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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39553 8141314 1 BrClSN2O2H10C15 ABCD2E2F10G15 7.33 3.58 -8.57 -1.24 0
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39554 8141317 1 SN2O5C18H18 AB2C5D18E18 -102.83 6.17 -8.34 -0.66 0
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39555 8141318 1 SN2O2H16C17 AB2C2D16E17 -6.82 4.04 -8.49 -0.67 0
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39556 8141323 1 SCl2N2O2H10C15 AB2C2D2E10F15 -4.07 3.28 -8.6 -1.16 0
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39557 8141330 1 SN2O4C19H20 AB2C4D19E20 -85.86 5.52 -8.23 -0.66 0
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39558 8141339 1 FSN3O3H14C17 ABC3D3E14F17 -82.91 0.96 -8.72 -0.98 0
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39559 8141340 1 SN2O4H18C19 AB2C4D18E19 -76.89 5.39 -8.89 -1.14 0
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39560 8141341 1 SN3O4H17C18 AB3C4D17E18 -75.59 3.59 -8.77 -1.03 0
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39561 8141344 1 O2S2N3H11C16 A2B2C3D11E16 32.25 2.49 -8.37 -1.62 0
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39562 8141348 1 SN3O3H17C21 AB3C3D17E21 -19.99 2.8 -8.75 -1.0 0
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39563 8141361 1 SN2O3H18C19 AB2C3D18E19 -38.07 4.09 -8.52 -0.74 0
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39564 8141363 1 SO3N4H20C21 AB3C4D20E21 -13.69 1.93 -8.56 -1.2 0
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39565 8141366 1 SN3O3H17C19 AB3C3D17E19 -36.87 5.77 -8.41 -0.73 0
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39566 8141375 1 SN2O3H14C16 AB2C3D14E16 -45.55 4.43 -8.61 -1.0 0
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39567 8141387 1 S2N3O3H13C18 A2B3C3D13E18 9.31 3.13 -8.85 -1.32 0
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39568 8141391 1 S2N3O4H11C18 A2B3C4D11E18 -17.36 3.98 -8.84 -1.29 0
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39569 8141399 1 S2N3O3H15C19 A2B3C3D15E19 1.03 3.29 -8.83 -1.28 0
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39570 8141400 1 S2O3N4H14C19 A2B3C4D14E19 -4.72 3.05 -8.81 -1.3 0
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39571 8141404 1 S2N3O3H17C20 A2B3C3D17E20 -10.52 3.9 -8.82 -1.3 0
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39572 8141411 1 ClO2S2N3H12C18 AB2C2D3E12F18 28.31 4.55 -8.77 -1.22 0
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39573 8141418 1 S2N3O3H17C20 A2B3C3D17E20 -9.95 3.85 -8.8 -1.26 0
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39574 8141419 1 S2N3O3H17C20 A2B3C3D17E20 -8.41 2.84 -8.72 -1.38 0
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39575 8141420 1 O2N3S3H13C18 A2B3C3D13E18 47.73 4.29 -8.72 -1.27 0
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39576 8141421 1 S2N3O3H17C20 A2B3C3D17E20 -9.12 3.31 -8.62 -1.29 0
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39577 8141422 1 O2N3S3H15C19 A2B3C3D15E19 34.85 5.92 -8.72 -1.21 0
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39578 8141425 1 OS2F3N4C14H15 AB2C3D4E14F15 -124.29 4.82 -8.69 -1.2 0
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39579 8141428 1 FN3O4H16C18 AB3C4D16E18 -134.24 5.16 -9.24 -0.74 0
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39580 8141433 1 N4O4H18C21 A4B4C18D21 -57.33 2.23 -9.02 -1.24 0
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39581 8141442 1 OS2N5C18H25 AB2C5D18E25 17.66 5.12 -7.8 -1.01 0
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39582 8141451 1 N3O4C21H23 A3B4C21D23 -104.98 2.48 -9.11 -0.52 0
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39583 8141452 1 N3O5C19H19 A3B5C19D19 -123.86 0.92 -9.22 -0.65 0
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39584 8141453 1 O2S2N5C18H25 A2B2C5D18E25 -21.04 6.66 -7.86 -1.12 0
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39585 8141457 1 O2S2N5C18H25 A2B2C5D18E25 -2.59 7.42 -8.5 -1.04 0
