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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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318335 126650540 1 NSO4C12H15 ABC4D12E15 -97.11 5.44 -9.74 -1.04 0
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318336 126650541 1 SO3F4N4H20C25 AB3C4D4E20F25 -208.51 6.75 -9.46 -1.19 0
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318337 126650543 1 SO3F4N4H20C26 AB3C4D4E20F26 -210.29 7.52 -9.44 -0.98 0
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318339 126650548 2 N4C8H11 A4B8C11 72.93 4.18 -8.36 -0.52 0
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318340 126650554 1 N5C14H17 A5B14C17 54.08 6.61 -8.59 -0.55 -1
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318341 126650577 1 N6O6C22H29 A6B6C22D29 -122.58 8.22 0.0 0.0 0
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318343 126650586 1 SF3O3N5H22C25 AB3C3D5E22F25 -162.18 5.89 -9.44 -1.08 0
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318345 126650592 1 SO4F9H15C24 AB4C9D15E24 -523.28 9.84 -9.71 -1.34 0
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318347 126650600 1 NO3C26H29 AB3C26D29 -77.29 4.61 -8.88 0.04 0
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318348 126650610 1 O2F4N7H11C17 A2B4C7D11E17 -109.19 2.92 -9.6 -1.46 0
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318351 126650615 1 SN2F4O5H20C24 AB2C4D5E20F24 -306.42 6.13 -9.36 -1.19 0
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318352 126650634 1 SF3N4O4H23C27 AB3C4D4E23F27 -206.55 5.18 -9.34 -0.96 0
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318353 126650641 1 ClIOH6C7 ABCD6E7 -25.06 1.77 -9.18 -1.26 0
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318354 126650642 2 NH26C28 AB26C28 167.91 2.83 -7.92 0.25 0
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318355 126650646 1 FO2N5C29H36 AB2C5D29E36 -73.58 6.11 -8.15 -0.65 0
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318357 126650676 1 ClFO3N4C20H20 ABC3D4E20F20 -103.44 1.23 -9.01 -0.59 0
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318358 126650698 1 ClN3O3H14C17 AB3C3D14E17 -37.58 6.72 -9.43 -1.05 0
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318359 126650733 1 SN6O7C13H22 AB6C7D13E22 -204.77 7.96 -9.19 -1.28 0
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318360 126650735 1 NO4C13H17 AB4C13D17 -138.55 6.15 -9.76 -0.06 0
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318361 126650772 1 N2F3O3H23C25 A2B3C3D23E25 -205.53 7.32 -7.99 -0.77 0
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318362 126650784 1 ClFN4O4C22H24 ABC4D4E22F24 -147.31 2.81 -9.02 -0.75 0
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318363 126650790 1 N2O3C24H24 A2B3C24D24 -38.23 4.3 -7.98 -0.39 0
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318364 126650803 1 SN4O7C24H30 AB4C7D24E30 -130.64 9.0 -9.09 -0.68 0
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318367 126650843 2 ON2C7H8 AB2C7D8 -2.14 1.77 -9.51 -0.72 0
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318368 126650846 1 ClN3O3C21H28 AB3C3D21E28 -100.24 4.29 -8.56 0.16 0
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318370 126650849 1 FN3O3C25H26 AB3C3D25E26 -89.14 4.98 -8.12 -0.25 0
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318371 126650859 1 O2N3C18H25 A2B3C18D25 -57.5 4.51 -8.66 -0.07 0
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318373 126650923 1 O3N5C15H15 A3B5C15D15 -13.34 6.1 -9.06 -0.86 0
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318374 126650931 1 ClO3N4C17H17 AB3C4D17E17 -47.64 2.3 -8.96 -0.71 0
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318377 126650975 1 ClFN2O3H18C19 ABC2D3E18F19 -142.02 3.16 -8.94 -0.47 0
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318378 126651008 1 ClON2C18H19 ABC2D18E19 9.31 2.53 -8.85 -0.61 0
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318379 126651009 1 ClO3N4H13C14 AB3C4D13E14 -11.2 5.55 -9.24 -1.06 0
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318380 126651011 1 ClFO2N4H12C17 ABC2D4E12F17 -13.62 2.41 -9.67 -1.21 0
