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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23364 603211 1 BrNOC11H14 ABCD11E14 -40.12 2.73 -9.82 -0.62 0
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23365 603212 1 BrINOH11C14 ABCDE11F14 16.67 4.06 -8.93 -0.95 0
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23366 603215 1 BrON2S2H9C14 ABC2D2E9F14 61.1 3.16 -9.19 -1.28 0
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23367 603216 1 BrNOH12C17 ABCD12E17 28.89 3.2 -8.62 -0.93 0
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23368 603218 1 BrClN2O3H8C13 ABC2D3E8F13 -3.82 3.0 -9.6 -1.77 0
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23369 603219 1 BrOSN2H15C21 ABCD2E15F21 49.84 1.93 -8.73 -1.04 0
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23370 603220 2 BrNOH5C7 ABCD5E7 -6.52 3.45 -9.48 -0.94 0
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23371 603225 1 BrN2O2F3H6C9 AB2C2D3E6F9 -180.2 3.11 -9.9 -1.36 0
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23372 603227 1 BrNO3H10C17 ABC3D10E17 20.45 3.46 -10.1 -1.34 0
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23373 603228 1 BrO3H7C9 AB3C7D9 -83.23 2.59 -10.13 -1.2 0
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23374 603232 1 BrCl2O2N3H14C17 AB2C2D3E14F17 -29.91 9.62 -8.88 -1.09 0
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23375 603233 1 BrCl2O2N3H14C17 AB2C2D3E14F17 -28.58 3.33 -9.1 -1.07 0
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23376 603239 1 BrNO2C10H10 ABC2D10E10 3.42 3.53 -9.01 -1.04 0
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23377 603271 1 BrO2C12H13 AB2C12D13 -71.09 3.25 -9.87 -0.68 0
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23378 603276 1 BrO2C23H37 AB2C23D37 -131.74 3.04 -9.88 -0.59 0
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23379 603297 1 BrO2C12H15 AB2C12D15 -80.76 3.21 -9.87 -0.73 0
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23380 603298 1 BrNO5H22C24 ABC5D22E24 -120.25 2.96 -8.8 -0.76 0
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23381 603299 1 BrO2C11H11 AB2C11D11 -55.17 2.04 -10.03 -0.97 0
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23382 603300 1 BrClON2H8C12 ABCD2E8F12 13.19 3.02 -9.3 -1.25 0
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23383 603301 1 BrNOS2H12C13 ABCD2E12F13 27.74 5.19 -9.33 -1.12 0
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23384 603304 1 Br2O3H16C18 A2B3C16D18 -78.77 2.99 -9.67 -1.14 0
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23385 603305 1 NBr2O7H39C41 AB2C7D39E41 -152.26 4.37 -8.55 -1.13 0
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23386 603306 1 BrON2H11C13 ABC2D11E13 9.14 2.27 -9.22 -0.76 0
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23387 603307 1 MnNPO2H19C24 ABCD2E19F24 133.45 1.98 -7.23 -0.59 -5
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23388 603308 1 Br2O3H10C17 A2B3C10D17 -27.83 3.64 -9.14 -1.05 0
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23389 603310 1 BrO7H19C23 AB7C19D23 -224.33 3.01 -9.6 -1.68 0
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23390 603311 1 BrNO2H14C20 ABC2D14E20 -0.5 2.27 -8.96 -0.88 0
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23391 603312 1 BrPH16C19 ABC16D19 61.71 2.71 -8.68 -0.02 0
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23392 603317 1 Br2O6H18C21 A2B6C18D21 -189.88 0.94 -10.07 -1.14 0
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23393 603324 1 NOBr2H9C13 ABC2D9E13 9.46 5.64 -8.91 -1.0 0
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23394 603328 1 BrNO4C18H18 ABC4D18E18 -124.52 1.34 -8.57 -0.81 0
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23395 603338 1 S2N3C10H13 A2B3C10D13 46.02 1.47 -8.86 -1.17 0
