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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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436964 135213363 1 N7C31H61 A7B31C61 -12.63 3.75 -8.2 2.43 0
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436966 135213371 1 ClSO4N6C45H49 ABC4D6E45F49 8.07 3.5 -8.43 -0.95 0
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436967 135213377 1 O4N5C17H25 A4B5C17D25 -152.64 5.96 -8.69 -0.34 0
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436968 135213388 1 NC14H25 AB14C25 -15.59 1.73 -8.39 0.99 0
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436969 135213397 1 O2N7C28H35 A2B7C28D35 35.42 4.05 -8.34 -0.45 0
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436970 135213399 1 FO2N4C21H23 AB2C4D21E23 -78.05 7.53 -8.22 -0.01 0
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436971 135213414 1 SN6O6C41H66 AB6C6D41E66 -276.07 5.57 -8.41 -0.93 0
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436972 135213415 1 SN6O6C41H66 AB6C6D41E66 -281.26 4.99 -9.09 -0.23 0
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436973 135213416 1 N2S3C8H12 A2B3C8D12 25.02 3.13 -8.93 -1.08 0
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436974 135213417 1 O5C24H44 A5B24C44 -261.83 2.26 -9.61 0.66 0
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436975 135213418 2 N2O2C9H11 A2B2C9D11 -113.12 2.68 -9.7 -0.76 0
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436976 135213423 1 O2N5C20H23 A2B5C20D23 -34.22 4.2 -8.48 -0.42 0
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436977 135213437 1 O2N5C21H25 A2B5C21D25 -12.9 5.05 -8.49 -0.42 0
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436978 135213450 1 PO6C12H21 AB6C12D21 -295.36 4.64 -9.82 0.52 0
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436979 135213456 1 N2O2F3C16H17 A2B2C3D16E17 -183.19 3.78 -9.62 -0.92 0
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436980 135213462 1 O3N4C33H38 A3B4C33D38 -53.49 3.69 -8.11 -0.24 0
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436981 135213481 1 N2O8C33H40 A2B8C33D40 -273.42 2.54 -7.84 -0.6 0
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436982 135213488 2 NOC7H13 ABC7D13 -126.1 3.06 -8.72 0.94 0
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436983 135213491 1 FN3C24H30 AB3C24D30 -5.78 1.93 -8.82 -0.04 0
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436984 135213510 1 N2O3C18H26 A2B3C18D26 -136.31 6.54 -8.45 -0.33 0
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436985 135213519 1 Cl2N2S2O4C9H12 A2B2C2D4E9F12 -146.95 2.17 -10.21 -1.55 0
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436986 135213522 1 ON2C16H26 AB2C16D26 -44.06 3.17 -8.64 0.28 0
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436987 135213540 1 SO2N3C16H17 AB2C3D16E17 19.68 9.29 -8.67 -0.69 0
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436988 135213543 1 IN2O2C5H9 AB2C2D5E9 -65.35 2.42 -9.39 -3.0 0
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436990 135213567 1 S2N7O10C57H91 A2B7C10D57E91 -426.43 5.82 -8.48 -1.34 0
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436991 135213568 1 ClS2N8O14C71H101 AB2C8D14E71F101 -568.41 7.28 -7.91 -1.66 0
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436993 135213572 1 N2S2O3C14H20 A2B2C3D14E20 -90.94 7.29 -9.03 -1.08 0
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436995 135213574 1 Cl2N3O4H17C22 A2B3C4D17E22 -84.94 6.69 -8.52 -1.25 0
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436996 135213597 1 NO3C12H15 AB3C12D15 -123.77 2.63 -9.6 -0.67 0
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436997 135213602 1 ClO2N5C25H32 AB2C5D25E32 -53.16 3.22 -8.08 -0.57 0
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436998 135213618 1 S2O6N7C16H21 A2B6C7D16E21 -102.81 9.91 -8.43 -1.16 0
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436999 135213627 1 O2N3C25H31 A2B3C25D31 -29.11 4.02 -8.53 -0.49 0
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437000 135213657 1 N2O4H14C15 A2B4C14D15 -115.78 5.37 -9.54 -1.52 0
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437001 135213662 1 SN6O7C17H20 AB6C7D17E20 -142.71 11.15 -8.96 -1.2 0
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437002 135213672 1 O2N5C22H29 A2B5C22D29 -14.33 6.92 -9.01 -0.66 0
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437003 135213677 1 ClN3O3C23H28 AB3C3D23E28 -90.0 3.7 -8.62 -0.26 0
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437004 135213678 1 N2O3C18H24 A2B3C18D24 -112.01 4.44 -8.72 -0.89 0
