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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138713 52415045 1 N3O4C21H33 A3B4C21D33 -196.32 2.03 -8.66 0.24 0
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138714 52415046 1 N2O3C17H22 A2B3C17D22 -81.5 4.63 -8.69 0.2 0
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138715 52415054 1 SN3O4C19H25 AB3C4D19E25 -133.03 2.88 -8.77 -0.62 0
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138716 52415055 1 SN3O4C21H27 AB3C4D21E27 -119.43 4.02 -8.61 -0.72 0
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138717 52415056 2 NO2C11H14 AB2C11D14 -128.86 1.72 -8.23 0.19 0
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138718 52415096 1 N2O3C21H24 A2B3C21D24 -68.76 4.68 -8.72 0.0 0
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138719 52415222 1 N3O4C19H21 A3B4C19D21 -114.42 1.37 -8.79 -0.18 0
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138720 52415375 3 NOC6H9 ABC6D9 -113.61 5.23 -8.25 0.12 1
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138721 52415909 1 ClO2N3C22H27 AB2C3D22E27 -40.18 1.57 0.0 0.0 0
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138722 52415925 1 O3N4C20H32 A3B4C20D32 -131.15 8.75 -8.99 -0.11 0
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138723 52415943 1 FO2N3C16H24 AB2C3D16E24 -149.4 2.59 -9.66 -0.09 1
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138724 52416382 1 N2C14H21 A2B14C21 64.64 2.39 0.0 0.0 0
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138725 52416383 2 NC7H10 AB7C10 39.01 2.23 -8.64 0.32 0
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138726 52416464 1 SN3C15H23 AB3C15D23 16.21 3.42 -8.25 -0.06 0
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138727 52416506 1 N3O5C12H13 A3B5C12D13 -151.23 5.47 -10.18 -0.82 0
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138728 52416652 1 O3N6C20H22 A3B6C20D22 -7.77 3.14 -8.35 -1.12 0
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138729 52416783 1 NO2S2C11H11 AB2C2D11E11 -27.43 2.41 -9.2 -0.58 0
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138730 52416817 1 NO2S2C14H15 AB2C2D14E15 -31.86 2.13 -8.97 -0.63 0
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138731 52416842 1 NSO3C18H21 ABC3D18E21 -87.5 3.7 -9.28 -0.48 0
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138732 52416886 1 FSN2O3C15H15 ABC2D3E15F15 -121.5 1.53 -9.33 -0.49 0
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138733 52417168 1 ON6C15H18 AB6C15D18 78.87 6.9 -8.81 -0.76 1
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138734 52417490 1 FN2O2C15H22 AB2C2D15E22 -100.95 6.34 0.0 0.0 0
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138735 52417491 1 FN2O2C15H21 AB2C2D15E21 -116.36 3.12 -8.85 -0.09 0
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138736 52417617 1 O3N5H21C22 A3B5C21D22 -32.53 4.94 -8.66 -1.27 0
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138737 52418183 1 O3N4C23H26 A3B4C23D26 -68.76 4.36 -8.56 -1.45 1
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138738 52418200 1 ON5C24H38 AB5C24D38 8.38 6.14 0.0 0.0 0
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138739 52418369 1 NSF3O4H16C17 ABC3D4E16F17 -276.37 6.42 -10.07 -1.26 0
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138740 52418645 1 SN3O3C14H29 AB3C3D14E29 -163.65 5.99 -8.85 0.54 0
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138741 52418893 1 FSN3O3C18H26 ABC3D3E18F26 -169.17 10.99 -7.88 0.0 1
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138742 52419032 1 FON5C21H21 ABC5D21E21 64.34 9.15 0.0 0.0 0
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138743 52419070 1 SO2N6C16H22 AB2C6D16E22 -10.99 5.51 -8.73 -0.9 -1
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138744 52419071 1 N3O3C17H18 A3B3C17D18 -48.09 8.3 0.0 0.0 -1
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138745 52419072 1 N3O3C17H18 A3B3C17D18 -49.02 8.56 0.0 0.0 0
