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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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238571 92741957 1 O4N5H21C22 A4B5C21D22 -33.11 5.16 -8.8 -1.4 0
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238572 92741959 1 FO3N5H20C25 AB3C5D20E25 -12.59 5.47 -8.87 -1.48 0
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238573 92741962 1 O2F4N5H17C25 A2B4C5D17E25 -132.46 4.78 -9.52 -1.84 0
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238574 92741965 1 S2N3O4C13H17 A2B3C4D13E17 -139.61 6.94 -9.44 -1.53 0
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238575 92741967 1 SN3O3C19H21 AB3C3D19E21 -65.79 9.18 -8.85 -0.73 0
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238576 92741970 1 SN3O5C25H31 AB3C5D25E31 -148.07 8.53 -8.44 -0.72 0
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238577 92741972 1 SN4O4C22H32 AB4C4D22E32 -165.62 4.87 -8.7 -0.47 0
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238578 92741974 1 SN3O4C24H35 AB3C4D24E35 -191.13 12.12 -9.19 -0.56 0
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238579 92741983 2 SN2O2C12H13 AB2C2D12E13 -114.47 8.34 -8.65 -0.83 0
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238580 92741985 1 SN3O5C23H31 AB3C5D23E31 -183.08 6.78 -9.13 -0.53 0
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238581 92741986 1 SN3O5C23H31 AB3C5D23E31 -183.31 5.85 -9.1 -0.51 0
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238582 92741987 1 FN2O2C21H23 AB2C2D21E23 -102.91 3.67 -8.93 -0.54 0
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238583 92741989 1 N2O4H18C19 A2B4C18D19 -118.61 3.71 -9.31 -0.82 0
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238584 92741996 1 N2O4C21H24 A2B4C21D24 -118.65 4.15 -7.94 -0.76 0
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238585 92741997 1 N2O3C20H22 A2B3C20D22 -85.89 3.62 -8.75 -0.66 0
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238586 92741998 1 N2O3C20H22 A2B3C20D22 -87.24 5.04 -8.59 -0.8 0
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238587 92763263 1 SO3N5C31H33 AB3C5D31E33 40.05 1.46 -8.33 -0.72 0
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238588 92763264 1 OSN5C32H35 ABC5D32E35 97.36 2.01 -8.4 -0.68 0
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238589 92763265 1 OSN5C32H35 ABC5D32E35 95.33 1.4 -8.4 -0.72 0
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238590 92763268 1 ClFOSN4C18H22 ABCDE4F18G22 -45.51 3.65 -8.73 -0.47 0
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238591 92763305 1 ClSN2O2C21H25 ABC2D2E21F25 -30.15 4.95 -8.07 -0.32 0
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238592 92763318 2 NO4C17H17 AB4C17D17 -192.54 3.04 -8.18 -0.19 0
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238593 92763319 2 NO4C17H17 AB4C17D17 -188.63 3.75 -8.3 -0.32 0
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238594 92763339 2 NO5C17H18 AB5C17D18 -261.85 2.17 -8.05 -0.26 0
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238595 92763340 2 NO5C17H18 AB5C17D18 -260.6 5.31 -8.0 -0.38 0
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238596 92763343 1 N3C19H43 A3B19C43 -63.39 1.34 -8.24 2.74 0
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238597 92763344 1 ON2C7H18 AB2C7D18 -66.88 3.3 -8.54 2.42 0
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238598 92763348 1 ClN2O2C23H29 AB2C2D23E29 -50.9 2.46 -8.48 -0.94 0
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238599 92763355 1 SN2O4H28C31 AB2C4D28E31 -83.73 5.38 -8.78 -1.32 0
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238600 92763356 2 OSN2C6H12 ABC2D6E12 -66.91 10.36 -8.66 0.06 0
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238601 92763357 2 OSN2C6H12 ABC2D6E12 -66.14 10.41 -8.62 0.18 0
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238602 92763360 2 O2N3C12H17 A2B3C12D17 -90.11 3.43 -8.53 -0.1 0
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238603 92763367 2 NOC12H16 ABC12D16 -51.22 1.98 -8.72 0.11 0
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238604 92763370 1 N2O3C26H34 A2B3C26D34 -92.19 2.79 -8.67 0.05 0
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238605 92763383 1 ClSN2O2C22H27 ABC2D2E22F27 -46.02 6.67 -8.44 -0.34 0
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238606 92763384 1 ClSN2O2C20H23 ABC2D2E20F23 -19.99 4.1 -8.51 -0.56 0
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238607 92763386 1 ClSN2O2C22H27 ABC2D2E22F27 -43.64 3.51 -8.53 -0.46 0
