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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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425946 135133283 1 SO3N5H23C24 AB3C5D23E24 -14.5 12.12 -8.65 -0.72 0
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425947 135133289 1 FO3N4H21C24 AB3C4D21E24 -48.18 10.64 -8.65 -1.34 0
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425948 135133290 1 O2N4H20C23 A2B4C20D23 54.28 10.16 -8.44 -1.4 0
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425949 135133419 1 ON7H15C17 AB7C15D17 124.09 6.42 -9.26 -0.75 0
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425950 135133532 1 BrON6H15C22 ABC6D15E22 145.85 5.03 -9.2 -1.12 0
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425951 135133533 1 ON6H20C22 AB6C20D22 113.52 6.39 -8.18 -0.75 0
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425952 135133534 1 O3N7H19C22 A3B7C19D22 49.13 8.92 -8.97 -0.98 0
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425953 135133536 1 NPO5C14H28 ABC5D14E28 -314.46 1.81 -9.25 0.3 0
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425954 135133541 1 FON5C16H16 ABC5D16E16 29.38 6.25 -9.34 -0.82 0
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425955 135133542 1 ON5C16H17 AB5C16D17 75.61 6.79 -9.27 -0.69 1
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425956 135133545 3 ON2C9H17 AB2C9D17 -142.77 6.57 0.0 0.0 0
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425957 135133546 2 NOH17C25 ABC17D25 152.29 3.79 -7.93 -0.95 0
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425958 135133557 1 PO4N5C15H24 AB4C5D15E24 -81.39 7.12 -10.02 -1.04 0
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425959 135133625 1 O4C21H28 A4B21C28 -155.02 1.25 -9.4 -0.4 0
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425960 135133656 1 F2N3O5C26H27 A2B3C5D26E27 -226.31 7.32 -8.93 -1.29 0
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425961 135133657 1 ClFSN2O5C24H26 ABCD2E5F24G26 -238.72 2.96 -9.28 -1.43 0
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425962 135133661 1 BrNOF2C11H12 ABCD2E11F12 -111.88 2.59 -9.43 -0.66 0
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425963 135133776 1 O2N5C11H17 A2B5C11D17 -27.07 7.51 -9.12 -0.46 0
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425964 135133779 1 ClFO2N5H25C27 ABC2D5E25F27 -33.56 9.41 -8.55 -0.57 0
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425965 135133780 1 OCl2N6C32H34 AB2C6D32E34 46.07 9.46 -8.31 -0.44 0
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425966 135133781 1 OCl2N6C35H40 AB2C6D35E40 23.49 5.74 -8.34 -0.47 0
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425967 135133783 1 OF2N3C12H13 AB2C3D12E13 -90.73 4.71 -8.9 -0.43 0
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425968 135133787 1 ClFN3O4C21H21 ABC3D4E21F21 -160.82 3.16 -7.85 -1.34 0
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425969 135133788 1 OF2N3C12H15 AB2C3D12E15 -81.92 2.88 -8.91 -0.58 0
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425970 135133854 1 SCl2O3N6C33H36 AB2C3D6E33F36 -45.06 5.1 -8.45 -0.49 0
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425971 135133916 1 F5N10H17C23 A5B10C17D23 -33.21 9.66 -9.0 -1.63 0
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425972 135133921 1 ClSF2N2O5C23H23 ABC2D2E5F23G23 -283.31 3.64 -9.47 -1.27 0
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425973 135134030 2 FN5O6C27H33 AB5C6D27E33 -523.74 7.2 -9.14 -0.65 4
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425975 135134054 1 ON3C17H21 AB3C17D21 18.81 8.83 -8.16 -1.22 0
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425976 135134055 1 NC10H17 AB10C17 -9.64 1.73 -7.94 0.87 0
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425977 135134090 1 SF2N6O13C51H70 AB2C6D13E51F70 -630.36 11.55 -8.67 -0.24 0
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425978 135134108 1 FNO4C25H32 ABC4D25E32 -190.98 9.68 -9.41 -0.54 0
