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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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446601 135276299 1 FNCl2O3H18C21 ABC2D3E18F21 -127.25 3.4 -9.04 -0.8 0
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446602 135276310 1 O3N7C25H37 A3B7C25D37 -91.04 3.75 -8.59 -0.81 0
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446603 135276315 1 O4N7C27H41 A4B7C27D41 -131.39 5.38 -8.59 -0.84 0
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446604 135276319 1 O2N6F7C19H19 A2B6C7D19E19 -352.15 6.88 -8.71 -0.92 0
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446605 135276334 2 ON4C11H14 AB4C11D14 10.44 3.65 -8.93 -1.29 0
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446606 135276337 1 O4N6C23H34 A4B6C23D34 -122.14 5.91 -8.2 -0.79 0
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446607 135276349 1 O3N6C28H38 A3B6C28D38 -61.51 2.92 -8.73 -0.72 0
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446608 135276355 1 FO2N6C25H31 AB2C6D25E31 -42.03 3.92 -8.77 -0.78 0
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446609 135276357 1 O4N6C23H26 A4B6C23D26 -51.68 6.55 -8.28 -0.86 0
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446610 135276368 1 FON6C18H23 ABC6D18E23 -27.49 1.67 -8.68 -1.1 0
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446611 135276378 1 O2N6C27H36 A2B6C27D36 -38.56 2.12 -8.66 -0.65 0
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446612 135276381 3 ON2C9H12 AB2C9D12 -82.51 2.93 -8.76 -0.74 0
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446613 135276388 1 ON6C21H30 AB6C21D30 -5.93 6.67 -8.36 -0.68 0
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446614 135276390 1 NOC13H19 ABC13D19 -38.5 4.02 -8.99 0.26 0
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446615 135276391 1 ON6C22H30 AB6C22D30 14.85 1.48 -8.69 -0.32 0
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446616 135276401 1 O3N6C20H28 A3B6C20D28 -65.98 4.39 -8.33 -0.94 0
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446617 135276408 3 ON2C7H10 AB2C7D10 -71.42 5.02 -8.39 -0.77 0
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446618 135276419 1 O3N6C28H40 A3B6C28D40 -84.74 3.88 -8.72 -0.44 0
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446619 135276435 1 O2N8C23H34 A2B8C23D34 -48.97 9.38 -8.53 -0.79 0
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446620 135276438 1 O4N6C23H34 A4B6C23D34 -103.73 8.66 -8.24 -0.84 0
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446621 135276448 1 ON6C26H36 AB6C26D36 18.74 3.68 -8.66 -0.27 0
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446622 135276467 1 O3N6C26H30 A3B6C26D30 -38.8 3.96 -8.67 -1.06 0
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446623 135276470 1 SO2N6C20H28 AB2C6D20E28 -13.36 1.87 -8.6 -1.07 0
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446624 135276473 1 O3N6C22H34 A3B6C22D34 -57.15 1.43 -7.81 -0.53 0
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446625 135276488 1 ON6C16H22 AB6C16D22 33.09 5.59 -8.53 -0.78 0
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446626 135276489 1 FO3N5C26H30 AB3C5D26E30 -59.69 3.61 -8.61 -0.82 0
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446627 135276491 3 ON2C7H10 AB2C7D10 -82.56 4.67 -8.6 -0.83 0
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446628 135276497 1 FO3N6C20H27 AB3C6D20E27 -119.35 3.13 -8.64 -1.02 0
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446629 135276502 1 O3N8C27H40 A3B8C27D40 -88.8 6.61 -8.16 -0.48 0
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446630 135276508 1 NOC12H21 ABC12D21 -14.94 3.11 -8.25 1.3 0
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446631 135276524 1 ClO2N6C27H35 AB2C6D27E35 -16.18 2.9 -8.9 -0.86 0
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446632 135276528 1 OF5N5H14C19 AB5C5D14E19 -193.13 6.82 -9.8 -1.65 0
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446633 135276530 1 FO3N7C23H24 AB3C7D23E24 -28.15 9.12 -8.42 -1.16 0