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23396 603340 3 C5H6 A5B6 3.81 0.7 -8.33 -0.1 0
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23397 603341 1 ON2H10C12 AB2C10D12 24.71 2.57 -8.28 -0.64 0
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23398 603343 1 N2C13H14 A2B13C14 38.78 1.44 -9.41 -0.69 0
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23399 603361 1 ClON2H7C11 ABC2D7E11 34.51 2.78 -9.46 -1.29 0
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23400 603385 1 F2C9H10 A2B9C10 -76.75 2.86 -9.48 -0.36 0
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23401 603386 1 Si2O3C24H50 A2B3C24D50 -300.47 1.36 -9.02 1.43 0
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23403 603388 1 PRuH25C26 ABC25D26 151.26 6.15 -8.37 -2.39 0
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23404 603394 2 NF2O2H4C5 AB2C2D4E5 -267.59 1.9 -10.13 -1.82 0
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23405 603404 1 NO2C20H21 AB2C20D21 -49.08 4.92 -8.56 -0.52 0
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23406 603405 1 O5C19H22 A5B19C22 -185.63 1.47 -8.46 -0.56 0
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23407 603409 2 NO2H7C10 AB2C7D10 -7.48 4.11 -8.82 -1.64 0
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23408 603410 1 SiO3C25H32 AB3C25D32 -116.06 3.59 -8.78 0.27 0
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23409 603411 1 OPN2H23C26 ABC2D23E26 47.61 11.11 -7.72 -0.58 0
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23410 603415 1 NP2C27H27 AB2C27D27 64.79 1.22 -8.08 -0.03 0
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23411 603416 1 P2O4H28C31 A2B4C28D31 -90.68 7.46 -8.2 -0.46 0
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23413 603421 1 ON5H11C12 AB5C11D12 122.06 3.66 -9.08 -1.13 0
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23414 603422 1 ClO2F3N3C7H7 AB2C3D3E7F7 -218.31 5.99 -9.87 -0.66 0
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23415 603423 1 SN3O3C16H23 AB3C3D16E23 -115.73 7.48 -9.61 -0.85 0
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23416 603443 1 OSN4C12H12 ABC4D12E12 40.78 2.81 -8.51 -0.99 0
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23417 603445 1 N2S2O7H10C13 A2B2C7D10E13 -58.91 3.52 -9.43 -2.55 0
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23418 603446 3 FNH2C4 ABC2D4 -37.88 5.71 -10.89 -1.31 0
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23419 603447 1 FO3C9H9 AB3C9D9 -120.65 2.18 -8.84 -0.88 0
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23420 603448 2 NOC10H10 ABC10D10 -10.24 7.86 -8.52 -0.81 0
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23421 603449 1 NOC12H25 ABC12D25 -91.35 1.18 -8.54 2.68 0
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23422 603450 1 ClNO4H8C9 ABC4D8E9 -75.69 3.8 -10.62 -1.91 0
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23423 603451 1 ClO3N5H6C9 AB3C5D6E9 67.97 2.46 -9.94 -2.31 0
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23424 603452 1 ON3H19C20 AB3C19D20 45.26 2.57 -8.7 -0.18 0
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23425 603460 1 SO2F3C9H11 AB2C3D9E11 -258.67 5.56 -10.1 -1.44 0
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23426 603467 1 NO4C22H31 AB4C22D31 -161.18 5.73 -9.43 0.24 0
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23427 603468 1 NO3C15H25 AB3C15D25 -141.83 4.28 -9.3 1.07 0
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23428 603469 1 NO3C15H25 AB3C15D25 -150.61 4.06 -9.26 0.69 0
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23429 603476 1 FNO8C18H24 ABC8D18E24 -364.55 10.39 -8.8 -0.54 0
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23430 603477 1 ClN2O2H5C7 AB2C2D5E7 33.22 1.05 -9.15 -1.69 0
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23431 603478 1 NO4C26H33 AB4C26D33 -158.03 5.43 -9.3 0.31 0
