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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140713 52745232 1 N2O5C23H30 A2B5C23D30 -183.82 1.16 -7.85 -0.41 0
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140714 52746164 1 ClOSN2H19C20 ABCD2E19F20 28.19 7.01 -8.53 -0.33 0
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140715 52746165 1 ClN2O2S2H21C22 AB2C2D2E21F22 -30.63 3.13 -9.08 -0.43 0
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140716 52746166 1 ClN2O2S2H21C22 AB2C2D2E21F22 -27.28 5.24 -8.81 -0.57 0
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140717 52746297 1 NO3C23H29 AB3C23D29 -106.53 3.39 -8.67 0.05 0
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140718 52746298 1 NO3C23H29 AB3C23D29 -103.75 4.51 -8.76 0.06 0
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140719 52746415 1 NO4C23H31 AB4C23D31 -160.86 5.33 -8.92 0.11 0
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140720 52746497 1 N2F3O4C20H21 A2B3C4D20E21 -297.6 1.96 -9.64 -0.56 0
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140721 52746653 1 N2O3C20H26 A2B3C20D26 -90.95 4.45 -8.59 0.16 0
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140722 52747042 1 S2O3N4C23H24 A2B3C4D23E24 -36.1 7.88 -8.63 -0.6 0
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140723 52747056 1 O2S2N5C21H29 A2B2C5D21E29 -44.78 6.38 -8.53 -0.46 0
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140724 52747404 1 N3O4C18H23 A3B4C18D23 -92.55 0.95 -9.2 -0.72 0
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140725 52747492 1 N2O5C19H30 A2B5C19D30 -213.76 6.87 -8.39 -0.04 0
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140726 52747667 1 ClN2O3C20H27 AB2C3D20E27 -135.53 3.81 -8.82 0.12 1
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140727 52747676 1 ClN2O3C21H26 AB2C3D21E26 -72.02 3.76 0.0 0.0 1
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140728 52747684 1 ClN2O4C22H28 AB2C4D22E28 -107.92 7.46 0.0 0.0 0
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140729 52748371 1 FN2O2C22H25 AB2C2D22E25 -74.94 2.28 -7.88 -0.16 1
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140730 52748390 1 N3O4C23H30 A3B4C23D30 -38.21 10.06 0.0 0.0 0
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140731 52748534 1 FOSN4C19H25 ABCD4E19F25 -48.52 3.36 -8.55 -0.24 1
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140732 52748535 1 SO2N3C19H26 AB2C3D19E26 -10.99 5.91 0.0 0.0 1
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140733 52748536 1 OSN4C15H27 ABC4D15E27 -16.01 3.15 0.0 0.0 0
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140734 52748723 1 SN3O4C20H23 AB3C4D20E23 -103.53 7.7 -8.96 -0.52 0
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140735 52748929 1 ON2C19H30 AB2C19D30 -60.71 2.8 -8.78 0.35 0
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140736 52749031 1 SO2N3C22H33 AB2C3D22E33 -75.23 2.14 -8.87 -0.36 1
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140737 52749032 1 SO2N3C22H34 AB2C3D22E34 -68.68 8.39 0.0 0.0 1
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140738 52749471 1 SO3N4C23H31 AB3C4D23E31 -70.51 9.66 0.0 0.0 0
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140739 52750218 1 BrFN2O3C19H22 ABC2D3E19F22 -125.36 2.5 -9.12 -0.6 0
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140740 52750535 1 ClN2O4C19H21 AB2C4D19E21 -150.61 8.28 -8.72 -0.94 0
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140741 52750681 1 FCl2O2N3H18C20 AB2C2D3E18F20 -72.33 5.7 -9.18 -0.98 0
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140742 52750682 1 FCl2O2N3H18C20 AB2C2D3E18F20 -72.39 6.24 -9.1 -0.96 0
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140743 52750877 2 NO3H12C13 AB3C12D13 -152.2 4.72 -8.98 -1.21 0
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140744 52750878 1 N3O5C16H19 A3B5C16D19 -146.08 2.98 -8.95 -0.49 0
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140745 52750919 1 N2O5H24C25 A2B5C24D25 -140.0 3.58 -8.46 -0.79 0