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318381 126651014 1 ClO2N4H13C17 AB2C4D13E17 32.7 3.07 -9.49 -1.14 0
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318382 126651015 1 N2O2C13H16 A2B2C13D16 -4.92 9.1 -8.63 -1.53 0
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318383 126651016 1 ClFNO3C18H19 ABCD3E18F19 -150.12 5.14 -8.97 -0.45 0
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318384 126651022 1 ClSO3C10H11 ABC3D10E11 -96.22 7.38 -9.35 -0.92 0
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318385 126651032 1 ClFO3N4H24C27 ABC3D4E24F27 -70.06 3.48 -8.74 -0.85 0
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318386 126651043 1 ClON3H18C20 ABC3D18E20 43.48 8.92 -9.08 -0.83 0
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318387 126651046 1 O2N4C27H30 A2B4C27D30 6.78 3.01 -8.77 -0.85 0
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318388 126651052 2 NC8H14 AB8C14 -17.86 0.62 -9.29 0.1 0
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318389 126651057 1 ClFN2O8C28H28 ABC2D8E28F28 -319.29 7.28 -9.38 -1.33 0
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318390 126651066 1 BrNS2O6C16H24 ABC2D6E16F24 -256.15 6.8 -9.4 -1.65 0
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318391 126651071 1 N5O21C47H51 A5B21C47D51 -728.18 8.0 -9.4 -2.19 0
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318393 126651085 1 S2N3O5C20H23 A2B3C5D20E23 -29.24 4.21 -9.09 -1.26 0
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318394 126651088 1 BrNOC9H14 ABCD9E14 9.39 2.36 -9.01 0.21 0
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318395 126651097 1 SNa2O8C18H32 AB2C8D18E32 -223.34 94.83 -4.92 -3.71 0
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318396 126651109 1 O2C13H14 A2B13C14 -45.59 3.87 -9.48 -0.28 0
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318397 126651112 1 ON3C7H7 AB3C7D7 47.73 6.76 -8.62 -1.53 0
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318398 126651115 1 ClNO2F3H9C15 ABC2D3E9F15 -186.16 3.75 -9.26 -1.22 0
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318399 126651116 1 ClN3F4O6H28C29 AB3C4D6E28F29 -410.35 10.61 -8.91 -0.93 0
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318400 126651119 1 FCl2O3N8H33C41 AB2C3D8E33F41 112.37 13.07 -9.27 -1.31 0
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318401 126651121 1 N2O2C11H16 A2B2C11D16 -68.25 4.55 -9.32 -0.35 0
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318402 126651127 1 FSN4O5C24H27 ABC4D5E24F27 -106.53 5.67 -8.87 -0.52 0
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318403 126651130 1 INF3O4H9C10 ABC3D4E9F10 -289.96 4.4 -10.02 -1.53 0
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318404 126651131 1 ClFO3N4H16C20 ABC3D4E16F20 -32.04 5.5 -9.33 -1.12 0
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318406 126651135 1 ClF2N2O7C29H31 AB2C2D7E29F31 -355.27 7.97 -9.06 -1.31 0
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318407 126651145 1 FSN4O5C20H23 ABC4D5E20F23 -95.37 6.97 -9.13 -0.65 0
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318409 126651151 1 BrClFNC6H8 ABCDE6F8 -38.87 2.69 -9.46 -0.29 0
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318411 126651168 1 OCl2N4C16H16 AB2C4D16E16 37.26 2.58 -9.0 -0.81 0
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318413 126651181 1 SN4O8C23H28 AB4C8D23E28 -198.47 7.46 -9.02 -0.57 0
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318414 126651197 1 S2N9O11C52H61 A2B9C11D52E61 -131.62 6.64 -8.79 -0.74 0
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318415 126651220 1 O5N7C27H39 A5B7C27D39 -192.38 1.35 -8.37 -0.42 0
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318416 126651229 1 ClO2N3C16H16 AB2C3D16E16 -16.77 4.65 -9.15 -0.98 0
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318417 126651242 1 SN4O6C23H28 AB4C6D23E28 -67.98 5.55 -8.94 -0.51 0
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318419 126651251 1 ClNF3O5C20H21 ABC3D5E20F21 -342.3 2.84 -8.7 -1.09 0