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446634 135276536 1 INOSC2H6 ABCDE2F6 -38.97 4.26 -8.86 -2.02 0
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446635 135276539 2 ON3C14H19 AB3C14D19 -22.67 4.28 -8.73 -0.72 0
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446636 135276541 1 FO3N7C26H34 AB3C7D26E34 -97.83 4.03 -8.96 -0.58 0
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446637 135276564 1 O3N6C27H34 A3B6C27D34 -25.64 2.53 -8.75 -0.74 0
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446638 135276568 2 OSC7H11 ABC7D11 -101.53 6.96 -9.4 -0.57 0
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446639 135276580 1 PN2O5C21H43 AB2C5D21E43 -343.15 1.03 -8.81 0.54 0
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446640 135276581 1 FNO5H22C27 ABC5D22E27 -93.21 7.2 -9.25 -1.18 0
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446641 135276597 4 OH3C4 AB3C4 -84.58 3.44 -9.38 -1.18 0
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446642 135276600 2 O2C5H7 A2B5C7 -157.58 4.35 -9.74 -1.02 0
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446643 135276603 1 ON7H23C24 AB7C23D24 126.55 11.62 -8.47 -1.93 0
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446644 135276610 1 O2S2C11H16 A2B2C11D16 -83.92 3.23 -9.48 -0.73 0
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446645 135276612 1 NO3C13H17 AB3C13D17 -111.6 3.59 -9.46 -0.11 0
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446646 135276615 1 NPS2O4C21H42 ABC2D4E21F42 -303.55 2.26 -8.77 -0.16 0
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446647 135276626 2 N3O3C21H26 A3B3C21D26 -231.98 7.02 -8.16 -0.6 0
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446648 135276631 1 NSO4H11C15 ABC4D11E15 -89.89 7.32 -8.8 -1.88 0
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446649 135276646 1 OC21H32 AB21C32 -63.47 1.0 -8.32 0.61 0
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446650 135276653 1 OC20H30 AB20C30 -73.72 2.02 -8.6 0.33 0
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446651 135276665 1 ClN3O4C22H22 AB3C4D22E22 -36.68 6.16 -9.31 -1.59 0
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446652 135276666 1 ClN3O4C22H22 AB3C4D22E22 -33.92 5.85 -9.4 -1.67 0
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446653 135276667 1 ON9H23C26 AB9C23D26 188.16 12.86 -8.45 -2.16 0
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446654 135276675 1 FN5O10C22H44 AB5C10D22E44 -517.21 2.02 -9.51 0.42 0
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446655 135276677 1 F3O3N6H25C26 A3B3C6D25E26 -116.62 10.83 -8.2 -1.22 0
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446656 135276681 1 O2F3N6H19C21 A2B3C6D19E21 -74.99 11.89 -8.68 -1.09 0
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446657 135276692 2 N3O6C12H23 A3B6C12D23 -557.57 5.33 -9.34 0.66 0
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446658 135276693 1 FN5O9C21H40 AB5C9D21E40 -465.05 3.96 -9.55 0.83 0
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446659 135276698 1 OSF2C5H6 ABC2D5E6 -129.8 3.14 -8.62 -0.01 0
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446660 135276706 1 ON3C17H21 AB3C17D21 -12.87 4.17 -8.3 -0.09 0
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446661 135276739 1 N5O11C22H43 A5B11C22D43 -501.59 4.99 -9.41 0.59 0
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446662 135276746 1 SO2N4C28H34 AB2C4D28E34 -17.63 7.17 -8.52 -0.62 0
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446663 135276771 1 ClOSN4H11C17 ABCD4E11F17 86.02 5.79 -9.01 -1.39 0
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446664 135276777 1 NNaSO5C8H16 ABCD5E8F16 -229.65 5.09 -9.91 0.08 0
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446665 135276782 1 ClSO4H11C15 ABC4D11E15 -112.84 4.94 -9.41 -1.25 -1
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446666 135276783 1 SN4O4C26H31 AB4C4D26E31 -69.71 5.99 0.0 0.0 0
