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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298526 117650597 1 NO2C17H37 AB2C17D37 -167.91 1.27 -9.37 2.55 0
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298527 117650604 1 NO7C23H25 AB7C23D25 -153.56 7.03 -8.99 -1.55 0
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298528 117650612 2 N3O5C11H21 A3B5C11D21 -428.47 9.05 -9.53 0.36 0
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298529 117650613 2 N3O5C11H22 A3B5C11D22 -467.23 5.82 -9.6 0.38 0
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298530 117650619 2 ON4H9C12 AB4C9D12 157.57 5.45 -8.71 -0.92 0
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298531 117650623 2 O2C18H19 A2B18C19 -43.49 2.69 -9.06 -0.09 0
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298532 117650624 1 NO7C12H21 AB7C12D21 -338.23 2.42 -10.37 0.3 0
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298533 117650629 1 PO8C18H37 AB8C18D37 -466.28 2.69 -9.92 0.7 0
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298534 117650630 1 FNO6C17H18 ABC6D17E18 -257.01 1.53 -8.68 -0.98 0
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298535 117650633 1 NO5C14H19 AB5C14D19 -195.34 2.66 -8.52 -0.1 0
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298536 117650682 1 NO3C13H19 AB3C13D19 -95.8 2.37 -8.18 0.29 0
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298537 117650843 1 OC13H20 AB13C20 -52.87 1.75 -9.37 0.34 0
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298538 117650858 1 PN2C21H27 AB2C21D27 11.54 1.56 -7.84 0.46 0
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298539 117650878 1 NO4C11H15 AB4C11D15 -138.42 3.37 -8.84 -0.64 0
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298540 117650882 1 NSO3C11H15 ABC3D11E15 -106.31 7.39 -9.62 -0.92 0
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298541 117650897 1 O4N6C13H22 A4B6C13D22 -86.36 2.6 -9.38 -0.23 0
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298542 117650907 1 O2F9C11H11 A2B9C11D11 -533.86 3.2 -10.91 -0.5 0
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298543 117650914 1 N2O2C7H10 A2B2C7D10 -22.0 3.19 -9.42 0.01 0
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298544 117650935 1 O5C40H56 A5B40C56 -257.35 2.04 -8.37 0.26 0
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298545 117650936 1 ClFON3C15H15 ABCD3E15F15 -13.03 3.19 -8.9 -0.91 0
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298546 117650956 1 NO3C23H35 AB3C23D35 -173.41 4.48 -8.58 0.3 0
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298547 117650977 1 BrFOC21H26 ABCD21E26 -88.69 4.78 -8.6 -0.77 0
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298548 117651004 2 C2H2N3 A2B2C3 133.84 1.58 -10.14 -1.91 0
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298549 117651008 1 O2C19H30 A2B19C30 -91.48 2.61 -9.14 -0.06 1
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298550 117651032 1 PO5C26H44 AB5C26D44 -263.09 19.26 0.0 0.0 0
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298551 117651048 1 NO2C16H27 AB2C16D27 -94.39 2.03 -11.03 -1.04 0
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298552 117651052 1 NO2S4C7H7 AB2C4D7E7 -25.06 8.66 -8.13 -0.83 0
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298553 117651053 1 NaN3O4C11H20 AB3C4D11E20 -177.71 23.7 -8.42 -1.15 0
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298554 117651056 1 NO3C18H31 AB3C18D31 -132.83 4.57 -10.08 -1.18 0
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298555 117651058 1 NO6C12H19 AB6C12D19 -208.36 3.24 -10.02 -1.35 0
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298556 117651071 1 O4C9H16 A4B9C16 -206.75 3.63 -10.23 0.33 0
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298557 117651084 2 O2C8H9 A2B8C9 -157.0 1.03 -9.88 -0.28 0
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298558 117651089 1 PF2N3O9C20H23 AB2C3D9E20F23 -435.76 5.1 0.0 0.0 0
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298559 117651092 1 O4C9H14 A4B9C14 -194.72 2.89 -11.05 0.06 1
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298560 117651096 1 FPN3O9C25H32 ABC3D9E25F32 -416.21 4.62 0.0 0.0 1
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298561 117651109 1 FPN6O8C21H25 ABC6D8E21F25 -271.8 7.16 0.0 0.0 0
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298562 117651114 2 O2C5H8 A2B5C8 -198.09 2.77 -10.98 0.05 0
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298564 117651128 1 PF3N3O9C21H24 AB3C3D9E21F24 -483.55 5.11 0.0 0.0 0