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140746 52752411 1 FO3N5H20C25 AB3C5D20E25 -88.97 4.78 -8.66 -1.01 0
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140747 52752412 1 FON5H22C26 ABC5D22E26 30.29 4.15 -8.39 -0.66 0
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140748 52752413 1 FSN4O4H19C22 ABC4D4E19F22 -113.99 6.73 -8.51 -1.0 0
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140749 52752414 1 FON4H15C20 ABC4D15E20 15.15 1.7 -8.68 -0.8 0
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140750 52752415 1 O2N4H26C27 A2B4C26D27 9.95 3.53 -9.26 -0.73 0
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140751 52752416 1 SO2N5H21C26 AB2C5D21E26 58.97 2.69 -9.28 -0.95 -1
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140752 52752541 1 SN4O4C24H29 AB4C4D24E29 -96.57 8.75 0.0 0.0 0
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140753 52752654 2 N2O3C12H16 A2B3C12D16 -188.91 5.4 -8.05 -0.77 0
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140754 52753412 1 SO2N5H21C22 AB2C5D21E22 78.93 5.66 -9.49 -1.53 0
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140755 52753846 1 ClSN3O3H16C18 ABC3D3E16F18 -59.84 10.27 -8.7 -1.29 1
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140756 52754167 1 N3O3C25H30 A3B3C25D30 -34.33 4.69 0.0 0.0 0
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140757 52754446 1 ClSO3N4H19C23 ABC3D4E19F23 6.33 6.07 -9.24 -1.2 0
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140758 52754453 1 SO3N6C20H26 AB3C6D20E26 -49.51 9.67 -8.99 -0.97 0
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140759 52754512 1 N3O5C26H35 A3B5C26D35 -187.78 7.34 -9.38 -0.47 0
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140760 52755204 1 N2O2F3C19H21 A2B2C3D19E21 -209.24 2.68 -9.14 -0.1 0
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140761 52755205 1 ClN2O2F3C18H18 AB2C2D3E18F18 -212.95 0.94 -9.37 -0.43 0
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140762 52755378 1 SO2N3C27H27 AB2C3D27E27 17.3 3.66 -8.92 -0.86 0
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140763 52755379 1 SO2N3C27H27 AB2C3D27E27 15.17 4.06 -8.47 -0.65 0
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140764 52755748 1 SN3O4H23C24 AB3C4D23E24 -87.54 7.5 -8.38 -1.25 0
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140765 52755749 1 N3O4H21C22 A3B4C21D22 -66.09 1.63 -8.62 -0.65 0
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140766 52755750 1 N3O4H21C22 A3B4C21D22 -66.03 0.64 -8.66 -0.66 0
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140767 52755751 1 N3O3H19C22 A3B3C19D22 -31.29 2.08 -8.75 -0.96 0
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140768 52755960 1 ClN2O6C20H23 AB2C6D20E23 -203.49 4.09 -8.44 -0.72 0
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140769 52756823 1 N3O4C20H23 A3B4C20D23 -131.87 8.3 -8.86 -0.46 0
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140770 52757243 1 Cl2N2O3C21H22 A2B2C3D21E22 -107.22 4.5 -9.37 -1.07 0
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140771 52757366 1 N2O3C22H22 A2B3C22D22 -37.44 9.4 -8.49 -0.83 0
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140772 52757611 1 BrFSN2O4C17H18 ABCD2E4F17G18 -158.12 8.81 -9.61 -0.7 0
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140773 52757612 1 ClSN2O3F4H15C17 ABC2D3E4F15G17 -286.54 4.09 -10.01 -1.47 0
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140774 52757613 1 BrFSN2O3C17H18 ABCD2E3F17G18 -126.91 5.15 -9.83 -0.76 0
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140775 52757614 1 FSN2O5C24H25 ABC2D5E24F25 -175.75 7.35 -9.43 -0.62 0
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140776 52757971 1 SN3O4C20H27 AB3C4D20E27 -107.7 10.56 -9.13 -0.78 0
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140777 52758302 1 BrN3O3C20H24 AB3C3D20E24 -89.08 3.01 -8.89 -0.23 0
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140778 52758303 1 N3O5C21H25 A3B5C21D25 -149.17 2.87 -8.54 -0.27 1
