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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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31726 3288052 1 ClS2N3O3H22C23 AB2C3D3E22F23 -55.13 6.8 -8.9 -1.25 0
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31727 3288058 1 N4O5H20C22 A4B5C20D22 -127.38 7.99 -8.97 -1.33 0
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31728 3288059 1 N2S2O3C18H20 A2B2C3D18E20 -89.36 4.49 -8.39 -1.11 0
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31729 3288060 1 BrSN2O5C19H25 ABC2D5E19F25 -200.3 4.56 -9.29 -1.03 0
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31730 3288062 1 SO2N4C17H20 AB2C4D17E20 -27.58 5.97 -8.53 -1.88 0
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31731 3288065 1 SCl2N3O3H13C16 AB2C3D3E13F16 -40.18 6.79 -8.99 -0.88 0
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31732 3288067 1 NSO2C17H21 ABC2D17E21 -56.97 5.49 -9.04 -0.34 0
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31733 3288072 1 ClN3O6C24H26 AB3C6D24E26 -195.77 2.84 -8.68 -0.64 0
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31734 3288073 1 SO2N3F6C27H27 AB2C3D6E27F27 -316.29 9.01 -8.29 -0.9 1
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31735 3288074 1 ClN2O2C7H8 AB2C2D7E8 9.59 6.83 0.0 0.0 0
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31736 3288075 1 OSN5C25H25 ABC5D25E25 63.48 3.0 -8.56 -0.63 0
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31737 3288077 1 FSN2O2C26H27 ABC2D2E26F27 -72.75 2.17 -9.16 -0.62 0
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31738 3288079 1 ClS2N3O4C26H26 AB2C3D4E26F26 -87.07 7.28 -9.29 -0.85 0
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31739 3288080 1 SO2F3N3H24C26 AB2C3D3E24F26 -184.76 5.66 -8.36 -1.21 0
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31740 3288086 1 SO2N3C22H25 AB2C3D22E25 -36.13 4.91 -8.6 -0.97 0
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31741 3288087 3 NOC7H9 ABC7D9 -54.65 5.27 -9.59 -0.51 0
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31742 3288089 1 ClSO2N3C15H22 ABC2D3E15F22 -89.97 4.63 -8.79 -0.39 0
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31743 3288093 1 NSO3C19H23 ABC3D19E23 -97.78 4.99 -8.91 -0.64 0
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31744 3288095 1 OCl2N2C23H24 AB2C2D23E24 0.79 4.56 -8.82 -0.52 0
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31745 3288096 1 FON2C24H27 ABC2D24E27 -37.21 5.13 -8.87 -0.23 0
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31746 3288098 1 N2O2C27H34 A2B2C27D34 -44.46 4.75 -8.6 -0.02 0
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31747 3288099 1 N2O3C25H30 A2B3C25D30 -66.3 2.22 -8.52 -0.07 0
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31748 3288100 1 ClON2C19H25 ABC2D19E25 -30.92 1.97 -8.68 0.05 0
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31749 3288106 2 N2O2C17H21 A2B2C17D21 -101.1 2.38 -8.12 0.19 0
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31750 3711129 2 ON2C7H8 AB2C7D8 18.98 6.56 -8.28 -0.39 0
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31751 3711373 1 O2N3H23C24 A2B3C23D24 -12.61 5.77 -8.53 -0.7 0
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31752 3712514 1 ClOSN4H13C17 ABCD4E13F17 97.78 6.44 -9.21 -1.29 0
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31753 3713471 1 N3O3C19H23 A3B3C19D23 -16.98 4.02 -9.44 -1.5 0
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31754 3714087 1 ClO2N4C26H29 AB2C4D26E29 0.22 6.44 -8.69 -0.87 0
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31755 3714463 1 O2N6C25H32 A2B6C25D32 43.44 7.55 -8.86 -0.16 0
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31756 3714947 1 NSO3C16H21 ABC3D16E21 -133.95 1.59 -8.48 -0.5 0
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31757 3715869 1 N3O6C27H29 A3B6C27D29 -160.4 7.6 -8.76 -0.97 0
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31758 3715954 1 N2S2O3C19H24 A2B2C3D19E24 -95.63 8.62 -8.92 -0.87 0
