List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
65001 29204317 1 Cl3N3O3C17H22 A3B3C3D17E22 -146.58 2.72 -9.33 -1.05 0
65002 29204318 1 ON2Cl3C13H13 AB2C3D13E13 -19.97 2.96 -9.19 -0.88 0
65003 29204320 1 SCl3O3N4H13C15 AB3C3D4E13F15 -71.09 4.17 -9.52 -1.3 0
65004 29204321 1 OSN2Cl3H13C15 ABC2D3E13F15 -0.74 2.44 -8.76 -0.96 0
65005 29204323 1 SO2Cl3N3H16C17 AB2C3D3E16F17 -40.27 4.23 -8.93 -1.1 0
65006 29204324 1 N2Cl3O4H13C16 A2B3C4D13E16 -105.89 6.07 -9.0 -0.92 0
65007 29204325 1 FOCl3N4H14C18 ABC3D4E14F18 -16.79 1.78 -9.41 -0.91 0
65008 29204326 1 SO2Cl3N3H14C18 AB2C3D3E14F18 -6.45 5.28 -9.17 -0.88 0
65009 29204329 1 SCl3N3O3H12C14 AB3C3D3E12F14 -68.49 4.98 -9.48 -1.27 0
65010 29204330 1 Cl3N3O3H12C16 A3B3C3D12E16 -76.11 2.13 -9.1 -1.1 0
65011 29204331 1 Cl3N3O3H12C16 A3B3C3D12E16 -76.14 5.23 -9.25 -0.95 0
65012 29204332 1 N2O3Cl4H8C16 A2B3C4D8E16 -52.92 4.46 -9.8 -1.57 0
65013 29204333 1 N2O2Cl3H15C16 A2B2C3D15E16 -54.71 4.6 -8.9 -0.79 0
65014 29204334 1 OSN2Cl3H11C13 ABC2D3E11F13 -13.06 3.32 -9.17 -0.88 0
65015 29204335 1 SN3Cl4O4H13C15 AB3C4D4E13F15 -90.03 5.31 -9.43 -1.37 0
65016 29204336 1 SCl3N3O4H14C15 AB3C3D4E14F15 -81.67 4.11 -9.41 -1.16 0
65017 29204337 1 SCl3N3O3C14H18 AB3C3D3E14F18 -123.95 1.67 -9.49 -1.01 0
65018 29204339 1 SO2Cl3N3H12C16 AB2C3D3E12F16 -12.02 1.74 -9.21 -1.03 0
65019 29204340 1 SCl3O3N4H13C16 AB3C3D4E13F16 -35.62 5.68 -9.77 -1.44 0
65020 29204342 1 O2Cl3N4H13C17 A2B3C4D13E17 6.17 2.38 -9.61 -1.08 0
65021 29204343 3 ClNOC6H6 ABCD6E6 -111.06 4.42 -9.22 -1.0 0
65022 29204344 1 BrFON2Cl3H7C13 ABCD2E3F7G13 -42.6 2.89 -9.56 -1.2 0
65023 29204345 1 Cl3N3O3H16C17 A3B3C3D16E17 -75.99 4.44 -9.47 -1.08 0
65024 29204348 1 Cl3N3O3H14C16 A3B3C3D14E16 -92.52 2.19 -9.35 -1.0 0
65025 29204349 1 Cl3N3O3C14H18 A3B3C3D14E18 -145.42 4.32 -9.43 -0.91 0
65026 29204351 1 SCl3N4O4C17H19 AB3C4D4E17F19 -160.96 4.97 -9.49 -1.2 0
65027 29204352 1 SCl3N4O4C17H19 AB3C4D4E17F19 -161.3 3.1 -9.38 -1.03 0
65028 29204354 1 OCl3N4H11C16 AB3C4D11E16 53.16 5.25 -9.23 -0.99 0
65029 29204356 1 FO2Cl3N4H12C17 AB2C3D4E12F17 -26.14 1.58 -9.68 -1.15 0
65030 29204357 1 SN3O3C19H29 AB3C3D19E29 -108.97 7.91 -9.38 -1.23 0
65031 29204358 1 ClFSN2O3C20H24 ABCD2E3F20G24 -154.89 3.4 -8.71 -1.43 0
65032 29204359 1 O2N3C14H21 A2B3C14D21 -82.61 5.82 -9.03 -0.39 0
65033 29204360 1 O2N3C15H23 A2B3C15D23 -85.7 3.88 -9.28 -0.15 0
65034 29204363 1 N2O3C18H28 A2B3C18D28 -156.25 3.63 -9.05 -0.2 0
65035 29204364 1 N2O3C18H28 A2B3C18D28 -155.01 5.64 -9.05 -0.13 0
65036 29204366 2 NO2C11H12 AB2C11D12 -132.03 7.91 -9.1 -0.61 0