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446667 135276792 1 OSN4C23H28 ABC4D23E28 173.13 2.9 -5.76 -1.58 0
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446668 135276794 5 H4C5 A4B5 89.56 1.03 -8.6 -0.19 0
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446669 135276807 1 OH18C24 AB18C24 57.54 1.52 -8.53 -0.3 0
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446670 135276817 1 OCl2N2C7H8 AB2C2D7E8 -4.58 3.54 -9.96 -1.49 0
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446671 135276826 1 OSN4C28H34 ABC4D28E34 19.75 5.25 -8.46 -0.75 0
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446672 135276828 1 N6O13C24H46 A6B13C24D46 -588.58 6.2 -9.45 0.32 0
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446673 135276840 1 N8O11C24H48 A8B11C24D48 -474.34 3.49 -9.32 0.48 0
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446674 135276843 2 N2O5C9H17 A2B5C9D17 -459.54 3.98 -9.6 0.69 0
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446675 135276859 1 N4O10C17H32 A4B10C17D32 -451.4 3.83 -9.63 0.65 0
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446676 135276860 1 OSN2H8C11 ABC2D8E11 49.22 1.85 -8.59 -1.26 0
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446677 135276862 1 O3N5C22H29 A3B5C22D29 3.36 4.02 -8.93 -1.18 0
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446678 135276878 1 NOC17H23 ABC17D23 -26.0 3.53 -9.53 -0.39 0
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446679 135276880 1 OC15H18 AB15C18 -2.17 2.92 -9.46 -0.53 0
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446680 135276881 2 OC8H11 AB8C11 -68.03 3.57 -8.69 -0.6 0
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446681 135276903 2 OC8H10 AB8C10 -60.62 2.01 -9.48 -0.7 0
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446682 135276906 1 N2O2C29H54 A2B2C29D54 -135.34 3.48 -8.11 0.74 0
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446683 135276918 1 O2N5F6C26H29 A2B5C6D26E29 -332.08 3.7 -9.01 -1.26 0
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446684 135276923 1 NSO2C18H37 ABC2D18E37 -156.25 5.36 -9.41 0.5 0
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446685 135276924 1 O3N4F6C27H32 A3B4C6D27E32 -363.48 4.12 -9.08 -1.13 0
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446686 135276926 1 ON2C27H30 AB2C27D30 46.05 5.51 -8.53 -0.25 0
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446687 135276928 2 NOC13H14 ABC13D14 -2.82 7.23 -8.99 -0.61 0
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446688 135276934 1 ON2H18C21 AB2C18D21 23.05 4.53 -7.84 -0.21 0
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446689 135276939 1 FO2N4C24H27 AB2C4D24E27 -83.91 3.94 -9.28 -0.34 0
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446690 135276944 1 N9O11C27H51 A9B11C27D51 -481.71 10.26 -8.99 0.42 0
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446691 135276948 1 NC14H29 AB14C29 -56.16 1.39 -8.3 2.98 0
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446692 135276952 1 O4N6C25H38 A4B6C25D38 -156.87 6.41 -9.18 -0.39 0
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446693 135276958 1 NO3C20H39 AB3C20D39 -200.63 3.51 -8.41 0.77 0
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446694 135276964 1 N5O5C34H49 A5B5C34D49 -196.39 6.04 -9.38 0.2 0
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446695 135276976 1 OSN4C18H22 ABC4D18E22 63.16 5.25 -8.82 -0.95 0
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446696 135276984 1 F3N3O4C31H40 A3B3C4D31E40 -301.13 1.32 -8.04 0.03 0
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446697 135276990 1 FC18H29 AB18C29 -79.12 0.74 -9.23 0.34 0
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446698 135276994 1 OF2C7H14 AB2C7D14 -182.13 3.26 -10.76 2.08 0
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446699 135277003 1 BrF2N2C21H21 AB2C2D21E21 -51.89 3.14 -8.39 -0.41 0
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446700 135277012 1 BrFO2C10H10 ABC2D10E10 -108.88 2.4 -9.57 -0.56 0