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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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445695 135268971 1 NC13H17 AB13C17 59.75 1.68 -8.89 -0.11 0
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445696 135268973 1 O3N6H24C26 A3B6C24D26 28.57 4.11 -8.64 -0.92 0
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445697 135268974 1 NSO2C7H11 ABC2D7E11 -85.33 2.27 -9.49 -0.4 0
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445698 135268984 1 O3N4C12H18 A3B4C12D18 -119.46 5.16 -9.02 -0.46 0
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445699 135268985 1 FO4N6H25C26 AB4C6D25E26 -88.83 8.23 -8.69 -0.97 0
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445700 135268986 1 FOSN5H22C25 ABCD5E22F25 76.08 5.16 -8.63 -1.05 0
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445701 135268987 1 FO2N5H24C26 AB2C5D24E26 0.12 2.56 -8.63 -1.04 0
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445702 135268989 1 F2N2O3C26H26 A2B2C3D26E26 -171.74 2.58 -9.52 -0.76 0
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445703 135268991 1 Cl2O3N4C11H14 A2B3C4D11E14 -83.48 2.71 -9.41 -2.01 0
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445704 135268999 1 F2N2O6C27H32 A2B2C6D27E32 -320.34 7.35 -8.34 -0.62 0
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445705 135269002 1 O2N5C25H25 A2B5C25D25 37.17 4.44 -8.56 -0.74 0
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445706 135269005 1 Cl2N3O5C25H25 A2B3C5D25E25 -168.03 5.55 -9.5 -1.3 0
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445707 135269008 1 F3N3O7C28H32 A3B3C7D28E32 -395.89 8.99 -9.15 -1.04 0
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445708 135269025 1 F2N3C32H33 A2B3C32D33 72.78 5.21 -9.23 -0.95 0
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445709 135269032 1 ClO2C7H7 AB2C7D7 -61.24 3.69 -9.52 -1.17 0
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445710 135269036 4 NC5H9 AB5C9 2.56 5.03 -7.8 0.57 0
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445711 135269037 1 OPN7H24C25 ABC7D24E25 110.86 7.11 -8.52 -0.89 0
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445712 135269049 1 F2N4O4C25H30 A2B4C4D25E30 -224.33 4.16 -8.68 -0.59 0
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445713 135269052 1 O3N5C20H27 A3B5C20D27 -7.56 6.58 -8.17 -0.61 0
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445714 135269059 1 ClF3O4N5H21C22 AB3C4D5E21F22 -241.77 5.81 -9.29 -1.03 0
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445715 135269061 1 O2N4C7H10 A2B4C7D10 -61.04 3.3 -8.81 -0.28 0
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445716 135269077 1 ClO2N5C26H32 AB2C5D26E32 5.41 2.54 -8.47 -0.64 0
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445717 135269080 1 SN4O4C24H28 AB4C4D24E28 -115.57 7.1 -9.17 -0.68 0
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445718 135269084 1 N2C17H30 A2B17C30 1.47 2.92 -8.31 0.96 0
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445719 135269085 1 F3N5O6C18H18 A3B5C6D18E18 -285.19 3.14 -9.31 -0.81 0
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445720 135269087 1 ClF3N3O4H25C26 AB3C3D4E25F26 -283.41 3.98 -9.44 -1.22 0
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445721 135269088 1 BrClF3N4O5C21H23 ABC3D4E5F21G23 -324.58 4.76 -9.4 -1.14 0
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445722 135269091 1 BrClF3N3O4H22C25 ABC3D3E4F22G25 -281.46 6.08 -8.78 -0.94 0
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445723 135269110 1 SF3N5O5C21H22 AB3C5D5E21F22 -278.96 4.78 -8.8 -0.91 0
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445724 135269111 1 SF3O4N5C22H24 AB3C4D5E22F24 -228.9 4.14 -8.47 -0.8 0
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445725 135269114 1 N4O5C18H20 A4B5C18D20 -139.74 6.05 -9.28 -1.26 0
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445726 135269115 1 FN2C15H17 AB2C15D17 -5.78 3.07 -9.32 0.0 0
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445727 135269116 1 ClO2N4C30H37 AB2C4D30E37 -34.7 3.53 -9.08 -0.51 0
