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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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309927 126567827 1 FN6O7H25C27 AB6C7D25E27 -177.17 14.51 -9.58 -1.48 0
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309928 126567886 1 O2N5H31C51 A2B5C31D51 218.45 1.42 -7.96 -1.16 0
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309929 126567981 1 N3H35C59 A3B35C59 343.27 1.91 -8.23 -0.77 0
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309930 126568049 1 ClFN6O6H24C27 ABC6D6E24F27 -213.39 6.45 -9.39 -1.44 0
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309932 126568136 1 Cl2F2N3O3C21H21 A2B2C3D3E21F21 -223.86 3.62 -9.39 -1.03 0
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309933 126568184 1 ClN5O8C30H32 AB5C8D30E32 -280.84 4.81 -9.14 -0.72 0
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309934 126568350 1 SN7H19C24 AB7C19D24 218.69 8.96 -8.45 -1.99 0
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309935 126568385 1 ClO2N4H15C18 AB2C4D15E18 26.25 4.1 -8.94 -1.27 0
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309936 126568390 1 SO2N4C22H22 AB2C4D22E22 32.34 3.22 -8.75 -1.24 0
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309937 126568493 1 O2N5C23H25 A2B5C23D25 28.18 2.41 -8.89 -0.72 0
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309938 126568507 1 BrO2N4H17C19 AB2C4D17E19 24.77 0.85 -9.19 -0.85 0
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309939 126568613 1 F2O2N5C25H25 A2B2C5D25E25 -20.6 5.53 -8.89 -1.02 0
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309940 126568635 1 O2N4H18C19 A2B4C18D19 22.62 2.95 -9.1 -0.7 0
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309941 126568683 1 FNO6C27H28 ABC6D27E28 -148.55 4.38 -8.79 -0.81 0
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309942 126568919 2 FON2H9C10 ABC2D9E10 -78.19 3.37 -9.32 -0.63 0
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309943 126569024 2 O3C7H10 A3B7C10 -256.75 4.41 -10.69 -0.62 0
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309944 126569075 1 O4N5C24H35 A4B5C24D35 -134.32 3.25 -8.41 -0.55 0
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309945 126569174 1 ON2C19H36 AB2C19D36 -95.43 4.41 -8.64 1.18 0
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309946 126569294 1 SN5O9C18H29 AB5C9D18E29 -346.73 7.52 -9.81 -1.3 0
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309947 126569359 1 ClN4O4C14H19 AB4C4D14E19 -94.86 4.63 -10.13 -1.75 0
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309948 126569361 1 ClN4O4C14H19 AB4C4D14E19 -91.78 2.79 -10.3 -1.89 0
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309949 126569502 2 OC18H29 AB18C29 -134.48 1.73 -8.55 0.76 0
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309950 126569586 1 SN4O4C6H8 AB4C4D6E8 -100.55 4.42 -10.57 -1.88 0
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309951 126569750 6 NC4H4 AB4C4 97.9 0.83 -8.36 0.2 0
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309952 126569884 1 NSF2O3C14H19 ABC2D3E14F19 -206.79 6.1 -8.61 -0.36 0
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309953 126570151 2 BrNH8C12 ABC8D12 120.81 0.84 -7.76 -0.52 0
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309954 126570264 1 OC15H16 AB15C16 -0.41 3.68 -9.58 -0.5 0
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309955 126570352 1 ON9C27H29 AB9C27D29 129.87 8.72 -8.13 -1.96 0
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309956 126570380 1 N2C9H16 A2B9C16 21.17 0.8 -8.14 0.49 0
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309957 126570488 1 ClN5O11C57H78 AB5C11D57E78 -422.62 10.88 -9.19 -0.73 0
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309958 126570579 1 SO2N4H22C28 AB2C4D22E28 102.44 4.75 -8.45 -1.89 0
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309959 126570631 1 FNC17H20 ABC17D20 -2.56 1.65 -9.03 -0.02 0
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309960 126570633 1 NC17H23 AB17C23 26.53 2.28 -8.76 0.53 0