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425979 135134187 1 O2N3C14H21 A2B3C14D21 -31.16 5.67 -8.72 0.3 0
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425980 135134188 1 N2S2O3C28H42 A2B2C3D28E42 -142.13 5.95 -8.71 -0.2 0
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425981 135134190 1 NO10C38H59 AB10C38D59 -475.28 2.45 -8.88 -0.11 0
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425982 135134220 1 O2N7C29H35 A2B7C29D35 51.88 4.8 -8.07 -0.9 0
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425983 135134272 1 FN7C26H28 AB7C26D28 89.78 7.7 -8.68 -0.8 0
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425984 135134312 1 F2C21H26 A2B21C26 -88.18 2.6 -9.31 -0.05 0
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425985 135134313 1 O8N9C52H111 A8B9C52D111 -398.48 4.11 -7.94 1.02 0
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425986 135134314 2 ON2C12H12 AB2C12D12 8.18 2.23 -9.0 -0.93 0
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425987 135134315 1 F2O3N5C35H37 A2B3C5D35E37 -121.8 5.82 -8.72 -0.58 0
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425988 135134316 1 N4O5C38H44 A4B5C38D44 -132.36 7.12 -8.37 -0.42 0
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425989 135134318 1 N6O11C42H58 A6B11C42D58 -503.33 7.87 -8.89 -0.44 0
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425990 135134321 1 SN3O3C33H35 AB3C3D33E35 -21.29 6.25 -8.35 -0.32 0
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425991 135134501 1 N3O7C34H39 A3B7C34D39 -264.38 4.22 -9.02 -0.57 0
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425992 135134502 1 O2N4C25H28 A2B4C25D28 5.76 2.09 -8.48 -0.66 0
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425993 135134503 1 O2N5C26H29 A2B5C26D29 6.96 2.41 -8.59 -0.92 0
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425994 135134504 2 ON2C12H13 AB2C12D13 2.85 5.82 -8.54 -0.43 0
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425995 135134505 1 O2N4C27H30 A2B4C27D30 2.29 2.78 -8.58 -0.67 0
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425996 135134506 1 F2O3N4C33H34 A2B3C4D33E34 -106.62 7.55 -8.3 -0.38 0
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425997 135134508 1 NO2C13H25 AB2C13D25 -129.87 3.09 -9.71 0.7 0
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425998 135134628 1 O3N4H22C26 A3B4C22D26 15.54 4.49 -8.22 -0.72 0
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425999 135134629 1 NOF2C23H41 ABC2D23E41 -232.4 2.78 -9.01 2.26 0
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426000 135134632 1 NOC10H19 ABC10D19 -81.91 4.67 -9.64 1.36 0
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426001 135134633 1 NSO2C11H21 ABC2D11E21 -93.58 4.86 -9.41 -0.04 0
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426002 135134762 1 O2C17H26 A2B17C26 -124.3 5.09 -9.54 0.15 0
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426004 135134764 1 FO4N7C21H22 AB4C7D21E22 -66.9 2.59 -8.24 -1.06 0
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426005 135134769 1 NF2O2C15H19 AB2C2D15E19 -189.28 1.35 -9.72 -0.05 0
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426006 135134771 1 ClN7C22H24 AB7C22D24 126.04 4.94 -8.23 -0.9 0
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426007 135134772 1 ClN7C21H24 AB7C21D24 121.82 3.8 -8.05 -0.52 0
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426008 135134773 1 ClON7H18C19 ABC7D18E19 132.87 3.86 -8.48 -1.45 0
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426009 135134775 1 ClN7C20H22 AB7C20D22 119.62 1.53 -8.04 -0.46 0
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426010 135134777 1 ClSO2N6H19C20 ABC2D6E19F20 37.88 8.68 -8.48 -0.93 0
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426011 135134778 1 ClSO2N5H14C17 ABC2D5E14F17 43.12 9.57 -8.65 -1.37 0
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426013 135134883 1 ClO3N7C23H26 AB3C7D23E26 35.85 5.59 -8.38 -1.06 0
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426014 135134887 1 ON4C12H16 AB4C12D16 20.55 2.42 -7.9 0.05 0