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140779 52758759 1 O4N5C19H28 A4B5C19D28 -37.73 4.77 0.0 0.0 1
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140780 52758760 1 O4N5C19H28 A4B5C19D28 -34.42 8.64 0.0 0.0 0
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140781 52758761 1 O2N6C23H32 A2B6C23D32 -16.38 4.8 -8.5 -0.19 1
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140782 52758952 1 N2O4C23H31 A2B4C23D31 -108.05 6.46 0.0 0.0 0
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140783 52759281 2 NO2C9H12 AB2C9D12 -157.74 4.56 -9.06 -0.63 0
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140784 52759282 1 F2N2O3C17H22 A2B2C3D17E22 -220.36 5.22 -8.9 -0.39 0
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140785 52759510 1 SN4O5C17H26 AB4C5D17E26 -205.75 6.02 -9.18 -0.68 0
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140786 52759727 1 SN4O4C18H28 AB4C4D18E28 -176.12 1.71 -9.43 -0.5 0
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140787 52759806 1 SN4O5C16H24 AB4C5D16E24 -197.34 7.73 -9.16 -0.59 0
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140788 52760158 1 ClN3O3C22H28 AB3C3D22E28 -114.77 2.01 -9.34 -0.73 0
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140789 52760513 1 ClON4C21H29 ABC4D21E29 -10.97 4.74 -8.67 -0.7 1
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140790 52760514 1 O2N3C16H28 A2B3C16D28 -43.07 3.83 0.0 0.0 0
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140791 52760515 1 O2N3C16H27 A2B3C16D27 -65.42 5.97 -8.78 -0.29 0
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140792 52760575 1 O2N3C17H29 A2B3C17D29 -71.83 5.98 -8.79 -0.28 0
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140793 52761154 1 N2O5C25H34 A2B5C25D34 -202.44 3.87 -8.92 -0.38 0
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140794 52761246 1 SN3O5C21H31 AB3C5D21E31 -230.19 8.07 -8.85 -0.26 0
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140795 52761651 1 NO3C16H21 AB3C16D21 -125.47 4.39 -8.7 -0.44 0
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140796 52761655 1 O3N4C17H24 A3B4C17D24 -90.91 1.34 -8.89 -0.25 0
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140797 52762024 1 N2O4C25H30 A2B4C25D30 -134.56 5.09 -8.94 -0.41 0
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140798 52762187 1 NSO2C18H21 ABC2D18E21 -44.52 3.77 -8.55 0.11 0
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140799 52762838 1 N3O5C20H29 A3B5C20D29 -143.26 5.23 -8.96 -1.38 1
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140800 52764038 1 N2O2F4C19H21 A2B2C4D19E21 -225.5 5.64 0.0 0.0 0
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140801 52764039 1 N2O2F4C19H20 A2B2C4D19E20 -240.7 4.56 -8.99 -1.02 0
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140802 52764164 1 SN2O3C24H24 AB2C3D24E24 -54.07 4.52 -8.78 -0.4 0
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140803 52764177 1 ClO2N4C23H25 AB2C4D23E25 -27.99 4.84 -9.02 -0.51 0
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140804 52764178 2 ON2C12H14 AB2C12D14 -31.04 7.64 -8.96 -0.64 0
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140805 52764364 1 NO5C24H29 AB5C24D29 -154.79 4.83 -8.99 -0.5 0
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140806 52764365 1 N2O5C24H36 A2B5C24D36 -235.87 5.24 -8.81 0.21 0
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140807 52764366 1 N2O5C24H36 A2B5C24D36 -233.1 3.23 -8.95 0.11 0
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140808 52765326 1 BrNO4C19H20 ABC4D19E20 -130.28 3.72 -9.32 -0.41 0
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140809 52765408 1 N3O5C23H25 A3B5C23D25 -116.99 3.94 -9.05 -0.7 0
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140810 52765439 1 NO4C22H27 AB4C22D27 -156.57 4.47 -8.68 -0.15 0
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140811 52765471 1 N2O4C21H22 A2B4C21D22 -92.86 1.63 -9.07 -0.45 2
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140812 52765698 1 O3N5C25H37 A3B5C25D37 -41.46 6.61 -6.48 -0.61 1