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437005 135213686 1 N3O3C14H21 A3B3C14D21 -111.71 9.16 -8.41 -0.88 0
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437007 135213692 1 S2N7O25C82H133 A2B7C25D82E133 -1081.95 10.09 -8.62 -1.59 0
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437008 135213708 1 O4N6C33H40 A4B6C33D40 -82.63 5.89 -9.16 -0.52 0
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437009 135213712 2 O4H8C11 A4B8C11 -261.03 7.15 -9.9 -2.23 0
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437010 135213718 1 O3C18H28 A3B18C28 -126.94 2.05 -10.01 0.48 1
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437011 135213723 1 SO7N9C17H24 AB7C9D17E24 -128.97 10.0 0.0 0.0 0
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437012 135213725 1 N7O7C22H33 A7B7C22D33 -212.86 2.55 -9.21 -0.32 0
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437013 135213726 1 SO6N7C14H23 AB6C7D14E23 -149.5 11.56 -8.91 -1.42 0
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437014 135213728 1 SN6O6C18H20 AB6C6D18E20 -97.05 8.56 -9.12 -1.27 0
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437015 135213729 1 SN3O4C17H27 AB3C4D17E27 -131.91 7.3 -8.39 -0.62 0
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437016 135213730 1 O7N12C65H104 A7B12C65D104 -360.04 6.34 -8.95 0.32 0
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437017 135213732 1 SN6O6C18H20 AB6C6D18E20 -95.85 8.25 -9.36 -1.25 0
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437018 135213737 1 NO2C11H19 AB2C11D19 -100.61 5.09 -9.59 -0.02 1
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437019 135213753 1 SN4C19H25 AB4C19D25 94.69 6.32 0.0 0.0 0
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437020 135213781 1 SO3N4C21H26 AB3C4D21E26 -26.58 5.55 -8.26 -0.74 0
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437021 135213811 1 ON3C21H27 AB3C21D27 -16.15 3.3 -8.68 0.18 0
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437022 135213832 1 N4O5C22H26 A4B5C22D26 18.04 3.71 -8.6 -2.5 0
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437023 135213834 1 SN2O2C17H22 AB2C2D17E22 -62.38 4.68 -8.85 -0.06 0
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437024 135213836 1 SN5O9C19H21 AB5C9D19E21 -239.63 15.24 -9.36 -1.33 0
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437025 135213837 1 SN7O7C15H23 AB7C7D15E23 -183.95 9.61 -9.33 -1.16 0
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437026 135213838 1 SN7O7C14H21 AB7C7D14E21 -186.01 10.03 -9.5 -1.15 0
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437027 135213839 1 SO7N8C15H20 AB7C8D15E20 -131.88 11.73 -9.97 -1.21 0
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437028 135213863 1 NO2C15H23 AB2C15D23 -89.08 1.94 -8.98 0.06 0
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437029 135213865 1 N3O3C23H27 A3B3C23D27 -21.67 4.5 -8.19 -0.69 0
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437030 135213866 1 SN3C23H29 AB3C23D29 40.27 3.69 -8.48 0.28 0
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437032 135213987 1 SO2N3C19H25 AB2C3D19E25 -63.63 2.98 -8.93 -0.15 0
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437033 135213990 1 O2N3C25H31 A2B3C25D31 -45.49 3.66 -8.9 0.02 0
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437034 135213992 1 ON3C21H27 AB3C21D27 -23.9 2.51 -9.24 0.24 0
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437035 135213993 1 O2N3C25H27 A2B3C25D27 -16.52 3.56 -8.9 -0.52 0
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437036 135213996 1 ON4C26H28 AB4C26D28 46.94 8.4 -9.23 -0.8 0
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437037 135214012 1 OSN4C21H26 ABC4D21E26 42.19 8.29 -8.61 -0.75 0
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437038 135214013 1 N3O3C24H29 A3B3C24D29 -17.86 7.87 -8.47 -0.42 0
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437039 135214118 1 SN3O3C25H31 AB3C3D25E31 -2.2 8.19 -8.45 -0.63 0
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437040 135214119 1 SN3O3C25H31 AB3C3D25E31 -2.96 4.71 -8.73 -0.67 0
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437041 135214125 1 SN3O3C23H29 AB3C3D23E29 -27.99 4.54 -8.1 -0.54 0
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437042 135214126 1 SO2N3C23H29 AB2C3D23E29 19.6 5.7 -8.64 -0.63 0
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437043 135214129 1 SO2N3C22H27 AB2C3D22E27 19.97 4.55 -8.26 -0.71 0
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437044 135214130 1 SN3O3C22H27 AB3C3D22E27 -23.82 5.01 -8.47 -0.57 0