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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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134612 51725586 1 O2N3C13H20 A2B3C13D20 -61.35 3.45 0.0 0.0 0
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134613 51726295 1 SN2O2C13H20 AB2C2D13E20 -62.16 2.69 -8.9 -0.12 0
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134614 51726724 1 S2N3O4C21H21 A2B3C4D21E21 -90.83 7.57 -9.51 -1.14 1
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134615 51726725 1 N2O2C16H21 A2B2C16D21 -19.25 4.86 0.0 0.0 0
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134616 51726726 2 NOC8H10 ABC8D10 -24.39 3.97 -9.13 -0.39 1
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134617 51727029 1 N3O4C20H32 A3B4C20D32 -157.85 3.33 0.0 0.0 0
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134618 51727163 1 NO3C19H25 AB3C19D25 -108.8 3.01 -8.86 0.16 0
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134619 51727938 1 BrN2O6C18H21 AB2C6D18E21 -241.4 7.15 -9.03 -0.28 0
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134620 51727993 1 ON3C13H21 AB3C13D21 -33.21 3.33 -9.38 0.82 0
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134621 51728432 1 FSN3O3C24H26 ABC3D3E24F26 -134.22 3.08 -9.32 -0.23 0
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134622 51728634 1 SN2O3C21H28 AB2C3D21E28 -130.09 4.19 -8.91 -1.38 0
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134623 51728830 1 OSN3C17H23 ABC3D17E23 1.9 3.11 -8.62 -0.59 1
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134624 51728831 1 OSN3C17H24 ABC3D17E24 6.13 5.73 0.0 0.0 0
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134625 51729158 1 SN4O4C19H30 AB4C4D19E30 -96.71 9.16 -9.14 -0.93 0
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134626 51729234 1 OCl2N4C14H14 AB2C4D14E14 34.48 4.96 -10.05 -0.98 1
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134627 51729384 1 ON2S2C17H23 AB2C2D17E23 -0.55 4.99 0.0 0.0 0
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134628 51729675 2 NOC12H14 ABC12D14 -58.97 3.64 -8.93 -0.37 0
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134629 51729965 1 SN3O4C23H35 AB3C4D23E35 -161.57 10.19 -8.86 -0.44 0
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134630 51730043 1 OSN3H23C30 ABC3D23E30 160.34 6.19 -8.53 -1.0 0
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134631 51730738 1 ON3C20H29 AB3C20D29 -27.5 3.08 -8.61 0.11 0
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134632 51730801 2 N2O2C14H15 A2B2C14D15 -54.23 7.43 -8.75 -0.45 0
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134633 51731536 1 ClN2O3C25H31 AB2C3D25E31 -133.67 3.35 -9.06 -0.52 0
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134634 51732251 1 ClN2O2C32H39 AB2C2D32E39 -82.36 3.77 -9.23 -0.42 0
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134635 51732353 1 ClN2O2C28H37 AB2C2D28E37 -107.47 3.27 -9.3 -0.51 0
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134636 51732565 1 ClN2O2C31H41 AB2C2D31E41 -107.29 4.04 -9.27 -0.53 0
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134637 51732721 1 ClN2O3C30H41 AB2C3D30E41 -140.72 1.97 -9.13 -0.45 0
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134638 51732755 1 ClN2O2C32H45 AB2C2D32E45 -111.97 3.19 -9.17 -0.24 0
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134639 51733129 1 ClN2O3C28H37 AB2C3D28E37 -143.86 2.71 -9.18 -0.56 0
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134640 51733130 1 ClN2O3C28H37 AB2C3D28E37 -145.29 4.03 -9.12 -0.48 0
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134641 51733145 1 ClN2O3C28H37 AB2C3D28E37 -146.69 2.71 -9.05 -0.34 0
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134642 51733146 1 ClN2O3C28H37 AB2C3D28E37 -143.72 3.31 -9.01 -0.55 0
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134643 51733152 1 ClN2O3C26H35 AB2C3D26E35 -136.26 1.44 -9.17 -0.27 0
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134644 51733629 1 ClN2O2C32H37 AB2C2D32E37 -65.01 3.25 -9.32 -0.41 0