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298565 117651129 1 NCl2O3H7C8 AB2C3D7E8 -44.3 8.02 -10.1 -1.29 0
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298566 117651130 1 O3N4C12H18 A3B4C12D18 -21.97 1.75 -9.78 -0.47 0
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298567 117651161 1 NO10C12H23 AB10C12D23 -474.9 3.01 -10.34 0.14 0
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298570 117651179 1 NCl2O3C10H11 AB2C3D10E11 -62.59 8.91 -9.96 -1.15 0
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298572 117651236 1 NCl2O2C9H9 AB2C2D9E9 -13.98 6.87 -10.18 -1.4 0
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298573 117651237 1 O4C15H16 A4B15C16 -154.29 1.8 -9.68 -0.09 0
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298574 117651241 1 ClN2O3C17H19 AB2C3D17E19 -24.94 8.24 -8.93 -1.15 0
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298575 117651283 1 ClN2O3H13C14 AB2C3D13E14 -18.28 8.57 -8.91 -0.99 0
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298576 117651286 1 PO2C20H43 AB2C20D43 -231.41 2.54 -9.81 1.44 1
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298577 117651300 1 FPN3O9C21H26 ABC3D9E21F26 -402.26 4.07 0.0 0.0 0
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298578 117651301 1 O2N5C18H25 A2B5C18D25 -23.15 2.19 -8.83 -0.69 0
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298580 117651308 1 FON3C13H16 ABC3D13E16 -45.07 3.6 -9.01 -0.27 0
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298581 117651315 1 SCl2F2N2O5H16C17 AB2C2D2E5F16G17 -270.14 5.03 -9.68 -1.25 0
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298582 117651413 1 ClF2N2O2H9C16 AB2C2D2E9F16 -93.36 4.17 -9.28 -1.3 0
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298583 117651433 1 SN3O4F5H8C13 AB3C4D5E8F13 -327.82 4.15 -10.45 -2.03 0
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298584 117651435 1 ClN2O4C16H17 AB2C4D16E17 -124.32 5.18 -9.23 -0.81 0
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298585 117651465 1 ClFNO3H15C16 ABCD3E15F16 -119.37 3.35 -9.12 -1.11 0
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298586 117651468 1 ClSN2F4O5H13C17 ABC2D4E5F13G17 -340.16 4.19 -9.74 -1.46 0
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298587 117651477 1 ClSF2N4O4C19H21 ABC2D4E4F19G21 -196.83 5.55 -8.94 -1.16 0
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298589 117651492 1 SCl2N2F3O4H11C15 AB2C2D3E4F11G15 -275.6 2.49 -10.01 -1.63 0
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298590 117651526 1 ClSN2F3O5H14C17 ABC2D3E5F14G17 -284.03 3.1 -9.64 -1.4 0
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298591 117651579 1 ClSN11O16C64H86 ABC11D16E64F86 -680.16 2.6 -9.16 -1.26 0
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298593 117651599 1 O3N4C42H60 A3B4C42D60 -104.29 7.48 -8.36 -0.07 0
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298594 117651610 1 O2N3C34H51 A2B3C34D51 -110.04 7.5 -8.45 0.84 0
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298597 117651641 1 ClF3N3O3H19C21 AB3C3D3E19F21 -183.56 4.12 -9.3 -0.86 0
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298599 117651700 1 O2N5C40H57 A2B5C40D57 47.6 4.84 -7.05 -1.28 0
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298600 117651706 1 ON2C10H12 AB2C10D12 -8.54 3.12 -7.87 0.21 0
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298602 117651715 2 FNOH7C11 ABCD7E11 -41.35 1.63 -8.17 -1.22 0
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298603 117651716 2 FNOH7C11 ABCD7E11 -50.21 2.53 -8.68 -1.09 0
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298604 117651717 2 FNOH7C11 ABCD7E11 -42.37 3.56 -8.11 -1.16 0
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298605 117651721 1 ClSO8N9C36H36 ABC8D9E36F36 -183.06 5.26 -9.41 -1.51 0
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298606 117651723 1 ClO2N4C35H55 AB2C4D35E55 -134.55 3.49 -8.35 0.7 0
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298607 117651743 1 BrClFO4N5H12C21 ABCD4E5F12G21 16.45 1.02 -9.92 -1.92 0
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298608 117651806 1 O3F4N4H16C18 A3B4C4D16E18 -264.25 5.33 -9.32 -1.05 0
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298611 117651810 1 ClFNO3H13C17 ABCD3E13F17 -106.18 8.42 -9.43 -1.07 0
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298612 117651813 1 ClF2O3N4H15C17 AB2C3D4E15F17 -151.6 3.21 -9.2 -1.04 0
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298613 117651820 1 FN4O4C18H19 AB4C4D18E19 -138.63 2.64 -8.99 -0.5 0