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445728 135269117 1 ClOSN6C22H25 ABCD6E22F25 84.73 0.44 -8.1 -0.62 0
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445729 135269135 1 F3N3O5C20H20 A3B3C5D20E20 -298.87 2.74 -9.48 -1.31 0
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445730 135269136 1 N3O4C26H29 A3B4C26D29 -118.81 5.19 -9.25 -0.95 0
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445731 135269160 1 ClO3N5C16H24 AB3C5D16E24 -100.74 5.53 -9.35 -0.09 0
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445732 135269161 1 Cl2O3N4H12C14 A2B3C4D12E14 -41.33 4.11 -9.44 -1.17 0
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445733 135269188 1 N3C19H29 A3B19C29 54.24 1.06 -7.97 0.24 0
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445734 135269189 1 F3O3N5C21H24 A3B3C5D21E24 -196.1 3.75 -9.2 -1.29 0
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445735 135269213 1 O2N4C19H34 A2B4C19D34 -89.32 4.25 -8.04 -0.12 0
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445736 135269215 1 N4O4C17H30 A4B4C17D30 -182.69 3.18 -8.45 -0.06 0
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445737 135269220 1 ClSF3O4N5H19C24 ABC3D4E5F19G24 -204.23 3.13 -9.01 -0.99 0
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445738 135269221 1 FN4O4C22H23 AB4C4D22E23 -118.62 5.93 -9.7 -0.62 0
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445739 135269243 1 FN5C21H26 AB5C21D26 58.1 4.2 -8.19 -0.33 0
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445740 135269247 1 ClN4C20H29 AB4C20D29 70.81 2.1 -8.34 -0.14 0
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445741 135269248 1 Cl2O3N4C17H20 A2B3C4D17E20 -100.37 0.88 -8.96 -0.7 0
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445742 135269286 1 N2F3C12H21 A2B3C12D21 -171.0 3.36 -8.24 1.0 0
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445743 135269287 2 N2O2C12H13 A2B2C12D13 -107.11 5.54 -8.82 -0.92 0
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445744 135269295 1 ON3C18H27 AB3C18D27 15.71 2.03 -8.09 0.22 0
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445745 135269303 1 O3N4C23H26 A3B4C23D26 -66.45 6.16 -9.03 -0.84 0
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445746 135269304 1 ClN5O5C20H22 AB5C5D20E22 -145.43 6.89 -9.2 -0.86 0
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445747 135269306 1 N4C25H30 A4B25C30 96.28 1.33 -7.71 0.31 0
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445748 135269307 1 ClFO3N4C24H26 ABC3D4E24F26 -98.82 1.54 -9.01 -0.69 0
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445749 135269313 1 N4O5C24H28 A4B5C24D28 -115.02 10.03 -8.8 -0.52 0
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445750 135269331 1 ClO3N4C24H31 AB3C4D24E31 -113.22 5.19 -8.89 -0.55 0
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445751 135269332 1 NOSC10H13 ABCD10E13 -10.69 2.84 -9.48 -1.18 0
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445752 135269334 1 F3N4O5C23H25 A3B4C5D23E25 -289.82 4.44 -9.03 -0.74 0
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445753 135269335 1 ClFO3N4C23H24 ABC3D4E23F24 -109.4 5.21 -8.69 -0.75 0
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445754 135269338 1 O3F4H4C9 A3B4C4D9 -197.82 4.55 -9.79 -1.31 0
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445755 135269339 1 ClN4O4C26H29 AB4C4D26E29 -117.59 5.86 -9.02 -0.67 0
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445756 135269346 1 ClF3N4O5C24H28 AB3C4D5E24F28 -314.26 2.21 -8.53 -0.36 0
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445757 135269355 1 O3N4C23H24 A3B4C23D24 -52.17 5.37 -8.83 -0.61 0
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445758 135269357 1 ClO3N5C27H32 AB3C5D27E32 -53.76 4.52 -9.08 -0.96 0
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445759 135269358 1 F2O2N5C23H23 A2B2C5D23E23 -108.93 4.37 -9.18 -0.97 0
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445760 135269360 1 BrN4O5C16H25 AB4C5D16E25 -211.55 3.42 -9.8 -1.17 0