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318420 126651254 1 NO6C15H21 AB6C15D21 -259.52 7.04 -9.09 -0.2 0
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318422 126651261 1 ON7C18H25 AB7C18D25 24.62 2.51 -8.35 -0.39 0
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318423 126651339 2 O2N3C12H16 A2B3C12D16 -129.64 11.14 -8.67 -0.64 0
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318424 126651340 1 ClNF6O6C23H24 ABC6D6E23F24 -567.91 5.99 -9.34 -1.01 0
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318425 126651342 1 NBr2O2C7H9 AB2C2D7E9 -61.82 4.74 -10.27 -0.96 0
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318426 126651346 1 FINOC12H13 ABCDE12F13 -16.33 1.49 -9.54 -1.08 0
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318427 126651349 1 SN4O5C20H24 AB4C5D20E24 -28.65 3.91 -8.81 -0.46 0
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318428 126651350 1 SN4O6C24H30 AB4C6D24E30 -84.23 6.71 -8.75 -0.31 0
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318429 126651355 1 BrNC6H8 ABC6D8 65.68 2.52 -9.36 0.14 0
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318430 126651359 1 S2N8O11C48H60 A2B8C11D48E60 -123.17 3.58 -8.95 -0.67 0
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318431 126651360 1 SN4O5C24H30 AB4C5D24E30 -40.21 4.86 -8.8 -0.51 0
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318432 126651361 1 SN4O6C24H30 AB4C6D24E30 -77.06 5.25 -8.89 -0.49 0
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318433 126651362 1 N7C20H29 A7B20C29 46.95 3.25 -8.29 -0.32 0
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318435 126651365 1 INO3C14H18 ABC3D14E18 -100.37 2.92 -9.53 -0.98 0
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318436 126651366 1 ON7C15H19 AB7C15D19 44.12 7.27 -8.25 -0.3 0
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318437 126651368 1 F2S2N8O11C51H60 A2B2C8D11E51F60 -313.29 9.28 -8.59 -0.76 0
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318438 126651369 1 FSN4O6C25H29 ABC4D6E25F29 -151.5 5.49 -8.86 -0.61 0
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318443 126651379 1 BrN2O5C17H25 AB2C5D17E25 -191.59 4.39 -8.89 -1.05 0
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318445 126651383 1 OCl2N7C16H23 AB2C7D16E23 -36.02 5.16 -8.3 -0.31 0
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318446 126651384 1 ON7C16H21 AB7C16D21 40.05 7.12 -8.15 -0.16 0
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318447 126651385 1 ClN2F3O7C30H32 AB2C3D7E30F32 -413.92 6.11 -8.57 -1.0 0
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318448 126651386 1 O5N6C26H36 A5B6C26D36 -182.14 2.37 -9.05 -0.6 0
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318452 126651420 1 BrN2O3H9C12 AB2C3D9E12 -62.81 6.11 -9.46 -1.48 1
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318454 126651424 1 SCl2F3N4O5C43H53 AB2C3D4E5F43G53 -365.65 6.06 -8.79 -1.15 0
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318455 126651427 1 Cl2N7C15H21 A2B7C15D21 -2.03 7.16 -8.62 -0.7 0
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318456 126651429 1 ON7C19H27 AB7C19D27 20.62 2.6 -8.32 -0.36 0
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318458 126651432 1 N7C13H15 A7B13C15 91.83 6.93 -8.24 -0.26 0
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318459 126651435 1 ON4C10H12 AB4C10D12 24.02 5.62 -8.25 -0.48 0
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318460 126651436 1 ON4H8C10 AB4C8D10 39.99 3.15 -8.92 -1.35 0
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318461 126651438 1 O4N7C27H39 A4B7C27D39 -155.13 8.57 -8.07 -0.22 0
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318462 126651439 1 N6H14C19 A6B14C19 171.27 3.7 -8.9 -1.47 0
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318463 126651441 2 O2C11H16 A2B11C16 -140.15 6.54 -8.59 -0.69 0
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318464 126651442 1 BrNS2O5C12H14 ABC2D5E12F14 -172.51 6.24 -9.29 -1.06 0
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318466 126651451 1 SN4O6C24H30 AB4C6D24E30 -86.4 5.32 -8.88 -0.48 0