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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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320499 126661463 1 N2C9H20 A2B9C20 -7.27 1.54 -8.27 3.1 0
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320500 126661470 1 SO2N3C15H17 AB2C3D15E17 6.02 3.08 -8.59 -1.04 0
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320501 126661472 1 OSN3C26H33 ABC3D26E33 14.1 9.3 -8.24 -0.88 0
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320502 126661475 1 SN3C14H17 AB3C14D17 54.01 4.0 -8.58 -0.93 0
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320503 126661477 1 OS3N4C19H20 AB3C4D19E20 61.64 4.43 -8.62 -1.41 0
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320504 126661478 1 PC11H23 AB11C23 -38.71 1.68 -8.51 2.9 0
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320505 126661480 1 NC10H19 AB10C19 -0.06 1.39 -8.39 1.16 0
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320506 126661482 1 N2O2C11H20 A2B2C11D20 -96.98 2.82 -9.15 0.87 0
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320507 126661485 1 NC14H19 AB14C19 65.88 1.26 -8.86 0.61 0
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320508 126661486 1 OCl2N2C22H22 AB2C2D22E22 -5.28 3.15 -9.93 -0.86 0
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320509 126661488 1 NC15H25 AB15C25 -2.49 5.22 -9.01 -0.3 0
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320510 126661528 1 O3S3N4C21H26 A3B3C4D21E26 -56.32 6.42 -8.73 -1.03 0
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320511 126661530 1 O3S3N4C20H22 A3B3C4D20E22 -29.19 7.01 -8.72 -1.06 0
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320512 126661531 1 NOF3H18C20 ABC3D18E20 -122.6 3.69 -9.66 -0.61 0
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320513 126661532 1 ClNOF4C22H22 ABCD4E22F22 -240.94 5.0 -9.75 -1.05 0
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320514 126661540 1 O3S3N6C26H26 A3B3C6D26E26 9.75 8.25 -8.43 -1.26 0
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320515 126661541 1 O2S3N5H25C26 A2B3C5D25E26 36.19 7.23 -8.19 -1.42 0
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320516 126661562 1 ON3C10H15 AB3C10D15 -12.44 3.31 -8.45 0.36 0
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320517 126661565 1 N2O2F3C23H23 A2B2C3D23E23 -189.12 6.24 -9.99 -0.86 0
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320518 126661570 1 OSN2H24C25 ABC2D24E25 59.45 3.23 -8.51 -1.01 0
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320519 126661571 1 N2C13H16 A2B13C16 58.43 4.27 -8.86 -0.27 0
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320520 126661572 1 N5H15C17 A5B15C17 120.11 1.8 -8.2 -0.83 0
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320521 126661573 1 OS2N8C20H22 AB2C8D20E22 132.61 5.01 -8.32 -1.73 0
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320522 126661576 1 SN2C24H30 AB2C24D30 91.18 1.65 -8.4 -0.6 0
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320523 126661577 1 ON4C17H24 AB4C17D24 16.59 3.78 -7.68 0.4 0
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320524 126661578 1 O2S2N4C23H26 A2B2C4D23E26 5.81 7.37 -8.56 -1.49 0
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320525 126661579 1 OSN2C24H28 ABC2D24E28 17.07 2.96 -8.76 -0.33 0
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320526 126661580 1 ON3C23H23 AB3C23D23 110.23 5.62 -8.45 -1.0 0
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320527 126661582 1 NF2O2C21H23 AB2C2D21E23 -144.16 6.39 -8.86 -0.38 0
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320528 126661583 1 NOC12H17 ABC12D17 1.34 4.0 -9.07 -0.15 0
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320529 126661590 1 FOSN6C20H23 ABCD6E20F23 12.28 7.07 -8.52 -1.36 0
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320530 126661600 2 N3H8C10 A3B8C10 162.48 3.01 -8.45 -1.13 0
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320531 126661602 1 NOS2C26H29 ABC2D26E29 18.43 3.27 -9.09 -1.03 0
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320532 126661609 1 SN3H15C16 AB3C15D16 82.29 4.07 -8.37 -0.32 0
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320533 126661610 2 N2H8C9 A2B8C9 122.52 3.87 -8.24 -0.63 0
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320534 126661623 1 N2C15H22 A2B15C22 57.7 4.49 -8.6 -0.07 0
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320535 126661665 1 N3C11H17 A3B11C17 20.05 3.07 -8.21 0.44 0