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138746 52419341 1 FN5C17H18 AB5C17D18 64.03 8.09 -8.93 -0.82 0
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138747 52419342 1 FON6C17H17 ABC6D17E17 32.01 4.44 -9.31 -1.16 0
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138748 52419509 1 ClN3O4C17H24 AB3C4D17E24 -193.49 4.22 -8.96 -0.45 0
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138749 52419690 1 O2N4C19H24 A2B4C19D24 -58.44 2.73 -8.07 -0.19 -1
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138750 52419749 1 SN3O4C18H18 AB3C4D18E18 -40.98 3.52 0.0 0.0 0
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138751 52420109 1 SN2O2C23H24 AB2C2D23E24 -27.5 6.2 -8.97 -0.43 0
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138752 52420718 1 SN4C6H10 AB4C6D10 104.38 19.4 -6.95 -1.22 1
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138753 52421059 1 NF2C4H8 AB2C4D8 -78.07 4.39 0.0 0.0 1
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138754 52421249 1 NOF3C8H15 ABC3D8E15 -172.65 16.17 0.0 0.0 -1
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138755 52421362 1 N2O2C10H15 A2B2C10D15 -29.15 3.35 0.0 0.0 0
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138756 52421512 1 SN3O3C18H23 AB3C3D18E23 -63.75 11.57 -8.62 -0.32 0
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138757 52421584 1 ON2S2C16H20 AB2C2D16E20 -3.72 2.66 -9.11 -0.28 1
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138758 52421614 1 SO2N3C19H28 AB2C3D19E28 -30.76 3.15 0.0 0.0 1
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138759 52422019 1 ClSO2N3H17C24 ABC2D3E17F24 68.73 7.92 0.0 0.0 0
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138760 52422110 1 ON5C23H25 AB5C23D25 68.04 3.01 -8.18 -0.53 0
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138761 52422444 1 SO3N5C19H21 AB3C5D19E21 -1.23 8.3 -9.37 -1.06 0
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138762 52422535 1 O2S2N5C13H17 A2B2C5D13E17 38.4 5.14 -8.37 -0.94 0
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138763 52422551 1 O2N6C15H20 A2B6C15D20 46.28 1.47 -8.43 -0.73 0
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138764 52422552 1 OSN5C16H21 ABC5D16E21 45.59 3.23 -8.14 -0.88 0
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138765 52422962 1 SN2O4C14H20 AB2C4D14E20 -162.27 4.93 -9.26 -1.0 0
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138766 52423253 1 ClFN2O2C18H20 ABC2D2E18F20 -91.92 0.86 -8.88 -0.82 0
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138767 52423297 1 O4N5C18H25 A4B5C18D25 -44.05 5.85 -9.08 -0.83 1
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138768 52423312 1 SO2N4C18H31 AB2C4D18E31 -79.38 2.88 0.0 0.0 0
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138769 52423313 1 SO2N4C18H30 AB2C4D18E30 -79.02 5.72 -8.88 0.0 1
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138770 52423314 1 SO2N4C18H31 AB2C4D18E31 -80.1 2.77 0.0 0.0 0
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138771 52424020 1 SO3N4C21H24 AB3C4D21E24 -59.64 5.67 -9.33 -1.07 0
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138772 52424021 1 SO3N4C21H24 AB3C4D21E24 -59.5 9.44 -9.37 -1.14 0
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138773 52424326 1 O2S2N3H21C23 A2B2C3D21E23 31.77 5.96 -8.94 -0.88 0
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138774 52424542 1 N2O2S3C22H26 A2B2C3D22E26 -19.85 4.56 -8.8 -1.09 0
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138775 52424626 1 SO3N4C24H28 AB3C4D24E28 -70.02 5.93 -9.19 -1.07 0
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138776 52424937 1 SN4O4C24H24 AB4C4D24E24 -56.21 9.51 -9.33 -1.35 0
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138777 52424938 1 SN4O4C24H24 AB4C4D24E24 -55.55 8.53 -9.32 -1.35 0
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138778 52424939 1 SN4O4C24H24 AB4C4D24E24 -56.27 9.46 -9.33 -1.35 0
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138779 52425135 1 SN4O4C24H30 AB4C4D24E30 -108.84 5.16 -9.03 -1.01 0