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31759 3717995 1 NOC17H19 ABC17D19 -4.87 3.02 -8.49 0.28 0
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31760 3717999 1 ClSN2O2H15C16 ABC2D2E15F16 -50.7 5.02 -9.24 -0.85 0
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31761 3718001 1 BrClOSF2N4H14C18 ABCDE2F4G14H18 -49.66 4.76 -9.24 -1.03 0
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31762 3718009 1 NSCl2O2F3H12C19 ABC2D2E3F12G19 -184.55 9.7 -9.11 -1.3 0
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31763 3718013 1 NO4C17H21 AB4C17D21 -145.62 11.42 -8.7 -0.35 0
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31764 3718014 1 SF2N2O2H8C14 AB2C2D2E8F14 -87.89 3.37 -9.49 -1.68 0
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31765 3718016 1 SO2N3C19H19 AB2C3D19E19 12.28 2.28 -8.83 -0.83 0
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31766 3718017 1 OSN7C17H21 ABC7D17E21 71.5 2.03 -9.27 -0.8 0
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31767 3718018 1 ClSN2O2C12H15 ABC2D2E12F15 -89.82 2.76 -9.39 -1.33 0
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31768 3718021 1 SCl2O2N3C12H13 AB2C2D3E12F13 -34.28 7.44 -8.6 -0.5 0
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31769 3718022 1 NSCl2O2C15H15 ABC2D2E15F15 -57.38 4.41 -9.4 -1.14 0
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31770 3718035 1 NSO4H15C18 ABC4D15E18 -105.87 8.41 -8.57 -0.96 0
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31771 3718044 1 ON2C28H30 AB2C28D30 49.94 1.47 -8.33 0.08 1
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31772 3718047 1 N2S2Se2H21C25 A2B2C2D21E25 110.58 2.6 0.0 0.0 0
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31773 3718048 1 ClNS2O3H10C14 ABC2D3E10F14 -50.67 3.96 -8.69 -1.12 0
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31774 3718049 1 ON3C32H35 AB3C32D35 42.04 7.6 -8.48 -0.13 0
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31775 3718050 1 BrO2H7C9 AB2C7D9 -64.41 2.14 -9.44 -0.94 0
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31776 3718053 1 O2N4C17H18 A2B4C17D18 30.03 1.95 -8.41 -0.71 0
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31777 3718054 1 N3O3H11C13 A3B3C11D13 25.2 2.38 -9.43 -1.39 0
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31778 3718061 1 BrN2O2H15C20 AB2C2D15E20 42.23 1.21 -8.9 -0.53 0
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31779 3718069 1 Cl2N2O4H14C19 A2B2C4D14E19 -123.02 8.53 -8.99 -1.39 0
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31780 3718095 1 SN4O4C24H36 AB4C4D24E36 -177.09 4.39 -9.14 -0.95 0
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31781 3718107 1 SN2O3H24C25 AB2C3D24E25 -52.33 3.43 -8.39 -0.89 0
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31782 3718115 1 SF2N2O2C18H20 AB2C2D2E18F20 -134.77 4.7 -8.61 -1.09 0
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31783 3718135 1 BrNS2O3H16C19 ABC2D3E16F19 -39.24 7.4 -8.46 -1.05 0
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31784 3718141 1 ION3C10H10 ABC3D10E10 42.57 4.45 -8.49 -0.6 0
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31785 3718171 1 OSF3N6C19H21 ABC3D6E19F21 -92.25 3.38 -8.81 -1.52 0
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31786 3718172 1 ClSN3O3H20C22 ABC3D3E20F22 -12.83 1.91 -8.77 -1.43 0
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31787 3718173 1 NO4H27C30 AB4C27D30 -105.58 1.65 -9.08 -0.27 0
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31788 3718197 1 OC16H16 AB16C16 -6.63 3.01 -9.13 0.21 0
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31789 3718198 1 NCl2O2C19H23 AB2C2D19E23 -65.24 3.06 -8.22 -0.42 0
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31790 3718219 1 NPO6C23H34 ABC6D23E34 -262.47 6.68 -8.54 0.11 0
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31791 3718242 1 FS2N4O4H21C22 AB2C4D4E21F22 -114.35 6.54 -8.59 -1.41 0