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23432 603479 2 ON2C12H13 AB2C12D13 -16.84 7.01 -9.01 -0.76 0
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23433 603483 1 NO2F3H8C10 AB2C3D8E10 -134.99 3.83 -10.46 -1.34 0
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23434 603484 2 OC8H8 AB8C8 -26.28 4.37 -9.36 -0.24 0
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23435 603485 1 SN2O2C7H8 AB2C2D7E8 -45.04 3.95 -8.96 -0.33 0
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23436 603486 1 ClN3O6H8C16 AB3C6D8E16 2.77 6.47 -10.02 -2.36 0
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23437 603487 2 NOC9H15 ABC9D15 -115.41 2.85 -9.42 -0.84 0
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23438 603496 1 ON2H8C11 AB2C8D11 58.34 1.18 -9.33 -0.83 0
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23439 603531 1 SH8C12 AB8C12 98.79 2.99 -7.99 -1.21 0
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23440 603535 1 OH12C13 AB12C13 13.47 1.98 -8.35 -0.49 0
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23441 603541 1 ClON2C8H9 ABC2D8E9 -17.63 4.66 -9.09 -0.18 0
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23442 603542 1 ON2C14H14 AB2C14D14 52.22 7.25 -10.48 -0.33 0
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23443 603554 1 OH12C13 AB12C13 28.73 0.42 -9.08 0.27 0
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23444 603581 1 O2N3C17H25 A2B3C17D25 -91.02 2.22 -8.77 0.11 0
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23445 603582 1 ClN3O3C7H10 AB3C3D7E10 -100.21 4.32 -10.56 -0.8 0
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23446 603583 1 N3C14H17 A3B14C17 45.75 7.02 -8.85 -0.55 0
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23447 603584 2 NH11C13 AB11C13 95.98 3.07 -8.16 -0.23 0
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23448 603620 1 ClN2O4F6H9C16 AB2C4D6E9F16 -360.91 7.7 -9.56 -1.99 0
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23449 603681 1 PC15H26 AB15C26 -6.18 1.7 0.0 0.0 -5
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23450 603682 1 CoPC17H30 ABC17D30 -20.85 34.24 -10.99 -5.87 -7
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23451 603683 1 ClN2O4C13H15 AB2C4D13E15 -150.49 5.11 -7.99 -0.08 0
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23452 603694 1 SBr2H8C12 AB2C8D12 62.17 0.31 -8.69 -0.55 0
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23453 603764 1 FOH11C14 ABC11D14 -9.15 0.83 -9.62 -0.23 0
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23454 603773 1 N3O4C6H7 A3B4C6D7 -46.97 6.36 -10.6 -1.23 0
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23455 603800 1 ClNOSH4C7 ABCDE4F7 36.92 2.65 -8.77 -1.35 0
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23456 603801 2 NO2H8C10 AB2C8D10 -40.8 6.38 -8.46 -1.03 0
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23457 603806 1 O2H14C15 A2B14C15 -9.83 1.81 -9.03 -0.73 0
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23458 603807 2 NOC13H16 ABC13D16 -64.41 3.87 -8.61 -0.72 0
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23459 603824 1 NOH11C12 ABC11D12 1.28 4.01 -8.88 -0.52 0
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23460 603825 1 ON2C16H20 AB2C16D20 -6.22 2.38 -8.32 0.06 0
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23461 603827 1 NO2H7C11 AB2C7D11 -12.74 8.28 -9.67 -1.81 0
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23462 603829 1 ClNOSH4C7 ABCDE4F7 -24.98 2.29 -9.24 -0.82 0
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23463 603849 1 BrO3N4H9C11 AB3C4D9E11 3.33 7.35 -9.52 -1.48 0
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23464 603850 1 BrO2C11H11 AB2C11D11 -61.13 1.94 -10.0 -1.01 0
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23465 603851 1 ClBr2O2H9C14 AB2C2D9E14 -37.75 1.73 -9.9 -1.32 0