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138780 52425136 1 SN4O4C24H30 AB4C4D24E30 -108.56 8.13 -9.05 -1.04 0
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138781 52425137 1 SN4O4C24H30 AB4C4D24E30 -98.65 9.67 -9.3 -1.26 0
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138782 52425244 1 SO3N4C26H26 AB3C4D26E26 -33.24 8.55 -8.77 -1.19 0
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138783 52425245 1 SO3N4C26H26 AB3C4D26E26 -33.45 8.89 -8.89 -1.21 0
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138784 52425246 1 SO3N4C26H26 AB3C4D26E26 -34.05 6.98 -8.91 -1.23 0
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138785 52425247 1 SO3N4C26H26 AB3C4D26E26 -33.97 8.06 -8.79 -1.19 0
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138786 52425248 1 SO3N4C26H26 AB3C4D26E26 -34.48 6.59 -8.82 -1.21 0
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138787 52425249 1 SO3N4C26H26 AB3C4D26E26 -31.01 9.33 -9.28 -1.17 0
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138788 52425273 1 SO3N5C25H25 AB3C5D25E25 -18.36 9.6 -9.2 -0.99 0
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138789 52425370 1 SN4O5C24H24 AB4C5D24E24 -89.89 7.4 -9.18 -1.29 0
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138790 52425575 1 ClSN4O4H21C23 ABC4D4E21F23 -59.25 7.36 -9.34 -1.35 0
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138791 52425697 1 SO3N4C27H28 AB3C4D27E28 -33.0 8.19 -9.28 -1.1 0
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138792 52425953 1 SN4O6C24H24 AB4C6D24E24 -120.89 11.06 -8.37 -1.44 0
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138793 52426032 1 ClFSO3N4H20C24 ABCD3E4F20G24 -72.25 7.14 -9.34 -1.4 0
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138794 52426279 1 SN4O4C27H28 AB4C4D27E28 -67.14 10.54 -9.04 -1.06 0
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138795 52426458 1 FSN4O4H25C26 ABC4D4E25F26 -106.66 8.12 -9.1 -1.14 0
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138796 52426533 1 N2S2O6H22C25 A2B2C6D22E25 -104.92 6.15 -8.33 -0.92 0
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138797 52426534 1 S2N4O5H22C24 A2B4C5D22E24 -78.95 5.55 -9.01 -1.43 0
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138798 52426604 1 SO4N5C26H33 AB4C5D26E33 -99.31 7.73 -8.94 -1.15 0
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138799 52426605 1 SO4N5C26H33 AB4C5D26E33 -99.91 4.43 -8.87 -1.12 0
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138800 52426606 1 SO4N5C26H33 AB4C5D26E33 -100.62 7.77 -8.8 -1.14 -1
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138801 52427126 1 NSO6H14C18 ABC6D14E18 -157.5 2.08 0.0 0.0 0
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138802 52427127 1 ClSN4O4H25C26 ABC4D4E25F26 -70.79 5.24 -9.05 -1.05 0
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138803 52427335 1 ClSN2O2C14H15 ABC2D2E14F15 -55.05 1.94 -8.91 -0.99 0
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138804 52427336 1 NSO2C14H15 ABC2D14E15 -51.59 1.58 -9.06 -0.96 0
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138805 52427346 1 SN2O6C22H26 AB2C6D22E26 -228.65 7.63 -8.82 -1.35 1
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138806 52427407 1 NF3O4C23H23 AB3C4D23E23 -246.81 16.55 0.0 0.0 0
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138807 52427664 2 NOC8H10 ABC8D10 -56.1 5.12 -9.35 -0.02 0
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138808 52428371 1 ClNSO4C20H22 ABCD4E20F22 -146.08 2.96 -8.75 -0.6 0
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138809 52428667 1 NSCl2O4H19C23 ABC2D4E19F23 -103.43 2.63 -8.75 -0.68 0
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138810 52428866 1 NSO4H25C28 ABC4D25E28 -80.63 5.31 -8.52 -0.83 0
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138811 52429277 1 NSCl2O4H11C15 ABC2D4E11F15 -57.47 5.47 -8.74 -1.49 0
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138812 52429278 1 NSCl2O4H11C15 ABC2D4E11F15 -57.64 6.22 -9.12 -1.71 0