13 A3B11C13 -91.04 2.14 -8.36 -0.92 0
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394712 135023601 1 SN2H12C20 AB2C12D20 128.92 3.85 -9.1 -1.19 0
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394713 135023602 1 NO5C28H51 AB5C28D51 -304.9 3.54 -10.0 0.31 0
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394714 135023604 1 SiN2O2C23H32 AB2C2D23E32 -84.42 3.46 -8.78 -0.68 0
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394715 135023605 1 GeC13H20 AB13C20 12.35 0.93 -8.8 0.13 0
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394716 135023606 1 SO2N5C13H17 AB2C5D13E17 -4.53 6.49 -9.3 -0.49 1
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394717 135023611 1 N4F5O5H24C27 A4B5C5D24E27 -328.19 4.91 0.0 0.0 0
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394718 135023623 1 BrNO2H18C23 ABC2D18E23 18.16 3.85 -8.72 -0.82 0
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394719 135023629 1 SiO2C19H30 AB2C19D30 -80.55 6.75 -9.03 0.01 0
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394720 135023634 2 NH9C11 AB9C11 126.86 1.93 -8.72 -0.24 0