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445761 135269363 1 N4O4C25H30 A4B4C25D30 -47.18 1.45 -8.47 -0.76 0
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445762 135269364 1 FO3N4C20H25 AB3C4D20E25 -133.48 3.1 -8.93 -0.63 0
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445763 135269373 1 O3N4C22H34 A3B4C22D34 -71.86 3.17 -8.47 -0.08 0
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445764 135269387 2 N2O2C12H13 A2B2C12D13 -100.25 3.73 -8.94 -0.64 0
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445765 135269388 1 NPC10H22 ABC10D22 -28.43 2.1 -8.9 1.37 0
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445766 135269391 1 OF3N4C25H27 AB3C4D25E27 -117.18 4.67 -8.4 -0.78 0
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445767 135269392 1 F3N4O5C18H19 A3B4C5D18E19 -309.19 1.96 -9.1 -0.99 0
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445768 135269393 1 FO3N4C25H27 AB3C4D25E27 -86.52 3.75 -8.46 -0.41 0
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445769 135269400 1 N3O5C24H35 A3B5C24D35 -225.95 6.56 -9.05 -0.52 0
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445770 135269420 1 NSF6C24H29 ABC6D24E29 -323.73 6.91 -8.62 -0.91 0
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445771 135269435 2 N2C12H19 A2B12C19 40.68 3.47 -6.98 0.02 0
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445772 135269438 2 FN2O2C11H11 AB2C2D11E11 -180.49 1.75 -9.12 -0.93 0
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445773 135269449 1 F3N4O6C24H27 A3B4C6D24E27 -324.05 3.65 -8.84 -0.49 0
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445774 135269459 1 ClN4O4C25H29 AB4C4D25E29 -100.74 2.56 -8.64 -0.44 0
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445775 135269460 1 IN2O2C22H27 AB2C2D22E27 -28.94 3.43 -8.72 -0.92 0
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445776 135269467 1 O2N3C22H29 A2B3C22D29 -16.22 4.25 -8.7 -0.14 0
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445777 135269469 2 O2C7H12 A2B7C12 -44.09 3.42 -9.14 -0.11 0
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445778 135269470 1 ClO2N5C21H36 AB2C5D21E36 -105.32 1.55 -8.46 -0.08 0
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445779 135269485 1 ClO2N5C23H36 AB2C5D23E36 -68.8 2.7 -8.65 -0.7 0
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445780 135269486 1 O2N3C19H29 A2B3C19D29 -35.28 5.97 -8.59 -0.5 0
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445781 135269489 1 O3N4C26H28 A3B4C26D28 -16.53 7.11 -8.93 -0.69 0
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445782 135269492 1 O2N3C19H31 A2B3C19D31 -54.48 5.07 -8.65 -0.51 0
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445783 135269506 1 N4C29H46 A4B29C46 9.8 1.84 -8.11 0.54 0
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445784 135269516 1 O2N3C15H23 A2B3C15D23 -33.91 5.14 -8.66 -0.48 0
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445785 135269517 1 O3N4C26H28 A3B4C26D28 -12.9 4.49 -9.24 -0.64 0
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445786 135269518 1 N2O3C25H32 A2B3C25D32 -58.93 6.49 -8.84 -0.58 0
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445787 135269540 1 O3N5C30H45 A3B5C30D45 -70.56 6.66 -8.26 -0.48 0
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445788 135269547 1 N3C20H27 A3B20C27 40.59 3.67 -8.69 0.0 1
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445789 135269567 1 NO2C9H18 AB2C9D18 -70.21 4.06 0.0 0.0 0
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445790 135269570 1 N4C27H40 A4B27C40 30.17 1.54 -8.22 0.47 0
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445791 135269571 2 ON2C13H17 AB2C13D17 -1.14 4.67 -8.76 -0.54 0
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445792 135269576 1 N3O3C19H25 A3B3C19D25 -40.51 4.98 -8.91 -0.58 1
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445793 135269582 1 NO2C10H20 AB2C10D20 -74.42 4.12 0.0 0.0 0
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445794 135269583 1 SN2C15H22 AB2C15D22 23.02 6.48 -8.31 -0.07 0