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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228447 87564535 1 S2O3H10C12 A2B3C10D12 -58.57 6.0 -9.51 -1.45 0
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228448 87564540 1 N3O5C15H23 A3B5C15D23 -175.03 4.2 -10.25 -0.92 1
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228449 87564541 1 N3O5C15H24 A3B5C15D24 -180.52 5.92 0.0 0.0 0
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228451 87564554 1 BrNOC10H12 ABCD10E12 9.96 3.8 -9.69 -0.42 0
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228452 87564559 1 NPO6C9H18 ABC6D9E18 -339.24 2.62 -10.11 0.43 0
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228453 87564561 1 N3O5C17H21 A3B5C17D21 -122.74 6.67 -8.74 -0.99 1
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228454 87564565 1 PSC2O5H6 ABC2D5E6 -225.49 6.62 0.0 0.0 0
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228455 87564566 1 N3O5C17H21 A3B5C17D21 -127.87 11.31 -8.88 -1.0 0
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228456 87564567 1 O5N6C28H30 A5B6C28D30 -127.12 4.59 -8.21 -1.54 0
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228457 87564571 1 FOS2N6H11C18 ABC2D6E11F18 101.45 5.95 -8.76 -1.37 0
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228458 87564578 1 NP2C16H29 AB2C16D29 11.81 2.68 -8.75 1.06 0
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228459 87564583 1 C13O13H20 A13B13C20 -554.08 8.02 -10.18 -0.65 0
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228460 87564595 1 ClO2N3C13H16 AB2C3D13E16 43.8 5.49 -9.21 -0.49 0
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228461 87564597 2 OH12C16 AB12C16 65.31 0.15 -7.74 -1.38 0
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228462 87564601 1 SiO4C7H15 AB4C7D15 -168.7 3.83 0.0 0.0 0
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228463 87564614 1 SO2F3N3H16C21 AB2C3D3E16F21 -140.84 6.14 -8.77 -1.27 0
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228464 87564626 1 FO2S2N6H15C22 AB2C2D6E15F22 82.86 7.85 -8.86 -1.4 0
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228465 87564634 1 SO2N6C19H20 AB2C6D19E20 36.11 3.7 -8.18 -1.53 0
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228466 87564658 1 ON3F6H9C12 AB3C6D9E12 -284.94 5.94 -9.44 -1.34 -6
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228467 87564663 1 FeINOC12H12 ABCDE12F12 180.39 12.18 -6.19 -2.08 0
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228468 87564681 1 BrClFN2O3H15C17 ABCD2E3F15G17 -78.48 2.48 -8.7 -0.92 0
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228469 87564687 1 ClN3O3F5C25H27 AB3C3D5E25F27 -366.21 4.31 -8.58 -1.51 0
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228470 87564689 1 O2N5F8H19C26 A2B5C8D19E26 -300.79 6.52 -8.85 -1.47 0
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228471 87564697 1 BrOF2H11C15 ABC2D11E15 -77.43 1.93 -8.69 -0.61 0
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228472 87564702 1 SiO5C17H36 AB5C17D36 -325.77 2.17 -9.56 0.93 0
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228473 87564708 1 NO2C7H15 AB2C7D15 -103.28 2.54 -9.74 0.04 0
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228474 87564709 1 F3O4H17C21 A3B4C17D21 -249.22 4.42 -8.75 -0.9 0
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228475 87564720 1 FON3C23H24 ABC3D23E24 15.1 5.44 -7.84 -0.26 0
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228477 87564728 1 NO2H17C20 AB2C17D20 41.82 0.59 -8.99 -0.57 0
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228478 87564746 1 NNaO2C4H7 ABC2D4E7 -56.3 5.36 0.0 0.0 0
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228479 87564752 1 SN3F6O6H19C29 AB3C6D6E19F29 -434.77 9.3 -9.96 -1.43 0
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228480 87564755 1 F3O3C5H7 A3B3C5D7 -274.51 3.01 -10.7 -0.72 0
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228481 87564761 1 SN3O3C19H21 AB3C3D19E21 -83.31 6.5 -8.97 -1.28 0
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228482 87564774 1 N2O3C23H26 A2B3C23D26 -47.88 5.68 -8.65 -0.85 0
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228483 87564790 1 ClSO2F3N3H13C16 ABC2D3E3F13G16 -209.78 4.41 -8.75 -1.31 1
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228484 87564797 1 SN3F6O6H18C25 AB3C6D6E18F25 -355.1 5.74 0.0 0.0 0
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228485 87564798 2 NOC9H17 ABC9D17 -114.37 3.27 -9.08 0.93 0
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228486 87564812 1 FSN3O3C16H18 ABC3D3E16F18 -89.97 3.07 -9.84 -1.26 0
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228487 87564825 1 SN2F3O4C19H19 AB2C3D4E19F19 -280.32 6.56 -9.9 -1.53 0
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228488 87564838 1 INO4C7H10 ABC4D7E10 -154.09 3.64 -9.9 -1.83 0
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228489 87564847 2 OC20H20 AB20C20 18.01 2.78 -7.65 -1.28 0
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228490 87564861 1 NO7C10H23 AB7C10D23 -348.56 4.94 -10.29 1.14 0
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228491 87564865 1 N2O3H18C19 A2B3C18D19 -35.45 3.7 -8.96 -0.85 0
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228492 87564869 1 BrClO2H4F6C9 ABC2D4E6F9 -379.07 1.41 -9.99 -1.45 0
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228493 87564902 1 OF3H5C9 AB3C5D9 -126.74 2.18 -10.32 -1.48 0
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228495 87564906 1 ON3C22H23 AB3C22D23 70.63 14.9 -8.47 -1.31 0
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228496 87564930 1 NO6C15H27 AB6C15D27 -313.04 4.39 -10.02 0.18 0
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228497 87564934 1 ClON4F6H19C20 ABC4D6E19F20 -290.34 3.49 -9.07 -1.36 0
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228498 87564959 1 ON3H9C12 AB3C9D12 219.88 3.55 -9.06 -1.84 0
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228499 87564976 2 NOC10H10 ABC10D10 -10.43 3.64 -8.17 -0.86 -6