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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379669 134455453 1 SO2N9C25H27 AB2C9D25E27 44.16 7.81 -8.54 -0.88 0
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379670 134455454 1 SO2F3N7H18C21 AB2C3D7E18F21 -101.65 1.53 -8.78 -1.44 0
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379671 134455684 1 SO3N8C28H30 AB3C8D28E30 29.89 9.1 -8.47 -0.9 0
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379672 134455808 1 SO2N4C12H16 AB2C4D12E16 -31.64 4.27 -8.59 -0.27 0
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379673 134455811 1 SF3O4N8C28H31 AB3C4D8E28F31 -192.9 9.02 -8.57 -0.92 0
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379674 134455822 1 F2O2N7H21C22 A2B2C7D21E22 -37.44 8.47 -8.84 -1.03 0
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379675 134455905 1 FSO5N6C28H33 ABC5D6E28F33 -175.75 12.0 -8.75 -0.91 0
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379676 134455912 1 SO4N5C22H25 AB4C5D22E25 -90.52 3.22 -8.57 -0.78 0
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379677 134455935 1 SF2N5O5C27H31 AB2C5D5E27F31 -234.74 6.39 -8.46 -0.57 0
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379678 134455976 1 SO4N7C30H37 AB4C7D30E37 -96.66 7.71 -8.42 -0.75 0
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379679 134456159 1 SF2O4N7C25H27 AB2C4D7E25F27 -127.43 7.75 -8.85 -1.13 0
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379680 134456161 1 ON3C14H21 AB3C14D21 1.1 1.69 -8.71 -0.2 0
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379681 134456203 1 SF3O4N6C23H23 AB3C4D6E23F23 -201.04 10.14 -9.15 -1.32 0
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379682 134456336 1 SO2N3C14H17 AB2C3D14E17 -17.66 5.75 -8.47 -0.34 0
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379683 134456381 1 SF3O3N8C23H23 AB3C3D8E23F23 -120.19 10.22 -8.78 -1.08 0
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379684 134456559 1 O3N8C27H32 A3B8C27D32 11.13 2.55 -8.41 -0.28 0
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379685 134456639 1 ClSO2N5C23H24 ABC2D5E23F24 0.08 3.41 -8.73 -0.9 0
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379686 134457174 1 FSN5O5C27H28 ABC5D5E27F28 -125.21 6.55 -8.88 -0.88 0
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379687 134457180 1 NOSC7H15 ABCD7E15 -57.62 4.04 -8.38 0.47 0
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379688 134457185 1 FN4O4C30H33 AB4C4D30E33 -117.2 10.04 -8.44 -0.6 0
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379689 134457376 1 SN5O5C21H27 AB5C5D21E27 -154.7 7.47 -8.76 -0.3 0
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379690 134457432 1 FO3N4H21C23 AB3C4D21E23 -53.63 4.37 -8.62 -0.65 0
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379691 134457554 1 F2O2N4C29H30 A2B2C4D29E30 -80.01 6.8 -8.86 -0.51 0
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379692 134457982 1 N5H7F8C16 A5B7C8D16 -282.39 2.38 -10.0 -1.89 0
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379693 134457983 1 FSN2Cl3O4H24C31 ABC2D3E4F24G31 -81.63 7.28 -9.4 -1.54 0
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379694 134458341 1 SN5O9C42H63 AB5C9D42E63 -409.98 7.53 -9.08 -1.14 0
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379695 134458414 1 O2N3C15H31 A2B3C15D31 -129.01 3.31 -9.18 0.91 0
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379696 134459110 2 NO2C8H16 AB2C8D16 -239.36 2.54 -9.46 0.88 0
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379697 134459189 1 ON2C15H28 AB2C15D28 -62.66 4.61 -8.86 1.08 0
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379698 134459350 1 SF3O4N7C34H34 AB3C4D7E34F34 -215.57 5.61 -8.94 -1.18 0
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379699 134459541 1 BrOF2N3H14C18 ABC2D3E14F18 -64.83 3.94 -9.4 -0.85 0
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379700 134459617 1 BrON2C13H19 ABC2D13E19 -49.73 4.14 -8.2 0.03 0
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379701 134459716 1 O2C9H14 A2B9C14 -67.45 1.0 -9.84 1.88 0
