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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25750 630414 2 NO2C9H12 AB2C9D12 -127.49 2.69 -8.47 -0.56 0
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25751 630415 2 NO2C9H12 AB2C9D12 -114.85 3.47 -8.67 -0.82 0
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25752 630416 2 NO2C9H12 AB2C9D12 -170.94 2.92 -9.03 -0.35 0
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25753 630485 1 ON3C21H23 AB3C21D23 33.73 2.73 -8.47 -0.42 0
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25754 630486 1 NO5C18H23 AB5C18D23 -171.33 3.59 -8.82 -0.21 -5
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25755 630489 1 NOC14H16 ABC14D16 3.95 3.13 0.0 0.0 0
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25756 630490 1 NO5C18H23 AB5C18D23 -167.45 2.8 -8.55 0.15 0
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25757 630492 1 NSO2C19H27 ABC2D19E27 -68.49 1.66 -8.05 -0.76 0
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25758 630493 1 FNOH20C22 ABCD20E22 -30.01 7.47 -8.64 -0.76 0
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25759 630494 1 ClN5C17H24 AB5C17D24 30.92 5.39 -8.74 -0.44 0
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25760 630495 1 NOF6H9C15 ABC6D9E15 -273.1 5.24 -10.26 -1.49 0
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25761 630496 1 O5C24H36 A5B24C36 -278.13 4.98 -9.94 0.18 0
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25762 630498 2 NO3C13H28 AB3C13D28 -318.75 3.63 -8.89 1.88 0
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25763 630499 1 N3O4H11C18 A3B4C11D18 -7.73 2.83 -9.44 -1.62 0
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25764 630500 1 OF3N3H14C17 AB3C3D14E17 -128.57 5.24 -8.16 -0.67 0
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25765 630501 1 BrNOCl2H8C12 ABCD2E8F12 -10.11 8.0 -9.01 -0.97 0
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25766 630503 1 Si5O7C21H50 A5B7C21D50 -581.42 1.27 -9.52 0.13 0
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25767 630504 3 FNC6H6 ABC6D6 -85.84 2.81 -8.73 -1.36 0
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25768 630509 1 NOH15C24 ABC15D24 85.78 3.86 -9.3 -1.42 0
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25769 630511 2 O2F3H4C8 A2B3C4D8 -445.77 0.37 -10.7 -1.7 0
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25770 630514 1 O5H22C23 A5B22C23 -128.26 6.51 -8.81 -0.16 0
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25771 630516 2 BrH7C10 AB7C10 64.15 2.17 -8.74 -0.98 0
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25772 630517 1 ClSO2N3H12C15 ABC2D3E12F15 36.65 8.07 -8.61 -1.5 0
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25773 630522 1 O4C23H24 A4B23C24 -86.88 2.95 -8.53 0.23 0
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25774 630523 1 N2O8F9C20H23 A2B8C9D20E23 -805.53 5.5 -10.56 -0.74 0
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25775 630526 1 N8O11C49H82 A8B11C49D82 -535.82 8.08 -9.36 0.0 0
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25776 630527 1 NiON2C30H42 ABC2D30E42 57.11 3.18 -7.24 -0.54 0
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25777 630529 1 NOC31H43 ABC31D43 -43.44 4.16 -8.55 -0.01 -10
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25779 630534 1 B3O5C17H17 A3B5C17D17 -360.33 4.89 -9.24 -0.32 0
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25780 630535 1 FO3C20H27 AB3C20D27 -211.45 4.63 -9.61 0.12 0
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25781 630536 1 N2O2C21H22 A2B2C21D22 11.08 7.87 -7.89 -0.99 0
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25782 630537 1 N2O4H14C19 A2B4C14D19 -95.99 0.41 -9.5 -1.18 0
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25783 630538 1 N2O5C17H22 A2B5C17D22 -92.99 9.81 -9.31 -1.35 0
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25784 630539 1 NCl2O4C17H17 AB2C4D17E17 -143.7 5.08 -9.2 -1.0 0
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25785 630541 1 NSi2O3C20H33 AB2C3D20E33 -212.39 6.89 -9.05 -0.96 0
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25786 630542 1 IOH11C15 ABC11D15 47.24 2.55 -9.46 -1.03 0
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25787 630543 1 N2O5H16C21 A2B5C16D21 -96.89 7.98 -9.17 -1.39 0
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25788 630544 1 ON2C22H26 AB2C22D26 -7.6 0.45 -8.74 0.37 0
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25789 630545 1 SN2O3H14C20 AB2C3D14E20 5.27 7.9 -9.77 -1.23 0
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25790 630555 1 ClO4C44H71 AB4C44D71 -259.46 1.7 -8.67 -0.05 0
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25791 630630 1 N3O4C23H25 A3B4C23D25 -53.81 3.84 -8.72 -1.26 0
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25792 630697 1 N2O3C20H20 A2B3C20D20 -53.73 2.89 -8.76 -0.61 0
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25793 630698 1 FeN4P5C7F10H21 AB4C5D7E10F21 -1011.63 6.9 -6.61 0.41 0
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25794 630866 1 ClN4O6H7C12 AB4C6D7E12 32.5 6.06 -10.17 -2.26 0
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25795 630901 1 ON2S2H18C19 AB2C2D18E19 22.4 2.15 -8.04 -1.47 0
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25796 630914 1 BrClNO2H9C14 ABCD2E9F14 1.93 2.54 -8.93 -1.08 0
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25797 630915 1 INO2H10C13 ABC2D10E13 2.22 0.73 -8.91 -0.98 0
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25798 630925 1 NC25H25 AB25C25 52.05 3.24 -8.09 -0.2 0
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25799 630956 2 NOH8C11 ABC8D11 57.19 2.06 -8.54 -1.29 0
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25800 630957 1 NO3F7H10C16 AB3C7D10E16 -422.87 5.41 -9.21 -1.12 0