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134645 51733630 1 ClN2O2C32H37 AB2C2D32E37 -54.73 4.61 -9.22 -0.66 0
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134646 51733631 1 ClN2O2C32H37 AB2C2D32E37 -55.01 4.08 -9.01 -0.18 0
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134647 51733924 1 Cl2N2O4C27H28 A2B2C4D27E28 -121.97 2.58 -8.5 -0.71 0
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134648 51733968 1 Cl2O2N3C27H29 A2B2C3D27E29 -47.57 5.63 -8.35 -0.61 0
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134649 51734138 1 ClN2O4C30H35 AB2C4D30E35 -141.53 1.9 -8.77 -0.44 0
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134650 51734396 1 ClN2O3C28H31 AB2C3D28E31 -80.85 4.6 -9.15 -0.53 0
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134651 51734507 1 ClN2O5C29H29 AB2C5D29E29 -140.18 6.38 -8.79 -0.6 0
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134652 51734598 1 ClN2O3C25H27 AB2C3D25E27 -75.63 2.41 -9.37 -0.64 0
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134653 51734599 1 ClN2O3C25H27 AB2C3D25E27 -76.85 3.39 -9.29 -0.65 0
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134654 51734600 1 ClN2O3C25H27 AB2C3D25E27 -76.34 3.38 -9.36 -0.61 0
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134655 51735011 1 ClN2O2F3C20H20 AB2C2D3E20F20 -222.23 4.95 -9.45 -0.72 0
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134656 51735014 1 ClN2O2F3C24H28 AB2C2D3E24F28 -237.08 3.3 -9.76 -0.9 -1
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134657 51735392 1 ClN3O5C24H25 AB3C5D24E25 -71.02 2.83 0.0 0.0 0
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134658 51735441 1 Cl2N3O5H23C25 A2B3C5D23E25 -100.13 4.47 -9.67 -1.52 0
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134659 51735488 1 ClN2O3C31H33 AB2C3D31E33 -40.01 4.67 -9.05 -0.84 0
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134660 51735489 1 ClN2O3C31H33 AB2C3D31E33 -39.88 7.8 -8.88 -0.92 0
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134661 51735829 1 ClN2O3C22H25 AB2C3D22E25 -96.98 3.54 -9.36 -0.58 0
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134662 51735882 1 ClN2O5C26H27 AB2C5D26E27 -160.37 2.82 -8.6 -0.51 0
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134663 51735883 1 ClN2O5C26H27 AB2C5D26E27 -158.03 5.21 -8.65 -0.61 0
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134664 51736516 1 ClSN2O2C23H29 ABC2D2E23F29 -90.85 3.12 -9.14 -0.26 0
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134665 51736725 1 ClSN2O2C26H35 ABC2D2E26F35 -99.69 5.64 -9.02 -0.34 0
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134666 51736956 1 ClN2O2C27H33 AB2C2D27E33 -76.27 3.59 -9.45 -0.47 0
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134667 51737362 1 SN2O3C20H28 AB2C3D20E28 -102.4 6.36 -9.42 -0.57 1
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134668 51737433 1 N2O4C26H35 A2B4C26D35 -113.59 5.23 0.0 0.0 0
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134669 51737434 2 NO2C13H17 AB2C13D17 -134.58 4.42 -8.61 0.2 0
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134670 51737748 1 N3O3C29H39 A3B3C29D39 -120.81 3.2 -9.32 -0.37 0
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134671 51737749 1 N3O3C29H39 A3B3C29D39 -120.71 4.2 -9.41 -0.18 0
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134672 51737750 1 N3O3C29H39 A3B3C29D39 -118.01 3.31 -9.15 -0.33 0
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134673 51737751 1 N3O3C29H39 A3B3C29D39 -120.0 2.26 -9.28 -0.35 0
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134674 51737763 1 N3O3C26H39 A3B3C26D39 -139.4 2.11 -9.46 -0.3 0
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134675 51737768 1 N3O3C31H43 A3B3C31D43 -137.01 2.37 -9.48 -0.41 0
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134676 51737810 1 N3O3C24H35 A3B3C24D35 -136.96 3.54 -9.39 -0.33 0
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134677 51738070 1 N3O3C20H33 A3B3C20D33 -162.34 10.61 -9.57 0.3 0