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379702 134459725 1 N3O11C27H37 A3B11C27D37 -460.39 8.7 -9.84 -1.62 0
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379703 134459790 1 Cl2O2N3C16H25 A2B2C3D16E25 -124.24 7.01 -8.11 -0.06 0
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379704 134459968 2 OC13H23 AB13C23 -155.4 1.13 -9.65 1.82 0
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379705 134459969 1 N2F3O6C22H23 A2B3C6D22E23 -344.91 6.16 -8.97 -1.0 0
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379706 134459971 1 FCl2N3O3H8C14 AB2C3D3E8F14 -61.54 3.62 -9.15 -1.41 0
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379707 134459972 1 F3O3N4H9C16 A3B3C4D9E16 -128.52 7.33 -9.53 -1.78 0
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379708 134459974 1 Cl2N3O3H9C14 A2B3C3D9E14 -17.96 5.33 -9.1 -1.3 0
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379709 134459989 1 ClN2O2C21H23 AB2C2D21E23 -28.48 2.46 -9.08 -0.4 0
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379710 134460004 2 FNO2C12H13 ABC2D12E13 -218.06 9.63 -8.76 -0.91 0
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379711 134460149 1 SO3N8C17H18 AB3C8D17E18 12.12 6.29 -9.32 -0.84 0
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379712 134460308 1 N2C19H28 A2B19C28 6.96 3.38 -8.41 0.1 0
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379713 134460549 1 FN2O2C36H37 AB2C2D36E37 -31.78 5.43 -8.98 -0.47 0
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379714 134460814 1 FN4O4H23C24 AB4C4D23E24 -102.01 4.66 -8.49 -1.16 0
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379715 134460825 1 NO5C23H23 AB5C23D23 -183.17 7.25 -8.88 -1.23 0
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379716 134460849 1 N2S3O4C13H22 A2B3C4D13E22 -118.71 2.48 -8.85 -1.21 0
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379717 134460963 1 SO5N6C18H34 AB5C6D18E34 -187.98 1.45 -9.18 -0.58 0
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379718 134460987 1 IS2O3H5C7 AB2C3D5E7 -54.26 5.29 -9.45 -1.9 0
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379719 134461007 1 INO2H12C23 ABC2D12E23 17.29 5.25 -8.9 -2.25 0
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379720 134461185 1 O2N5H15C18 A2B5C15D18 46.37 4.39 -9.3 -0.92 0
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379721 134461212 1 O4N6H22C27 A4B6C22D27 37.68 9.16 -9.15 -1.25 0
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379722 134461243 1 O3N7H21C23 A3B7C21D23 51.76 6.49 -9.03 -1.12 0
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379723 134461255 1 O3N7H21C29 A3B7C21D29 119.95 6.18 -9.3 -1.41 0
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379724 134461314 1 FO2N8H17C25 AB2C8D17E25 96.19 9.04 -9.3 -1.55 0
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379725 134461437 1 SF3O3N7H24C27 AB3C3D7E24F27 -114.14 6.39 -8.91 -1.24 0
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379726 134461566 1 SF3O3N7H22C26 AB3C3D7E22F26 -83.33 13.96 -9.03 -1.26 0
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379727 134461611 1 SO3N6H20C25 AB3C6D20E25 67.52 8.75 -9.06 -1.29 0
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379728 134461612 1 SF3O3N7H22C26 AB3C3D7E22F26 -113.54 3.6 -8.94 -1.26 0
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379729 134461956 1 O3F6C53H54 A3B6C53D54 -369.72 7.43 -8.38 -1.09 0
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379730 134462490 1 ClNO3C22H28 ABC3D22E28 -114.32 4.39 -8.88 -0.27 0
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379731 134462953 1 FPN3C17H17 ABC3D17E17 42.25 4.5 -9.15 -0.45 0
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379732 134462954 1 N2C9H16 A2B9C16 30.87 4.02 -9.06 0.6 0
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379733 134462955 1 NO2C11H17 AB2C11D17 -35.97 5.15 -9.09 0.03 0
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379734 134462959 1 NOC15H27 ABC15D27 -40.62 2.86 -8.7 0.43 0