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320536 126661670 1 BrN2C14H19 AB2C14D19 66.04 4.26 -8.38 0.1 0
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320537 126661686 2 NOC5H9 ABC5D9 -92.31 4.9 -9.31 -0.16 0
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320538 126661687 1 N3O4C16H21 A3B4C16D21 -69.81 6.76 -8.68 -0.75 0
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320539 126661707 2 NC6H8 AB6C8 63.25 7.04 -8.38 -0.34 0
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320540 126661708 1 FN4O4C15H17 AB4C4D15E17 -87.62 4.36 -9.25 -1.24 0
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320541 126661711 1 S3O5N15C47H51 A3B5C15D47E51 85.88 3.99 -8.55 -1.77 0
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320542 126661713 1 NOF4C22H23 ABC4D22E23 -227.47 4.3 -9.62 -0.72 0
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320543 126661714 1 FNOC21H24 ABCD21E24 -65.05 4.85 -9.4 -0.22 0
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320544 126661715 1 ON2H18C19 AB2C18D19 24.71 4.42 -9.28 -0.43 0
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320545 126661716 1 OSC10H10 ABC10D10 1.0 0.58 -8.51 -0.37 0
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320546 126661717 1 O2C23H28 A2B23C28 -58.72 3.04 -8.73 0.14 0
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320547 126661718 1 FON3C21H26 ABC3D21E26 -61.71 2.17 -8.71 -0.21 0
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320548 126661719 1 F3O3S3N17H54C61 A3B3C3D17E54F61 121.09 4.06 -8.54 -1.87 1
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320550 126661722 1 SO2N3C24H25 AB2C3D24E25 10.45 5.73 -8.3 -1.03 0
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320551 126661723 1 ClFOH18C19 ABCD18E19 -65.2 2.49 -9.44 -0.43 0
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320552 126661724 1 FNOC22H24 ABCD22E24 -50.8 5.58 -9.36 -0.13 0
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320553 126661725 1 NOSC23H27 ABCD23E27 -4.51 4.81 -8.6 -0.12 0
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320554 126661726 1 OF2N2H18C19 AB2C2D18E19 -91.43 3.42 -9.74 -0.72 0
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320555 126661727 1 SO27N39C122H183 AB27C39D122E183 -1120.86 15.31 -8.24 -0.96 0
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320556 126661728 1 FNOC21H24 ABCD21E24 -70.0 5.15 -9.1 -0.05 0
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320557 126661729 1 FON2H17C22 ABC2D17E22 88.56 4.46 -9.69 -1.23 0
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320558 126661730 1 OSN2H24C25 ABC2D24E25 51.41 5.05 -8.86 -1.36 0
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320559 126661731 1 NOCl2C21H23 ABC2D21E23 -41.34 4.21 -9.45 -0.46 0
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320560 126661732 1 ON2C10H12 AB2C10D12 6.89 1.75 -8.01 -0.24 0
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320561 126661733 1 FNOH20C21 ABCD20E21 -46.47 2.95 -9.13 -0.31 0
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320562 126661734 1 ClON3C19H22 ABC3D19E22 -9.48 4.34 -9.55 -0.9 0
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320563 126661737 1 SO27N37C122H181 AB27C37D122E181 -1127.78 13.16 -8.69 -1.42 0
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320564 126661742 1 ON2S2C21H22 AB2C2D21E22 29.61 5.39 -8.5 -1.28 0
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320565 126661753 1 FON2H21C22 ABC2D21E22 -14.85 3.56 -9.7 -0.78 0
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320566 126661756 1 FN2C17H17 AB2C17D17 62.17 4.53 -8.05 0.13 0
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320567 126661763 2 NO2C5H6 AB2C5D6 -85.63 6.97 -9.85 -1.44 0
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320568 126661767 1 O5C19H28 A5B19C28 -210.18 4.92 -9.41 -0.02 1
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320569 126661785 1 S4N9O19C69H102 A4B9C19D69E102 -818.16 7.74 0.0 0.0 0
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320570 126661800 1 ON2H20C21 AB2C20D21 23.38 4.15 -9.7 -0.69 0
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320571 126661801 1 FSN2H13C17 ABC2D13E17 86.71 5.05 -8.49 -0.81 0
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320572 126661805 1 OSN2C29H32 ABC2D29E32 65.22 2.82 -8.66 -1.06 0
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320573 126661857 1 NSCl2O2H7C10 ABC2D2E7F10 -41.3 6.85 -9.88 -1.95 0
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320574 126661895 2 N2C5H9 A2B5C9 25.87 2.82 -7.46 0.74 0