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309961 126570639 1 NC17H23 AB17C23 29.25 1.71 -8.74 0.58 0
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309962 126570905 2 NSH8C12 ABC8D12 114.27 0.92 -8.04 -0.49 0
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309963 126571015 1 NC16H17 AB16C17 62.42 5.33 -9.4 -0.73 0
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309964 126571016 1 NSCl2O2C24H25 ABC2D2E24F25 -27.31 6.35 -9.26 -0.48 0
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309965 126571019 1 FNSCl2O2C23H26 ABCD2E2F23G26 -103.22 3.98 -9.48 -0.62 0
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309966 126571231 1 O2N4F5H13C15 A2B4C5D13E15 -250.88 5.79 -9.6 -1.55 0
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309967 126571387 1 ClSO3N4C19H23 ABC3D4E19F23 -47.05 4.81 -9.31 -1.37 0
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309968 126571466 1 FN10O15C58H65 AB10C15D58E65 -639.69 23.74 -8.95 -2.01 0
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309969 126571546 1 FN6H33C34 AB6C33D34 157.91 10.79 -8.32 -1.81 0
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309970 126571569 1 O2N3F5H16C17 A2B3C5D16E17 -240.85 3.14 -9.55 -1.02 0
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309971 126571570 1 O2N4F5H11C15 A2B4C5D11E15 -195.41 7.08 -9.69 -1.66 0
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309972 126571716 1 ON2F3C16H21 AB2C3D16E21 -141.26 2.11 -8.14 -0.09 0
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309973 126571783 1 FNC16H16 ABC16D16 18.45 3.38 -9.6 -1.01 0
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309974 126571821 1 OSF2N6H24C30 ABC2D6E24F30 53.62 8.81 -8.57 -2.1 0
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309975 126571828 1 SN7H27C29 AB7C27D29 194.44 10.28 -8.24 -1.89 0
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309976 126571853 1 FON6H17C25 ABC6D17E25 126.25 7.34 -8.6 -2.11 0
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309977 126571980 1 ClO6C19H19 AB6C19D19 -169.34 4.07 -8.56 -0.82 0
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309978 126572003 1 NO3C25H35 AB3C25D35 -102.49 2.57 -8.78 0.38 0
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309979 126572031 1 O2S3N4C12H22 A2B3C4D12E22 -65.47 8.42 -8.79 -0.86 0
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309980 126572068 1 FN4O6C38H49 AB4C6D38E49 -272.23 6.21 -8.89 -0.55 0
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309981 126572100 1 FN2O5C35H45 AB2C5D35E45 -237.87 4.82 -8.76 -0.41 0
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309982 126572138 1 FN2O5C39H51 AB2C5D39E51 -239.05 4.55 -8.77 -0.4 0
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309983 126572155 2 FNO2C20H23 ABC2D20E23 -226.72 4.72 -8.87 -0.32 0
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309984 126572158 1 F2O3N4C42H56 A2B3C4D42E56 -210.26 8.33 -8.36 -0.06 0
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309985 126572202 1 FN2O5C37H49 AB2C5D37E49 -253.16 5.33 -8.59 -0.24 0
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309986 126572417 1 ClN2O2H15C16 AB2C2D15E16 -68.11 2.53 -8.92 -0.59 0
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309987 126572420 1 N2F3O3C19H19 A2B3C3D19E19 -260.18 2.4 -8.86 -0.44 0
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309988 126572459 1 NO3C7H15 AB3C7D15 -158.9 5.26 -10.21 0.9 0
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309989 126572495 1 O2N3C19H27 A2B3C19D27 -72.82 4.92 -8.07 -0.21 0
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309990 126572511 1 ClF3N3O3C21H21 AB3C3D3E21F21 -244.32 6.86 -8.9 -0.67 0
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309991 126572515 1 BrON2F3H8C10 ABC2D3E8F10 -157.55 1.57 -9.46 -0.82 0
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309992 126572525 1 O2N3C19H23 A2B3C19D23 -41.94 5.25 -8.74 -0.25 0
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309993 126572542 1 BrO2F3N3C17H19 AB2C3D3E17F19 -219.82 4.46 -9.28 -0.71 0