65037 29204367 1 N3O3C23H25 A3B3C23D25 -68.65 7.6 -9.1 -0.77 0
65038 29204370 2 NO3C10H13 AB3C10D13 -192.52 7.5 -9.19 -1.14 0
65039 29204373 1 N2S2O6C23H30 A2B2C6D23E30 -222.81 8.12 -8.68 -0.87 0
65040 29204374 1 N2S2O6C23H30 A2B2C6D23E30 -217.57 8.4 -8.75 -0.88 0
65041 29204378 1 SN3O4C25H25 AB3C4D25E25 -92.08 10.99 -8.94 -0.95 0
65042 29204380 1 BrSN2O6C20H23 ABC2D6E20F23 -181.28 4.35 -9.35 -1.59 0
65043 29204381 1 N2O6C19H20 A2B6C19D20 -141.17 10.62 -9.35 -1.65 0
65044 29204382 1 SN3O5C23H25 AB3C5D23E25 -144.3 10.33 -9.07 -1.49 0
65045 29204383 1 N3O5C25H27 A3B5C25D27 -132.95 4.49 -8.93 -0.63 0
65046 29204384 1 SN2O5C19H22 AB2C5D19E22 -168.95 3.15 -9.46 -1.3 0
65047 29204393 1 N2S2O7C22H28 A2B2C7D22E28 -267.65 5.56 -9.25 -1.14 0
65048 29204394 1 SN3O6C22H29 AB3C6D22E29 -260.88 1.47 -9.36 -0.94 0
65049 29204395 1 SN3O6C22H29 AB3C6D22E29 -261.55 6.5 -9.44 -0.97 0
65050 29204399 1 ION3H16C18 ABC3D16E18 50.89 6.67 -8.79 -0.73 0
65051 29204401 1 IN2O4C15H17 AB2C4D15E17 -74.33 5.68 -9.0 -0.8 0
65052 29204403 1 IN2O4C15H17 AB2C4D15E17 -73.02 4.62 -9.18 -0.94 0
65053 29204404 1 IN2O4C15H17 AB2C4D15E17 -75.31 4.05 -9.16 -0.93 0
65054 29204406 1 ClION3C15H17 ABCD3E15F17 9.54 6.7 -8.8 -0.66 0
65055 29204407 1 ClION3H17C19 ABCD3E17F19 40.84 6.69 -8.76 -0.64 0
65056 29204408 1 ISN3O3H14C15 ABC3D3E14F15 -76.4 4.1 -9.05 -0.84 -1
65057 29204409 1 ISN3O4H11C15 ABC3D4E11F15 0.24 5.97 0.0 0.0 0
65058 29204410 1 ISN3O4H12C15 ABC3D4E12F15 -26.06 11.45 -8.73 -1.79 0
65059 29204411 1 IN2O3H15C17 AB2C3D15E17 -54.2 4.49 -8.89 -0.72 0
65060 29204412 1 INF2O2H12C15 ABC2D2E12F15 -130.28 3.16 -9.05 -0.85 0
65061 29204413 1 IN2O3H13C18 AB2C3D13E18 -21.2 7.71 -8.83 -1.13 0
65062 29204414 1 IN2O2C13H17 AB2C2D13E17 -72.42 5.95 -8.81 -0.66 0
65063 29204415 1 ISN3O3H14C15 ABC3D3E14F15 -59.84 8.99 -8.76 -1.31 0
65064 29204416 1 ISN3O3H16C18 ABC3D3E16F18 -25.2 9.66 -8.74 -1.47 0
65065 29204417 1 FION3H15C18 ABCD3E15F18 3.22 3.91 -8.81 -0.88 0
65066 29204418 1 IN2O3H13C16 AB2C3D13E16 -58.47 6.67 -8.96 -0.89 0
65067 29204423 1 ClISN2O4H14C15 ABCD2E4F14G15 -71.27 5.3 -9.05 -1.46 0
65068 29204424 1 ISN3O4C17H20 ABC3D4E17F20 -140.99 6.59 -9.0 -1.1 0
65069 29204425 1 ISN3O4C17H20 ABC3D4E17F20 -139.84 5.22 -9.07 -0.87 0
65070 29204426 1 N2O4C19H26 A2B4C19D26 -112.6 3.43 -8.63 -0.52 0
65071 29204427 1 N2O4C19H26 A2B4C19D26 -108.53 3.89 -8.57 -0.86 0
65072 29204428 1 N2O4C19H26 A2B4C19D26 -116.27 4.8 -8.83 -0.6 0
65073 29204429 1 N2O4C19H26 A2B4C19D26 -112.98 4.11 -8.82 -0.6 0
65074 29204430 1 SN3O3C19H23 AB3C3D19E23 -115.34 3.0 -8.81 -0.67 -1
65075 29204431 1 SN3O4C19H20 AB3C4D19E20 -35.44 5.04 0.0 0.0 0