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39586 8141465 1 N3O3C22H29 A3B3C22D29 -117.3 6.75 -7.66 0.08 0
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39587 8141467 1 N3O3C19H25 A3B3C19D25 -105.11 9.88 -8.02 -0.01 0
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39588 8141473 1 N3O4C22H29 A3B4C22D29 -133.25 4.13 -8.62 0.12 0
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39589 8141474 1 N3O6H17C19 A3B6C17D19 -150.38 4.29 -9.17 -0.72 0
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39590 8141478 1 BrN3O5H14C16 AB3C5D14E16 -106.41 2.51 -9.17 -0.99 0
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39591 8141487 1 N3O4C19H19 A3B4C19D19 -96.84 3.58 -9.14 -0.52 0
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39592 8141503 1 ClN3O5C20H20 AB3C5D20E20 -139.06 2.49 -8.96 -0.67 0
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39593 8141507 1 ClN3O5C20H20 AB3C5D20E20 -142.63 0.83 -9.2 -0.69 0
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39594 8141508 1 N3O5C19H21 A3B5C19D21 -102.19 9.89 -9.48 -1.14 0
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39595 8141510 1 N3O5C19H21 A3B5C19D21 -105.78 10.14 -9.48 -1.16 0
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39596 8141539 1 N3O6H19C20 A3B6C19D20 -157.06 3.96 -8.97 -0.53 0
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39597 8141543 1 N3O5C21H23 A3B5C21D23 -137.65 2.3 -9.15 -0.5 0
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39598 8141557 1 SN3O4C20H21 AB3C4D20E21 -100.28 3.1 -8.93 -0.7 0
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39599 8141558 1 SN3O4C20H21 AB3C4D20E21 -96.58 2.7 -9.07 -0.56 0
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39600 8141559 1 FN3O4H18C19 AB3C4D18E19 -145.08 1.71 -9.01 -0.7 0
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39601 8141561 1 N3O5C23H27 A3B5C23D27 -153.25 3.86 -8.76 -0.48 0
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39602 8141562 1 N3O5C23H27 A3B5C23D27 -148.2 3.48 -8.69 -0.53 0
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39603 8141567 1 ClN3O5H16C18 AB3C5D16E18 -140.26 4.23 -9.21 -0.79 0
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39604 8141574 1 N3O5C21H23 A3B5C21D23 -140.86 4.47 -9.01 -0.47 0
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39605 8141576 1 N3O5C21H23 A3B5C21D23 -142.68 4.12 -9.11 -0.43 0
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39606 8141586 1 N3O6C21H23 A3B6C21D23 -169.9 3.22 -8.69 -0.56 0
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39607 8141587 1 SN3O4C20H21 AB3C4D20E21 -97.13 3.26 -8.77 -0.48 0
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39608 8141602 1 F2N2O3H16C17 A2B2C3D16E17 -172.63 6.58 -9.3 -0.65 0
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39609 8141611 1 ClSF2N2O2H11C17 ABC2D2E2F11G17 -119.29 8.43 -9.08 -1.59 0
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39610 8141616 1 SF2N2O2H18C22 AB2C2D2E18F22 -103.26 6.96 -9.08 -0.88 0
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39611 8141623 1 ClF2N2O2C19H19 AB2C2D2E19F19 -161.83 5.3 -9.16 -0.57 0
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39612 8141624 1 F2N2O2C25H26 A2B2C2D25E26 -159.27 7.28 -9.08 -0.39 0
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39613 8141636 1 SF2N2O3H14C20 AB2C2D3E14F20 -134.78 3.1 -8.82 -1.29 0
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39614 8141657 1 SO2N3C24H29 AB2C3D24E29 -75.62 6.04 -8.54 -0.38 0
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39615 8141658 1 ClS2N3O4H10C15 AB2C3D4E10F15 11.53 4.79 -9.07 -1.34 0
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39616 8141669 1 ClN2O2S2H11C14 AB2C2D2E11F14 -1.05 5.86 -8.72 -0.98 0
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39617 8141670 1 ClN2S2O3H13C16 AB2C2D3E13F16 -21.98 5.63 -8.82 -1.09 0
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39618 8141671 1 ClN2S2O3H13C16 AB2C2D3E13F16 -19.58 6.75 -8.75 -1.01 0
