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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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231714 87574499 1 BrN2S3O6C28H33 AB2C3D6E28F33 -198.37 3.87 -7.88 -1.7 0
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231715 87574505 2 NNaS2H4C7 ABC2D4E7 -23.29 8.79 -7.29 -0.68 0
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231716 87574506 1 AsO3C8H9 AB3C8D9 -38.93 5.72 -7.36 -0.43 0
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231717 87574509 1 BrNF3O3H19C20 ABC3D3E19F20 -240.84 5.3 -8.81 -0.57 -1
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231718 87574510 1 N2O5C6H13 A2B5C6D13 -116.23 16.63 0.0 0.0 0
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231719 87574511 1 ISO2N3H10C15 ABC2D3E10F15 50.22 4.75 -9.16 -2.0 0
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231720 87574512 1 BrClFNOH16C19 ABCDEF16G19 -24.36 7.6 -9.12 -0.81 0
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231721 87574516 1 SCl2O2N4C30H30 AB2C2D4E30F30 -14.84 4.79 -8.24 -1.16 0
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231722 87574521 2 O5F6H7C16 A5B6C7D16 -932.09 8.67 -10.58 -2.07 0
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231723 87574522 1 F3O3C8H11 A3B3C8D11 -288.95 7.63 -10.82 -0.29 0
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231724 87574523 1 SN2O2C14H14 AB2C2D14E14 -29.19 5.04 -8.01 -1.17 0
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231725 87574524 1 ClON5H20C22 ABC5D20E22 110.47 4.34 -8.58 -1.46 0
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231726 87574525 1 ClON4H15C21 ABC4D15E21 114.59 3.3 -8.65 -1.52 0
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231727 87574526 1 SF3C11H15 AB3C11D15 -144.88 4.3 -9.51 -0.4 0
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231728 87574527 1 KPC6O9H13 ABC6D9E13 -489.75 7.0 0.0 0.0 0
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231729 87574528 1 O3H14C17 A3B14C17 18.71 6.09 -8.17 -1.14 0
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231730 87574529 1 N3O8C68H127 A3B8C68D127 -498.45 5.85 -8.25 0.03 1
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231731 87574530 1 BrON2C33H62 ABC2D33E62 -71.95 4.42 0.0 0.0 0
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231732 87574531 1 N4O5C23H26 A4B5C23D26 -50.52 4.3 -9.74 -1.7 0
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231733 87574532 2 PO2C15H16 AB2C15D16 -78.96 1.89 -8.02 0.04 0
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231734 87574534 1 O2C19H20 A2B19C20 -32.31 2.11 -8.79 -0.48 0
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231735 87574535 1 N2O3F6H6C12 A2B3C6D6E12 -371.83 5.22 -10.17 -2.09 0
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231736 87574536 1 SeN2H6C10 AB2C6D10 94.01 5.91 -9.28 -1.27 0
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231737 87574540 1 NC3O6H7 AB3C6D7 -180.93 5.18 -10.55 -1.83 0
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231739 87574543 1 BrO2C10H13 AB2C10D13 -75.48 4.4 -10.17 -0.57 0
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231740 87574545 1 BNF3O3H9C12 ABC3D3E9F12 -306.02 6.21 -9.38 -1.03 0
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231741 87574546 1 O4C5H8 A4B5C8 -167.22 4.24 -11.08 -0.88 0
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231742 87574547 1 ClON2C22H45 ABC2D22E45 -14.53 89.88 -5.0 -4.33 0
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231743 87574549 1 SO3N4F5C20H21 AB3C4D5E20F21 -320.82 3.88 -9.01 -1.1 0
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231744 87574550 1 NSO5H11C12 ABC5D11E12 -154.83 5.13 -10.38 -1.58 0
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231745 87574554 1 Cl2S2O5N6H24C31 A2B2C5D6E24F31 -82.42 11.93 -9.16 -1.72 0
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231746 87574555 2 NC7H16 AB7C16 -56.68 2.75 -8.53 2.58 0
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231747 87574562 1 NSO2H13C14 ABC2D13E14 -27.8 4.13 -8.37 -1.25 0
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231748 87574571 1 ClNO3C9H22 ABC3D9E22 -157.79 11.84 -8.27 0.42 1
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231749 87574572 1 NO3C9H22 AB3C9D22 -115.69 1.46 0.0 0.0 0
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231750 87574575 1 O2C11H22 A2B11C22 -110.68 2.36 -9.57 1.08 0
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231751 87574589 1 ClON7C16H20 ABC7D16E20 58.49 5.69 -8.91 -0.8 0
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231752 87574592 1 S2O5F9C36H41 A2B5C9D36E41 -606.56 16.78 -9.04 -1.02 0
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231753 87574596 2 O12C112H201 A12B112C201 -1697.04 5.06 -9.29 -0.25 0
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231754 87574598 1 NSiO4C13H25 ABC4D13E25 -120.26 5.46 -7.24 -0.58 2
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231755 87574606 2 NO2C6H13 AB2C6D13 -56.53 10.25 -4.41 -0.32 -1
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231756 87574607 1 NO5C7H14 AB5C7D14 -203.31 10.62 0.0 0.0 1
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231757 87574608 1 NO4C7H14 AB4C7D14 -135.51 17.67 0.0 0.0 0
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231758 87574609 1 N3O3H17C23 A3B3C17D23 -5.73 4.46 -9.5 -1.67 0
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231759 87574610 1 ClSO3C6H9 ABC3D6E9 -141.03 3.62 -9.03 -0.3 0
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231760 87574611 1 O2N3F6C17H19 A2B3C6D17E19 -383.2 10.02 -9.29 -1.06 0
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231761 87574612 1 O3N4F5H13C17 A3B4C5D13E17 -300.18 2.82 -9.3 -1.31 0
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231762 87574613 1 SN4O4C17H32 AB4C4D17E32 -210.15 6.04 -8.81 0.1 0
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231763 87574615 1 NSO3C7H13 ABC3D7E13 -137.93 3.01 -9.03 -0.16 0
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231764 87574616 1 O5C15H18 A5B15C18 -192.52 5.01 -9.33 -0.81 0