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379735 134463027 2 O3C10H13 A3B10C13 -233.11 7.45 -8.81 -0.91 0
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379736 134463041 1 BrN2O3H17C22 AB2C3D17E22 29.56 8.7 -9.8 -1.28 0
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379737 134463060 1 ClON2H17C21 ABC2D17E21 32.41 2.89 -9.47 -0.65 0
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379738 134463097 1 N13O30C54H93 A13B30C54D93 -1315.41 13.82 -8.82 -0.49 0
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379739 134463406 1 NSF3C21H22 ABC3D21E22 -133.55 4.98 -8.38 -0.08 0
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379740 134463532 1 SO2F3N3H18C22 AB2C3D3E18F22 -160.5 8.94 -8.51 -1.36 2
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379741 134463534 1 N4C9H22 A4B9C22 47.42 1.05 -7.88 2.3 0
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379742 134463565 1 N4F6H40C45 A4B6C40D45 -196.96 2.29 -8.07 -0.55 0
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379743 134463579 1 N2S4F12H72C77 A2B4C12D72E77 -501.46 2.92 -7.78 -0.8 0
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379744 134463696 1 N4O5H12C15 A4B5C12D15 -8.57 6.21 -9.17 -1.59 0
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379745 134463789 1 NC10H17 AB10C17 -9.09 1.53 -7.71 1.63 0
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379746 134463790 1 ClON4C14H15 ABC4D14E15 102.59 5.32 -8.93 -0.38 0
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379747 134463915 1 ClSO3N5C34H38 ABC3D5E34F38 26.28 35.24 -6.91 -2.07 0
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379748 134463958 1 ClSN4O5C39H45 ABC4D5E39F45 -160.91 3.53 -8.82 -1.01 0
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379749 134464114 1 ClS2O5N6C34H37 AB2C5D6E34F37 -88.95 9.77 -8.32 -1.38 0
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379750 134464228 2 NH20C29 AB20C29 248.37 3.16 -7.96 -0.56 0
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379751 134464264 1 N2O2C19H30 A2B2C19D30 -102.17 5.01 -9.13 -0.59 0
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379752 134464276 1 ClF2N3O3H20C21 AB2C3D3E20F21 -157.42 9.44 -8.68 -0.79 0
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379753 134464277 1 F2N3O3C22H23 A2B3C3D22E23 -137.74 9.19 -8.41 -0.96 0
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379754 134464774 1 SF2N3O8H25C29 AB2C3D8E25F29 -268.11 6.95 -8.78 -1.37 0
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379755 134464781 1 O2C15H20 A2B15C20 -73.55 1.08 -9.32 -0.26 0
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379756 134464788 2 OC7H8 AB7C8 -45.38 1.62 -9.58 -0.3 0
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379757 134464789 2 OC6H6 AB6C6 -49.32 1.72 -9.38 -0.3 0
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379758 134464796 1 SO2C22H30 AB2C22D30 -100.4 1.4 -8.06 -0.13 0
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379759 134464806 1 NO5C20H35 AB5C20D35 -200.46 3.14 -9.08 0.25 0
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379760 134464810 1 ClN3O3C17H24 AB3C3D17E24 -113.08 10.28 -8.86 -0.84 0
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379761 134464813 1 O4N6H50C53 A4B6C50D53 71.14 8.55 -8.65 -0.79 0
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379762 134464815 1 BrF2O3N6H49C52 AB2C3D6E49F52 -34.93 10.27 -8.72 -0.72 0
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379763 134464816 1 BrON2F5H10C16 ABC2D5E10F16 -227.57 8.29 -9.93 -1.37 0
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379764 134464821 1 BrFO3N6C50H50 ABC3D6E50F50 -9.85 6.38 -8.35 -0.49 0
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379765 134464822 1 OF2N2H16C20 AB2C2D16E20 -31.1 12.55 -7.96 -1.51 0
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379766 134464825 1 NH39C50 AB39C50 159.02 0.56 -7.87 -0.66 0
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379767 134464829 1 NH41C54 AB41C54 175.89 0.66 -7.94 -0.65 0
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379768 134464835 1 NOH33C42 ABC33D42 106.54 1.62 -7.94 -0.65 0