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39619 8141672 1 ClN2S2O3H15C17 AB2C2D3E15F17 -26.38 1.35 -8.53 -1.29 0
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39620 8141673 1 ClS2N3O3H14C17 AB2C3D3E14F17 -30.01 5.69 -8.77 -0.98 0
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39621 8141674 1 ClS2N3O3H10C14 AB2C3D3E10F14 -19.41 5.99 -8.74 -0.98 0
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39622 8141676 1 ClFO2S2N3H11C16 ABC2D2E3F11G16 -37.17 5.85 -8.76 -1.07 0
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39623 8141678 1 ClN2O2S2C18H19 AB2C2D2E18F19 -49.85 5.98 -8.76 -1.01 0
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39624 8141679 1 ClN2S2O3H15C17 AB2C2D3E15F17 -29.0 7.93 -8.73 -0.98 0
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39625 8141680 3 NOH5C6 ABC5D6 -16.21 3.08 -8.41 -1.07 0
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39626 8141683 1 ClON3H14C17 ABC3D14E17 44.48 4.74 -9.35 -0.96 0
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39627 8141684 1 N2O5C19H22 A2B5C19D22 -191.87 4.16 -9.77 -0.78 0
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39628 8141689 1 N2O4C17H20 A2B4C17D20 -150.82 3.51 -9.38 -0.11 0
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39629 8141691 1 N2O4H12C17 A2B4C12D17 -42.12 1.71 -8.78 -1.34 0
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39630 8141692 1 N3O3C23H33 A3B3C23D33 -150.03 6.5 -9.04 -0.14 0
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39631 8141693 1 ON3C22H25 AB3C22D25 24.8 4.4 -9.22 -0.92 0
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39632 8141705 1 SO3N5C15H21 AB3C5D15E21 -92.61 9.21 -9.38 -0.74 0
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39633 8141707 1 ON6H22C23 AB6C22D23 90.89 5.73 -8.82 -1.17 0
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39634 8141708 1 ClSO3N4C18H19 ABC3D4E18F19 -98.66 3.04 -9.23 -1.15 0
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39635 8141709 1 ClOSN4H11C17 ABCD4E11F17 80.24 4.28 -9.14 -1.28 0
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39636 8141715 1 FSO3N4H19C20 ABC3D4E19F20 -59.53 4.78 -9.41 -1.04 0
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39637 8141716 1 FSO3N4H19C20 ABC3D4E19F20 -61.46 6.99 -9.32 -1.04 0
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39638 8141722 1 O2N4C21H22 A2B4C21D22 1.47 5.62 -9.11 -1.16 0
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39639 8141730 1 N3O5C23H37 A3B5C23D37 -217.81 5.8 -8.67 -0.16 0
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39640 8141732 1 BrO2N3C17H24 AB2C3D17E24 -80.4 4.19 -9.15 -0.63 0
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39641 8141734 1 SN4O4C19H30 AB4C4D19E30 -159.52 8.23 -9.19 -0.93 1
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39642 8141737 1 ClN3O3C21H33 AB3C3D21E33 -131.6 3.21 0.0 0.0 0
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39643 8141738 1 ClN3O3C21H32 AB3C3D21E32 -153.7 3.07 -8.65 0.04 1
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39644 8141739 1 N3O4C21H32 A3B4C21D32 -127.31 7.04 0.0 0.0 0
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39645 8141740 1 N3O4C21H31 A3B4C21D31 -149.15 4.49 -8.48 -0.46 1
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39646 8141741 1 BrN3O3C18H27 AB3C3D18E27 -96.63 3.06 0.0 0.0 0
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39647 8141742 1 BrN3O3C18H26 AB3C3D18E26 -119.92 4.81 -9.2 -0.29 1
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39648 8141745 1 ClN3O3C20H31 AB3C3D20E31 -124.11 3.98 0.0 0.0 0
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39649 8141746 1 ClN3O3C20H30 AB3C3D20E30 -146.51 0.4 -9.08 -0.31 1
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39650 8141747 1 N4O4C20H27 A4B4C20D27 -128.34 7.1 0.0 0.0 0
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39651 8141748 2 N2O2C10H13 A2B2C10D13 -149.68 1.76 -9.02 -1.52 1
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39652 8141751 1 ClN4O4C17H24 AB4C4D17E24 -72.36 3.76 0.0 0.0 0