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309994 126572546 1 BrN2O3C12H17 AB2C3D12E17 -53.34 5.58 -9.17 -1.24 0
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309995 126572559 1 O2N3C19H27 A2B3C19D27 -69.49 4.8 -7.98 -0.12 0
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309996 126572574 1 N3O3C23H29 A3B3C23D29 -88.56 4.05 -8.82 -0.34 0
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309997 126572576 1 O2N3C17H23 A2B3C17D23 -55.64 5.2 -8.22 -0.12 0
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309998 126572583 1 OCl2N4C11H20 AB2C4D11E20 -54.36 6.42 -8.63 -0.47 0
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309999 126572604 1 FO2N8H17C19 AB2C8D17E19 -5.29 4.38 -9.06 -0.85 1
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310000 126572607 1 PN5O6C17H17 AB5C6D17E17 -166.43 7.19 0.0 0.0 1
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310001 126572616 1 PN10O13H68C76 AB10C13D68E76 -188.53 7.89 0.0 0.0 0
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310002 126572620 1 PN8O8H33C38 AB8C8D33E38 -86.19 11.2 -8.66 -1.02 0
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310003 126572623 1 O2N5H15C17 A2B5C15D17 45.11 4.95 -8.82 -1.07 0
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310004 126572634 1 ON4C19H20 AB4C19D20 51.39 3.53 -9.22 -0.59 0
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310005 126572640 1 N3H17C19 A3B17C19 95.82 4.48 -8.43 -0.86 0
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310006 126572697 1 INOF3H17C18 ABCD3E17F18 -165.36 3.89 -9.65 -1.25 0
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310007 126572708 1 N3O3C29H41 A3B3C29D41 -139.21 6.48 -8.53 -0.11 0
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310008 126572710 1 N3O3C32H47 A3B3C32D47 -152.01 1.82 -8.3 0.1 0
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310009 126572750 1 FON3C25H28 ABC3D25E28 -50.86 6.41 -9.5 -0.8 0
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310010 126572759 1 O2N3C22H25 A2B3C22D25 -65.28 5.3 -9.04 -0.66 0
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310011 126572771 1 FON3C25H28 ABC3D25E28 -50.94 5.48 -9.46 -0.8 0
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310012 126572772 1 ClON2H21C22 ABC2D21E22 4.03 2.6 -9.42 -0.69 0
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310013 126572795 1 NSO4C11H17 ABC4D11E17 -166.55 5.33 -9.64 -0.35 0
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310014 126572802 1 FON2C23H23 ABC2D23E23 -44.06 4.34 -9.54 -0.54 0
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310015 126572808 1 ClN3O3C23H26 AB3C3D23E26 -117.44 7.4 -8.85 -0.69 0
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310016 126572836 1 NO4C9H13 AB4C9D13 -112.98 5.37 -9.78 -1.09 0
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310017 126572854 1 FN3O4C22H22 AB3C4D22E22 -95.02 4.51 -9.03 -1.18 0
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310018 126572859 1 FN2O3C18H19 AB2C3D18E19 -117.82 7.74 -9.56 -1.08 0
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310019 126572862 2 O3H11C14 A3B11C14 -135.58 1.24 -8.9 -1.5 0
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310020 126572931 1 SF3O5N6C23H27 AB3C5D6E23F27 -281.12 4.91 -8.11 -1.44 0
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310021 126572935 1 FSO3N5C23H30 ABC3D5E23F30 -93.9 4.15 -7.42 -0.62 0
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310022 126572939 1 FSO3N5C22H26 ABC3D5E22F26 -64.81 5.82 -8.02 -0.81 0
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310023 126572940 1 ClFSO4N5C22H25 ABCD4E5F22G25 -157.32 4.28 -8.09 -1.29 0
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310024 126572941 1 SO3F5N6C23H27 AB3C5D6E23F27 -290.31 4.52 -8.33 -1.55 0
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310025 126572943 1 ClFSO2N6C22H24 ABCD2E6F22G24 -15.86 5.11 -7.26 -1.95 0
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310026 126572951 2 OSC5H5 ABC5D5 -37.51 5.38 -9.17 -1.66 0
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310027 126572952 1 FN2O4H7C9 AB2C4D7E9 -97.65 5.73 -9.67 -1.68 0