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31792 3718267 1 N3O5C20H29 A3B5C20D29 -234.44 3.06 -9.11 -0.71 0
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31793 3718272 1 ClOSN4H17C25 ABCD4E17F25 115.57 5.25 -9.24 -1.21 0
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31794 3718286 1 S2N3O4C19H23 A2B3C4D19E23 -137.69 3.91 -8.52 -0.92 0
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31795 3718313 1 N2S3O5C26H26 A2B3C5D26E26 -115.46 6.26 -8.72 -1.11 0
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31796 3718399 1 O3N4C17H22 A3B4C17D22 -94.29 7.04 -8.01 -0.8 0
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31797 3718404 1 NO6C26H29 AB6C26D29 -222.94 7.06 -9.49 -1.13 0
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31798 3718405 1 NO6C26H29 AB6C26D29 -222.25 5.43 -9.43 -1.06 0
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31799 3718411 1 NO5H15C22 AB5C15D22 -80.87 5.44 -9.28 -1.37 0
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31800 3718415 1 O4C21H28 A4B21C28 -172.92 6.2 -9.13 -0.9 0
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31801 3718757 1 N5O6H9C15 A5B6C9D15 31.99 4.12 -9.41 -1.86 0
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31802 3718761 1 N4O5H10C15 A4B5C10D15 -13.32 11.5 -9.26 -1.72 0
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31803 3718923 1 NSO2H17C20 ABC2D17E20 -2.46 6.78 -8.5 -0.85 0
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31804 3719414 1 ON6C18H20 AB6C18D20 89.56 6.83 -8.7 -0.68 0
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31805 3719427 1 SCl2N2O2C12H18 AB2C2D2E12F18 -79.33 4.8 -8.97 -1.06 0
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31806 3719475 1 FO2N5C22H22 AB2C5D22E22 -42.96 4.52 -8.9 -0.41 0
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31807 3719476 1 SN3O3C17H29 AB3C3D17E29 -127.58 2.06 -9.04 -0.5 0
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31808 3719481 1 O2N3C20H21 A2B3C20D21 7.16 2.21 -7.96 -0.15 0
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31809 3719482 1 SN5O5C24H31 AB5C5D24E31 -130.44 2.12 -8.66 -0.64 0
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31810 3719483 1 BrN3O7H14C19 AB3C7D14E19 -104.83 6.52 -9.26 -2.18 0
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31811 3719520 1 BrNO6H22C23 ABC6D22E23 -160.94 4.64 -8.61 -1.4 0
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31812 3719547 1 FN3O4H20C24 AB3C4D20E24 -88.12 1.66 -8.46 -0.79 0
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31813 3719581 1 ClN3O3C26H26 AB3C3D26E26 -52.98 8.63 -8.46 -0.37 0
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31814 3719593 1 SO2N3H19C20 AB2C3D19E20 33.88 5.3 -8.51 -0.83 0
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31815 3719595 1 SN2O4C18H20 AB2C4D18E20 -98.56 1.26 -8.73 -0.88 0
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31816 3719596 1 ClS2N3O3C26H26 AB2C3D3E26F26 -14.06 6.21 -8.76 -1.6 0
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31817 3719647 1 FNO4H20C28 ABC4D20E28 -90.75 4.83 -8.38 -1.43 0
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31818 3719648 1 SN3O4H15C22 AB3C4D15E22 -5.43 2.66 -9.0 -1.81 0
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31819 3719650 1 ClN2O3C30H33 AB2C3D30E33 -48.91 4.43 -8.47 -0.32 0
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31820 3719651 1 SCl2N3O3C23H27 AB2C3D3E23F27 -86.87 2.82 -8.8 -1.16 0
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31821 3719664 1 F3O3N5C23H30 A3B3C5D23E30 -266.65 7.56 -9.49 -0.95 0
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31822 3719666 1 SO3N6C28H34 AB3C6D28E34 -64.93 9.39 -8.43 -1.07 0
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31823 3719743 2 NSO3C15H19 ABC3D15E19 -180.49 5.44 -8.24 -0.4 0
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31824 3719745 1 FNSO4H22C23 ABCD4E22F23 -152.1 6.27 -9.34 -0.48 0
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31825 3719900 1 NO9C26H45 AB9C26D45 -467.55 4.58 -9.7 0.69 0