List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
339023 127260034 1 BrS2O4H13C18 AB2C4D13E18 -83.66 5.34 -8.5 -1.03 0
339024 127260035 1 BrS2O4H19C21 AB2C4D19E21 -91.14 7.67 -8.26 -0.95 0
339025 127260036 1 SO6H12C14 AB6C12D14 -189.27 6.24 -9.83 -1.33 0
339026 127260037 1 SO3C21H36 AB3C21D36 -175.76 3.97 -10.24 -0.62 0
339027 127260038 1 SO4C32H40 AB4C32D40 -130.83 4.57 -9.4 -0.88 0
339028 127260039 1 SO4C15H16 AB4C15D16 -132.28 5.32 -8.67 -0.79 0
339029 127260040 1 SO3C15H24 AB3C15D24 -141.53 3.81 -10.26 -0.68 0
339030 127260041 1 NSF5O5H6C18 ABC5D5E6F18 -282.39 10.78 -9.46 -2.43 0
339031 127260042 2 BrSO3H6C8 ABC3D6E8 -153.81 8.04 -10.14 -1.73 0
339032 127260043 2 ClSO3H6C8 ABC3D6E8 -175.11 7.93 -10.16 -1.41 0
339033 127260044 1 SO5H20C25 AB5C20D25 -108.43 3.36 -8.78 -0.95 0
339034 127260045 1 NSO5C16H17 ABC5D16E17 -92.59 3.28 -9.55 -0.95 0
339035 127260046 1 NSO5C15H15 ABC5D15E15 -90.29 1.59 -9.64 -0.99 0
339036 127260047 1 NSO5H11C13 ABC5D11E13 -82.08 3.17 -9.65 -0.99 0
339037 127260048 1 NSO5H13C14 ABC5D13E14 -85.34 3.36 -9.51 -1.12 0
339038 127260049 1 NSO5C16H17 ABC5D16E17 -88.97 8.31 -9.63 -1.2 0
339039 127260050 1 NSO5C15H15 ABC5D15E15 -87.29 8.38 -9.66 -1.21 0
339040 127260051 1 NSO5C16H17 ABC5D16E17 -92.48 7.91 -9.5 -1.14 0
339041 127260052 1 NSO5C15H15 ABC5D15E15 -88.63 8.22 -9.58 -1.13 0
339042 127260053 1 NSO5H13C14 ABC5D13E14 -83.86 8.3 -9.53 -1.14 0
339043 127260054 1 NSO5H21C22 ABC5D21E22 -99.27 2.35 -9.33 -1.37 0
339044 127260055 1 NSO4C13H19 ABC4D13E19 -171.79 8.51 -9.28 -0.98 0
339045 127260056 1 SN3O4C13H13 AB3C4D13E13 -75.92 5.92 -8.64 -0.84 0
339046 127260057 1 SN3O3C17H19 AB3C3D17E19 -57.38 8.2 -8.73 -0.59 0
339047 127260058 1 SN3O4H17C19 AB3C4D17E19 -67.89 7.58 -8.33 -1.04 0
339048 127260059 1 SN4O5H16C17 AB4C5D16E17 -35.93 6.51 -9.03 -1.23 0
339049 127260060 1 SN3O3C14H21 AB3C3D14E21 -96.3 6.77 -9.31 -0.82 0
339050 127260061 1 SN4O4C12H14 AB4C4D12E14 -78.63 6.22 -8.39 -0.82 0
339051 127260062 1 SO2N3C13H13 AB2C3D13E13 3.11 6.75 -8.27 -0.61 0
339052 127260063 1 BrSCl2O3H7C12 ABC2D3E7F12 -77.79 6.91 -9.19 -1.22 0
339053 127260064 1 BrNSO3H8C11 ABCD3E8F11 -57.19 4.6 -9.77 -0.94 0
339054 127260065 1 ClSO5C13H15 ABC5D13E15 -207.79 2.04 -10.24 -0.74 0
339055 127260066 1 NSO5H17C20 ABC5D17E20 -91.15 2.82 -9.39 -1.5 0
339056 127260067 1 FS2O6C22H29 AB2C6D22E29 -280.36 5.46 -10.3 -0.84 0
339057 127260068 1 SO6C14H18 AB6C14D18 -237.75 3.39 -10.19 -0.68 0
339058 127260069 1 PSN2O5C16H19 ABC2D5E16F19 -194.04 4.22 -9.02 -0.54 0
339059 127260070 1 ClSN3O4H10C13 ABC3D4E10F13 -7.78 4.81 -9.65 -1.73 0
