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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317856 126646511 1 NSF4O5C28H29 ABC4D5E28F29 -349.54 4.31 -9.33 -1.06 0
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317857 126646518 1 NSO4F5C27H28 ABC4D5E27F28 -360.51 8.61 -9.31 -0.93 0
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317858 126646519 1 SN2O4F5C28H29 AB2C4D5E28F29 -360.71 7.18 -9.51 -1.08 0
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317860 126646533 1 NSF3O4C28H32 ABC3D4E28F32 -271.81 7.52 -9.12 -0.87 0
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317861 126646534 1 ClNSF4O5C28H28 ABCD4E5F28G28 -374.93 4.39 -9.5 -1.03 0
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317862 126646538 1 ClSN2F4O4C31H35 ABC2D4E4F31G35 -335.58 5.2 -9.15 -0.9 0
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317863 126646562 1 NaSO2C8H15 ABC2D8E15 -156.13 7.65 -8.81 0.41 0
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317864 126646572 1 ClFNO8H25C27 ABCD8E25F27 -327.7 5.46 -9.4 -1.43 0
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317865 126646577 1 SF3O5N6H29C31 AB3C5D6E29F31 -234.75 2.48 -9.0 -1.07 0
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317866 126646616 1 SN2F3O3C24H31 AB2C3D3E24F31 -255.19 6.85 -9.16 -0.46 0
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317867 126646643 2 O3C50H76 A3B50C76 -242.44 4.89 -7.65 -0.56 0
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317868 126646645 1 NSO4F6C28H29 ABC4D6E28F29 -421.54 6.64 -9.26 -1.02 0
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317869 126646648 1 NSF4O4C34H35 ABC4D4E34F35 -295.46 6.63 -9.24 -0.7 0
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317871 126646678 1 O3F5N6H9C17 A3B5C6D9E17 -190.28 7.56 -9.91 -1.48 0
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317872 126646689 1 NO3F5C30H30 AB3C5D30E30 -325.16 5.69 -9.27 -0.93 0
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317873 126646698 1 NF3O3H26C27 AB3C3D26E27 -219.84 7.17 -9.17 -0.64 0
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317875 126646733 1 ClNO7H15C19 ABC7D15E19 -86.12 6.89 0.0 0.0 0
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317877 126646792 1 FO6N8C38H45 AB6C8D38E45 -146.8 10.05 -8.81 -1.29 0
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317879 126646799 1 N5O5C31H31 A5B5C31D31 -50.64 3.84 -9.38 -1.51 0
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317880 126647089 1 ISN3H18C19 ABC3D18E19 92.95 2.79 -8.64 -1.05 0
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317881 126647115 1 O7N8C49H52 A7B8C49D52 -162.64 4.69 -8.65 -0.8 0
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317882 126647119 1 SN2F5C17H17 AB2C5D17E17 -219.93 1.1 -8.42 -0.57 -1
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317883 126647121 1 O5N6C27H31 A5B6C27D31 -19.49 39.29 0.0 0.0 0
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317884 126647134 1 O5C22H26 A5B22C26 -199.56 3.78 -9.38 -0.1 0
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317885 126647166 1 O5N7C39H41 A5B7C39D41 -44.19 10.06 -8.73 -0.99 0
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317886 126647194 2 O3N4C24H25 A3B4C24D25 -59.49 2.48 -8.75 -0.96 0
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317887 126647195 1 INO5H20C21 ABC5D20E21 -162.2 3.64 -9.27 -1.16 0
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317888 126647196 1 INO5H20C21 ABC5D20E21 -160.01 7.61 -9.4 -1.57 0
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317890 126647208 1 INO5C24H26 ABC5D24E26 -171.95 5.18 -9.33 -1.2 0
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317891 126647218 1 Cl2O6N8C53H54 A2B6C8D53E54 -106.39 6.19 -8.93 -1.29 0
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317892 126647222 1 N5O5C29H35 A5B5C29D35 -102.04 7.22 -9.27 -0.88 0
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317893 126647224 1 ClO3N7C33H40 AB3C7D33E40 -87.0 2.7 -8.54 -0.44 0
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317896 126647231 1 SO2N3C8H9 AB2C3D8E9 -61.65 7.86 -9.59 -1.33 0
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317897 126647232 1 FCl2O6N8C47H49 AB2C6D8E47F49 -178.72 8.81 -8.99 -1.27 0
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317898 126647233 1 FO6N8C47H47 AB6C8D47E47 -92.62 4.27 -8.72 -1.21 0
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317899 126647236 1 FO6N8C47H47 AB6C8D47E47 -88.39 3.74 -8.91 -1.16 0
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317900 126647274 1 O3C20H32 A3B20C32 -116.62 1.57 -8.99 -0.31 0
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317901 126647280 1 ClSN2F4H9C10 ABC2D4E9F10 -180.14 5.82 -9.17 -0.88 0
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317903 126647349 1 SO2N7C15H19 AB2C7D15E19 15.62 11.72 -8.17 -0.16 0
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317904 126647350 1 SO2N6C18H18 AB2C6D18E18 43.82 6.29 -8.51 -1.32 0
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317905 126647491 1 BrOF3N7H21C27 ABC3D7E21F27 -25.25 7.76 -9.03 -1.23 0
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317906 126647539 2 ClNC3H7 ABC3D7 4.2 3.99 -9.66 -0.28 0
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317907 126647546 1 O5C43H64 A5B43C64 -278.78 8.2 -8.75 -0.98 0
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317909 126647587 1 FNPO4C15H23 ABCD4E15F23 -277.22 5.96 -9.23 -0.11 0
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317910 126647588 1 FNPO4C13H19 ABCD4E13F19 -273.52 3.92 -9.42 -0.3 0
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317911 126647590 1 FNPO4C15H23 ABCD4E15F23 -279.38 3.26 -9.07 -0.06 1
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317912 126647594 1 NPO3C9H19 ABC3D9E19 -167.19 2.64 0.0 0.0 0
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317913 126647598 1 BrClFPN3O9C21H25 ABCDE3F9G21H25 -476.83 5.17 -10.01 -1.48 0
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317914 126647599 1 O3N4H12C13 A3B4C12D13 4.72 5.93 -9.53 -1.29 0
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317918 126647641 1 BrClPN3O8C15H21 ABCD3E8F15G21 -363.63 8.11 0.0 0.0 0