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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226645 87550956 1 O4C17H24 A4B17C24 -129.9 4.16 -8.2 0.16 0
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226646 87550957 2 O3C6H8 A3B6C8 -227.81 3.92 -10.64 -0.45 0
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226647 87550958 1 FO2N3H16C19 AB2C3D16E19 67.15 3.34 -9.04 -1.18 0
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226648 87550959 1 ClS2N4O5H29C33 AB2C4D5E29F33 -73.47 1.6 -8.63 -1.0 -1
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226650 87550961 1 MgNaH5C6O7 ABC5D6E7 -368.93 7.27 -9.45 -1.03 0
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226651 87550962 1 SO3C4F5H5 AB3C4D5E5 -399.43 5.55 -12.25 -0.92 0
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226652 87550964 1 ClFNO7H17C21 ABCD7E17F21 -174.71 5.63 -9.54 -1.22 0
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226653 87550968 1 N4O4Si4C19H46 A4B4C4D19E46 -376.41 5.54 -9.51 0.83 0
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226654 87550969 1 NF6H15C17 AB6C15D17 -269.97 2.1 -8.26 -1.52 2
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226655 87550970 1 BrCP2H3O6 ABC2D3E6 -342.8 4.33 -10.95 -1.5 0
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226656 87550971 1 NSC6O6H15 ABC6D6E15 -281.36 2.73 -10.18 -0.26 0
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226657 87550980 1 NO3C4H11 AB3C4D11 -154.35 2.07 -9.82 1.78 0
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226658 87550981 1 BrN4S5O7H23C29 AB4C5D7E23F29 -92.43 14.2 -9.02 -1.54 0
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226659 87550983 2 ON2H8C9 AB2C8D9 109.85 3.84 -9.11 -1.21 0
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226660 87550984 1 ClFON2C10H10 ABCD2E10F10 -29.49 5.59 -10.13 -0.78 1
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226661 87550985 1 ClSN2O4C12H26 ABC2D4E12F26 -183.5 4.83 0.0 0.0 1
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226662 87550986 1 ClSN2O4C12H26 ABC2D4E12F26 -184.87 5.29 0.0 0.0 0
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226663 87550988 1 ClF3N3O5C29H35 AB3C3D5E29F35 -358.9 11.68 -9.66 -0.87 0
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226664 87550989 2 ClO2S2N3C26H32 AB2C2D3E26F32 -84.71 4.33 -8.31 -1.42 0
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226665 87550990 1 FSN4O5H23C24 ABC4D5E23F24 -163.21 8.45 -8.82 -1.41 0
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226666 87550995 1 ClOSN4C15H17 ABCD4E15F17 29.82 2.81 -9.11 -0.8 0
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226667 87550999 1 NSCl2O3H13C14 ABC2D3E13F14 -87.18 10.13 -8.61 -1.23 0
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226668 87551002 2 NPO4C8H20 ABC4D8E20 -509.71 22.84 -9.22 -0.96 2
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226669 87551004 2 NPO4C8H22 ABC4D8E22 -410.09 21.04 -5.42 -0.39 0
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226670 87551006 1 ClSN2O5H27C28 ABC2D5E27F28 -112.78 2.45 -8.84 -1.22 0