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426015 135134888 1 ClON6C21H21 ABC6D21E21 74.37 3.57 -8.24 -0.72 0
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426016 135134892 1 ClN5H14C17 AB5C14D17 124.23 2.37 -8.07 -0.79 0
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426017 135134895 1 ClN6H17C18 AB6C17D18 118.73 6.28 -8.33 -0.58 0
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426018 135134898 1 ClON6C21H21 ABC6D21E21 75.81 3.3 -8.21 -0.68 0
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426019 135134899 1 ClN7C23H26 AB7C23D26 112.0 1.87 -8.06 -0.59 0
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426020 135134900 1 ClN5H16C19 AB5C16D19 137.8 4.22 -8.38 -0.86 0
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426021 135134902 1 O2C21H28 A2B21C28 -39.82 7.81 -8.35 -0.51 0
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426022 135134991 2 N2O2C9H9 A2B2C9D9 -9.31 3.01 -8.1 -1.76 1
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426023 135135011 1 N4O4C16H25 A4B4C16D25 -81.99 4.49 0.0 0.0 0
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426024 135135014 1 N2O3C14H16 A2B3C14D16 -19.8 1.7 -8.56 -0.44 0
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426025 135135021 1 SH18C19 AB18C19 59.73 0.53 -8.98 -0.45 2
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426026 135135022 1 N2O3C16H18 A2B3C16D18 -4.36 1.9 -8.13 -0.22 1
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426027 135135023 1 Br2N2O3C13H13 A2B2C3D13E13 12.91 2.69 0.0 0.0 1
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426028 135135024 1 Cl2N2O3C13H13 A2B2C3D13E13 -19.73 4.62 0.0 0.0 1
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426029 135135025 1 N3O6C14H14 A3B6C14D14 -82.23 5.93 0.0 0.0 2
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426030 135135026 1 N2O3C16H18 A2B3C16D18 -21.29 0.99 -7.9 -0.11 0
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426031 135135027 1 SN3O6H21C23 AB3C6D21E23 -177.19 7.17 -8.88 -0.96 1
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426032 135135127 1 N3O4C20H26 A3B4C20D26 -66.71 3.29 0.0 0.0 0
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426033 135135146 1 SO2N4C18H24 AB2C4D18E24 -51.06 2.65 -8.78 -0.18 0
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426034 135135147 1 ON2C12H18 AB2C12D18 -34.1 2.9 -9.18 0.12 0
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426035 135135148 1 N2F3C12H17 A2B3C12D17 -154.07 3.09 -9.2 -0.38 0
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426036 135135273 1 ON5C20H29 AB5C20D29 -17.31 3.52 -8.73 0.41 0
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426037 135135274 1 F3O3N4H25C27 A3B3C4D25E27 -202.09 6.38 -8.45 -0.89 0
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426038 135135275 1 NF3O4C13H20 AB3C4D13E20 -376.31 2.4 -10.05 0.29 0
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426039 135135276 1 SO2N4C13H14 AB2C4D13E14 -15.68 7.82 -8.54 -0.44 0
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426040 135135277 1 F2O4N5C24H27 A2B4C5D24E27 -203.66 6.95 -8.82 -1.06 0
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426041 135135278 1 O3N4C19H30 A3B4C19D30 -146.06 4.33 -9.52 -1.11 0
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426042 135135298 1 OSN4C18H24 ABC4D18E24 -16.85 3.19 -8.76 -0.17 0
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426043 135135408 2 FNC5H7 ABC5D7 -75.57 4.13 -8.68 -0.2 0
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426044 135135409 1 N2O2C17H26 A2B2C17D26 -114.81 1.79 -9.49 0.13 0
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426045 135135410 1 SO2N4C18H24 AB2C4D18E24 -52.91 3.65 -8.93 -0.37 0
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426046 135135411 1 OSN4C20H28 ABC4D20E28 -29.43 3.22 -8.68 -0.27 0
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426047 135135413 1 ClN2O2F3C16H18 AB2C2D3E16F18 -234.99 3.57 -9.72 -1.36 0
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426048 135135451 1 N2F3C12H17 A2B3C12D17 -157.06 4.59 -8.45 -0.12 0