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238608 92763388 1 ClSN2O2C20H23 ABC2D2E20F23 -24.11 3.81 -8.55 -0.6 0
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238609 92763395 1 S2N3O4H11C15 A2B3C4D11E15 -4.65 6.25 -9.19 -1.3 0
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238610 92763397 1 N3C9H17 A3B9C17 13.69 3.84 -9.0 0.9 0
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238611 92763399 1 ON3C8H15 AB3C8D15 -25.02 4.93 -9.12 0.76 0
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238612 92763401 1 N3C9H17 A3B9C17 5.85 3.56 -8.95 0.87 0
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238613 92763405 1 SN2C6H10 AB2C6D10 31.06 1.17 -9.06 -0.46 0
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238614 92763406 1 SN2C6H10 AB2C6D10 29.89 2.15 -9.04 -0.6 0
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238615 92763408 1 N3C10H19 A3B10C19 7.19 3.82 -8.99 0.86 0
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238616 92763414 1 SN2C7H12 AB2C7D12 23.7 1.12 -9.07 -0.42 0
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238617 92763416 1 OSN2C20H24 ABC2D20E24 14.32 3.35 -8.02 -0.01 0
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238618 92763422 1 SN2C7H12 AB2C7D12 10.65 1.81 -9.32 -0.32 0
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238619 92763424 2 ClNC5H6 ABC5D6 12.28 4.29 -9.2 -0.19 0
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238620 92763425 2 ClNC5H6 ABC5D6 13.68 3.59 -8.94 -0.66 0
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238621 92763426 1 ON3C10H19 AB3C10D19 -37.19 2.19 -9.16 0.68 0
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238622 92763429 1 SN2C7H12 AB2C7D12 17.07 2.42 -8.97 -0.39 0
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238623 92763432 1 N2C13H28 A2B13C28 -27.35 1.59 -8.35 2.59 0
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238624 92763433 1 OSN2C7H12 ABC2D7E12 -19.39 2.96 -9.19 -0.2 0
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238625 92763434 1 OSN2C7H12 ABC2D7E12 -19.4 1.79 -9.3 -0.33 0
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238626 92763436 1 N2O3C29H38 A2B3C29D38 -80.8 3.48 -8.66 -0.5 0
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238627 92763441 2 NO2C13H17 AB2C13D17 -111.6 4.75 -8.62 -0.43 0
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238628 92763446 1 SN2C8H14 AB2C8D14 20.51 1.11 -9.11 -0.31 0
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238629 92763447 1 SN2C8H14 AB2C8D14 18.58 1.07 -8.89 -0.46 0
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238630 92763449 1 OSN2C7H12 ABC2D7E12 -16.71 2.91 -9.29 -0.71 0
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238631 92763897 1 SO3N4H10C14 AB3C4D10E14 -2.15 5.64 -9.76 -1.73 1
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238632 92763909 1 ClN2O3H14C16 AB2C3D14E16 -20.73 5.27 0.0 0.0 0
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238633 92763925 1 O3N7C31H39 A3B7C31D39 -11.05 6.68 -8.62 -1.15 0
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238634 92763949 1 SN2O4C18H18 AB2C4D18E18 -117.87 8.69 -8.85 -0.67 1
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238635 92763991 1 N3O3H14C17 A3B3C14D17 51.97 8.53 0.0 0.0 0
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238636 92763998 1 SN2O2C20H20 AB2C2D20E20 -20.29 8.7 -9.34 -1.27 0
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238637 92764006 1 ClSN2O3H17C18 ABC2D3E17F18 -87.31 6.07 -8.78 -0.48 0
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238638 92764076 1 SN2F3O3H13C17 AB2C3D3E13F17 -202.93 9.26 -9.48 -1.89 0
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238639 92764077 1 SN2O5H20C21 AB2C5D20E21 -115.8 3.29 -8.68 -1.64 0
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238640 92764154 2 NSO2C11H12 ABC2D11E12 -136.62 4.46 -8.64 -0.71 0
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238641 92764328 1 ON7C35H39 AB7C35D39 87.23 4.14 -8.46 -0.83 0
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238642 92764517 1 SO2N3C23H27 AB2C3D23E27 1.81 1.08 -8.38 -0.77 0
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238643 92764754 1 ClF3O3N4H22C23 AB3C3D4E22F23 -236.7 5.62 -9.0 -1.01 0
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238644 92764772 1 OSN5C22H31 ABC5D22E31 18.74 3.75 -8.41 -1.12 0
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238645 92764774 1 ON3C19H27 AB3C19D27 -5.66 3.5 -8.3 -0.41 0