339060 127260071 1 NCl2S2O5H9C12 AB2C2D5E9F12 -152.12 7.64 -9.56 -1.21 0
339061 127260072 1 NSO5H13C14 ABC5D13E14 -82.96 8.61 -9.79 -1.19 0
339062 127260073 1 SN3O4C16H17 AB3C4D16E17 -90.07 3.38 -8.39 -0.78 0
339063 127260074 1 SO2N3C12H17 AB2C3D12E17 -23.45 5.74 -8.78 -0.57 0
339064 127260075 1 NSO3C14H15 ABC3D14E15 -56.26 2.66 -8.52 -0.55 0
339065 127260076 2 ClOSH4C6 ABCD4E6 -39.7 5.63 -9.4 -1.26 0
339066 127260077 1 S2O3H12C13 A2B3C12D13 -77.83 4.81 -8.83 -1.01 0
339067 127260078 1 ClNO2S3H8C13 ABC2D3E8F13 -7.88 5.7 -9.25 -1.33 0
339068 127260079 1 ClO2S2H9C12 AB2C2D9E12 -34.29 6.23 -9.19 -1.18 0
339069 127260080 1 S2O3H12C13 A2B3C12D13 -64.13 4.83 -8.68 -0.98 0
339070 127260081 2 OSH9C10 ABC9D10 -11.34 4.89 -9.16 -0.77 0
339071 127260082 1 O2S2C11H16 A2B2C11D16 -77.08 4.82 -9.39 -0.87 0
339072 127260324 4 OH3C4 AB3C4 -96.81 6.56 -9.51 -1.57 0
339073 127260325 1 O3H14C17 A3B14C17 -62.25 7.89 -9.67 -1.29 0
339074 127260326 1 O3H18C19 A3B18C19 -71.37 4.31 -9.37 -0.77 0
339075 127260327 1 NO5H11C16 AB5C11D16 -55.88 6.75 -10.59 -1.86 0
339076 127260328 4 OH3C4 AB3C4 -98.07 6.89 -9.39 -1.38 0
339077 127260329 1 NO4C25H31 AB4C25D31 -153.76 12.05 -8.68 -0.62 0
339078 127260330 1 NO4C22H25 AB4C22D25 -140.34 11.04 -8.82 -0.67 0
339079 127260331 1 NO4C26H35 AB4C26D35 -167.39 3.5 -8.51 -0.46 0
339080 127260332 1 NO4C25H25 AB4C25D25 -109.84 11.66 -8.83 -0.75 0
339081 127260333 4 OC6H6 AB6C6 -117.15 2.01 -8.86 -0.61 0
339082 127260334 1 N2O3C15H20 A2B3C15D20 -106.89 1.92 -9.09 -0.59 0
339083 127260335 1 N2O2C13H20 A2B2C13D20 -68.59 2.15 -8.82 -0.73 0
339084 127260336 1 N2O2C11H16 A2B2C11D16 -56.77 2.08 -8.95 -0.73 0
339085 127260337 1 NO2H13C14 AB2C13D14 -26.7 3.17 -9.33 -0.9 0
339086 127260338 1 NO2C15H23 AB2C15D23 -92.29 3.25 -9.46 -0.69 0
339087 127260344 1 BrO4C21H25 AB4C21D25 -135.49 2.73 -8.91 -0.58 0
339088 127260345 1 BrNO4H10C14 ABC4D10E14 -36.47 3.22 -10.25 -1.7 0
339089 127260346 1 ClO3C15H21 AB3C15D21 -139.82 1.71 -10.03 -0.82 0
339090 127260347 1 NO2Cl3H10C17 AB2C3D10E17 -28.48 4.09 -9.59 -1.54 0
339091 127260348 1 ClN2O2C12H13 AB2C2D12E13 -14.41 2.67 -9.02 -0.73 0
339092 127260349 1 ClN2O2C11H11 AB2C2D11E11 -6.71 5.06 -9.12 -0.83 0
339093 127260350 1 Cl3O3H13C16 A3B3C13D16 -95.91 4.04 -9.21 -0.86 0
339094 127260351 1 ClN2O2H15C17 AB2C2D15E17 15.8 2.96 -8.58 -0.97 0
339095 127260352 1 ClO2C12H13 AB2C12D13 -83.51 2.27 -10.0 -0.53 0
339096 127260353 1 NO2C12H13 AB2C12D13 -44.85 2.59 -10.15 -0.75 0
339097 127260354 1 O3C22H36 A3B22C36 -176.05 2.85 -10.09 -0.63 0