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134678 51738071 1 N3O3C20H33 A3B3C20D33 -170.12 2.61 -9.45 0.3 0
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134679 51738325 1 N3O4C24H37 A3B4C24D37 -112.35 8.76 -9.9 -1.6 0
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134680 51738326 1 N3O5C26H33 A3B5C26D33 -120.71 1.78 -8.8 -1.67 0
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134681 51738327 1 N3O5C26H33 A3B5C26D33 -115.14 11.59 -9.35 -1.37 0
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134682 51738328 1 N3O5C28H35 A3B5C28D35 -120.32 5.24 -8.94 -1.59 0
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134683 51738338 1 ClN3O4C29H38 AB3C4D29E38 -105.72 4.48 -9.42 -1.73 0
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134684 51738557 2 ClNOC12H16 ABCD12E16 -108.44 3.17 -9.26 -0.41 0
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134685 51738624 1 N2O3C23H34 A2B3C23D34 -131.77 5.19 -9.01 -0.13 0
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134686 51738625 1 SN2O5C27H34 AB2C5D27E34 -162.0 12.29 -9.4 -0.68 0
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134687 51739426 1 ClN2O2C22H31 AB2C2D22E31 -94.96 2.15 -9.38 -0.64 0
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134688 51739427 1 ClN2O2C22H31 AB2C2D22E31 -106.32 3.22 -9.24 -0.57 0
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134689 51739428 1 ClN2O2C22H31 AB2C2D22E31 -100.46 7.39 -9.31 -0.62 0
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134690 51739429 1 ClN2O2C22H31 AB2C2D22E31 -100.49 7.79 -9.26 -0.11 0
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134691 51739430 1 ClSN2O4C26H31 ABC2D4E26F31 -132.81 7.21 -9.51 -0.6 0
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134692 51739714 1 FN2O3C28H35 AB2C3D28E35 -155.08 8.32 -9.07 -0.19 0
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134693 51739916 1 N3O4C26H39 A3B4C26D39 -118.43 4.07 -9.48 -1.7 0
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134694 51740032 2 NOC17H19 ABC17D19 -44.69 3.56 -8.65 -0.5 0
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134695 51740033 2 NOC17H19 ABC17D19 -37.7 1.39 -8.9 -0.8 0
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134696 51740060 1 N2O3C26H34 A2B3C26D34 -126.32 6.0 -8.8 -0.04 0
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134697 51740221 1 N2O2C29H38 A2B2C29D38 -79.79 7.25 -9.21 -0.14 0
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134698 51740312 1 N2O5C23H34 A2B5C23D34 -251.1 3.5 -9.16 0.04 0
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134699 51740686 1 SN2O4C26H40 AB2C4D26E40 -179.32 4.82 -9.29 -0.78 0
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134700 51740715 1 SN2O4C26H42 AB2C4D26E42 -195.04 2.07 -9.24 -0.48 0
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134701 51740776 2 NOC10H18 ABC10D18 -139.33 3.75 -9.21 0.72 0
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134702 51740956 1 N2O3C33H40 A2B3C33D40 -73.25 2.2 -9.35 -0.45 0
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134703 51741329 1 N3O6C25H27 A3B6C25D27 -102.23 9.39 -9.51 -1.31 0
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134704 51741616 1 N2O3C25H40 A2B3C25D40 -150.82 3.44 -9.24 0.07 0
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134705 51741849 2 NO2C10H14 AB2C10D14 -145.38 1.81 -9.35 0.01 0
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134706 51742128 1 N3O6C26H29 A3B6C26D29 -98.13 8.44 -9.46 -1.32 0
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134707 51742656 1 N2O3C27H38 A2B3C27D38 -129.87 6.35 -9.21 -0.06 0
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134708 51742674 1 N2O3C28H40 A2B3C28D40 -134.64 4.38 -9.29 0.16 0
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134709 51742717 1 N2O3C25H42 A2B3C25D42 -162.34 5.75 -9.26 0.32 0
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134710 51742936 1 N2O3C33H38 A2B3C33D38 -62.72 5.36 -8.33 -0.29 0
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134711 51743227 2 NO2C15H22 AB2C15D22 -159.22 5.17 -8.92 -0.06 0