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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141363 52866940 1 O4N5C21H23 A4B5C21D23 -45.01 7.08 -8.82 -0.75 0
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141364 52867688 1 N5O5C21H27 A5B5C21D27 -137.51 4.24 -8.48 -0.44 0
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141365 52867952 1 SO2N3C23H23 AB2C3D23E23 -17.85 4.45 -9.05 -0.62 0
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141366 52868354 1 SN2O4C21H28 AB2C4D21E28 -149.18 9.1 -9.02 -0.85 0
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141367 52868396 1 FSN2O3C16H23 ABC2D3E16F23 -166.87 4.45 -9.46 -0.18 0
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141368 52869359 1 NOF3C14H16 ABC3D14E16 -201.36 5.87 -9.61 -0.52 0
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141369 52869399 1 OF3N3C18H20 AB3C3D18E20 -165.73 7.21 -9.94 -1.14 0
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141370 52869400 1 OF3N3C18H20 AB3C3D18E20 -165.17 7.11 -10.0 -1.14 0
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141371 52869401 1 NOF3C14H18 ABC3D14E18 -215.64 6.27 -10.01 -0.63 0
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141372 52869433 1 O2F3N3C17H20 A2B3C3D17E20 -216.26 1.45 -9.54 -0.74 0
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141373 52869593 1 S2N4O6H16C17 A2B4C6D16E17 -111.92 8.26 -9.21 -1.68 0
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141374 52870173 1 O2N5C24H31 A2B5C24D31 -16.77 8.16 -9.02 -0.58 0
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141375 52870272 1 N3O3C20H31 A3B3C20D31 -124.38 2.35 -8.64 0.34 1
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141376 52870551 1 Cl2O2N4C21H29 A2B2C4D21E29 -32.34 6.2 0.0 0.0 0
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141377 52870552 1 Cl2O2N4C21H28 A2B2C4D21E28 -41.99 5.18 -8.88 -1.26 0
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141378 52870992 1 SO2N5C17H17 AB2C5D17E17 20.22 7.69 -8.95 -0.9 0
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141379 52871322 1 FN2O3H13C14 AB2C3D13E14 -98.28 8.15 -8.81 -0.7 0
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141380 52871455 1 O4N6C25H30 A4B6C25D30 -143.57 2.77 -8.78 -1.35 1
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141381 52871637 1 N3O3C18H22 A3B3C18D22 -63.89 4.1 0.0 0.0 0
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141382 52871676 1 SO2N3C18H21 AB2C3D18E21 -43.51 4.2 -8.82 -0.56 1
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141383 52871677 1 SO2N3C18H22 AB2C3D18E22 -15.06 1.22 0.0 0.0 0
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141384 52871678 1 SO2N3C18H21 AB2C3D18E21 -46.09 7.43 -8.66 -0.11 1
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141385 52871679 1 ClFO2N3C19H20 ABC2D3E19F20 -80.43 4.72 0.0 0.0 0
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141386 52871680 1 ClFO2N3C19H19 ABC2D3E19F19 -96.18 7.5 -8.85 -0.68 0
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141387 52871878 1 FSO2N3C26H26 ABC2D3E26F26 -80.21 8.46 -8.75 -1.15 0
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141388 52871952 1 FN3O5C25H28 AB3C5D25E28 -215.45 5.92 -8.94 -0.59 0
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141389 52871953 1 FO2N3C20H28 AB2C3D20E28 -149.86 7.82 -8.81 0.17 0
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141390 52872010 1 SF2N2O3C15H18 AB2C2D3E15F18 -199.34 6.56 -9.7 -0.91 0
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141391 52872449 1 ON3C17H27 AB3C17D27 -52.12 1.82 -8.53 0.26 0
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141392 52872657 1 BrON3C20H24 ABC3D20E24 -12.41 1.27 -8.51 -0.2 0
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141393 52872822 1 SN3O3C16H21 AB3C3D16E21 -52.44 9.03 -9.72 -0.65 0
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141394 52873053 1 ClFSN2O3C17H18 ABCD2E3F17G18 -136.03 3.82 -9.59 -0.64 0
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141395 52873357 1 F2N2O2C13H16 A2B2C2D13E16 -176.36 6.14 -8.99 -0.22 0
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141396 52873609 1 SO2N3C18H19 AB2C3D18E19 15.3 7.5 -9.43 -1.56 0
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141397 52873822 1 ON2C16H18 AB2C16D18 -1.19 4.85 -8.0 0.1 0
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141398 52874060 1 SO2F3N5C11H16 AB2C3D5E11F16 -199.68 1.83 -9.15 -0.8 0
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141399 52874062 1 SO4N5C11H17 AB4C5D11E17 -50.05 4.77 -9.15 -1.14 0
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141400 52874063 1 ClSO2N7C18H22 ABC2D7E18F22 4.64 6.56 -8.91 -0.84 0
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141401 52874064 1 ClSO2N7C18H22 ABC2D7E18F22 4.84 8.05 -8.85 -0.77 0
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141402 52874129 1 SO3N4C20H26 AB3C4D20E26 -66.6 3.72 -9.21 -1.07 0
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141403 52874130 1 SO3N4C20H26 AB3C4D20E26 -69.73 4.32 -9.11 -0.91 0
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141404 52874131 1 N3O4C19H25 A3B4C19D25 -87.96 2.45 -8.77 -0.36 0
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141405 52874132 1 N3O4C19H25 A3B4C19D25 -89.99 2.78 -8.76 -0.34 1
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141406 52874133 1 ClN2O4C22H26 AB2C4D22E26 -109.81 6.74 0.0 0.0 0
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141407 52874134 1 ClN2O4C22H25 AB2C4D22E25 -130.63 6.58 -8.76 -0.23 0
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141408 52874276 1 ON3C15H19 AB3C15D19 12.51 3.31 -8.36 -0.3 0
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141409 52874600 1 FS2N3O3H14C21 AB2C3D3E14F21 16.01 7.48 -9.4 -1.56 0
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141410 52874686 1 ClN2O2C23H25 AB2C2D23E25 -73.05 5.11 -8.54 -0.79 1
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141411 52874744 1 ClO2N3C24H35 AB2C3D24E35 -84.33 3.6 0.0 0.0 1
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141412 52874758 1 SO2N3C23H32 AB2C3D23E32 -45.98 13.04 0.0 0.0 0