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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217877 85088525 1 O5C25H28 A5B25C28 -179.53 3.58 -9.05 -0.59 0
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217878 85088526 1 O5C25H28 A5B25C28 -151.54 3.86 -9.42 0.11 0
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217879 85088527 1 N4O5C20H32 A4B5C20D32 -255.67 4.15 -9.47 0.16 0
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217880 85088528 1 ON2F3C23H31 AB2C3D23E31 -173.72 5.25 -9.04 -0.42 0
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217881 85088529 1 SN2O3C23H24 AB2C3D23E24 -11.89 2.88 -9.07 -0.67 0
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217882 85088530 1 SO2N4C22H24 AB2C4D22E24 38.3 3.99 -8.69 -0.22 0
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217883 85088531 2 O2C13H16 A2B13C16 -162.05 2.35 -8.94 0.1 0
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217884 85088532 1 O5C24H40 A5B24C40 -247.1 1.69 -9.63 0.66 0
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217885 85088533 2 OC14H20 AB14C20 -105.05 3.72 -8.81 -0.32 0
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217886 85088534 1 SSiO4C21H32 ABC4D21E32 -161.37 6.35 -9.09 -0.41 0
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217887 85088536 1 FO2N4C20H31 AB2C4D20E31 -139.83 5.64 -8.97 0.05 0
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217888 85088537 1 ClN2O2C24H25 AB2C2D24E25 -34.59 2.37 -9.04 -0.78 0
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217889 85088538 1 BrN4O5C14H25 AB4C5D14E25 -198.69 1.99 -9.87 -0.48 0
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217890 85088539 1 BrO3N4C17H21 AB3C4D17E21 -23.41 7.37 -8.76 -1.84 0
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217891 85088541 1 PN3O7C17H20 AB3C7D17E20 -294.65 7.31 -9.48 -0.84 0
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217892 85088542 1 ON3F6C18H21 AB3C6D18E21 -323.05 3.48 -8.84 -1.21 0
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217893 85088543 1 SN5O6C16H19 AB5C6D16E19 -178.61 8.28 -9.29 -1.31 0
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217894 85088544 1 FSN3O5C18H20 ABC3D5E18F20 -191.62 3.83 -9.13 -1.03 1
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217895 85088545 1 FSN3O5C18H21 ABC3D5E18F21 -206.01 6.94 0.0 0.0 0
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217896 85088549 1 ON3C27H27 AB3C27D27 57.74 3.57 -8.31 -0.3 0
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217897 85088550 1 SN3O4C20H31 AB3C4D20E31 -181.62 6.8 -8.97 -0.17 0
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217898 85088553 1 ClN3F5H17C19 AB3C5D17E19 -167.91 1.65 -9.26 -0.91 0
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217899 85088554 1 ClF2N7H10C19 AB2C7D10E19 103.88 1.52 -9.28 -1.5 0
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217900 85088556 1 ISN2O2H11C15 ABC2D2E11F15 40.14 5.65 -8.48 -1.75 0
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217901 85088559 5 OC5H6 AB5C6 -197.51 4.11 -8.66 -0.75 0
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217902 85088560 2 NO2C12H15 AB2C12D15 -135.09 2.92 -9.47 0.01 0
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217903 85088561 1 SN2O3C23H26 AB2C3D23E26 -73.15 3.44 -8.48 -0.46 0
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217904 85088562 1 SN4O4C19H30 AB4C4D19E30 -183.47 4.97 -8.79 -0.14 0
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217905 85088563 1 SiN2O6C19H32 AB2C6D19E32 -340.61 7.74 -9.26 0.06 0
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217906 85088564 1 O6C23H38 A6B23C38 -297.68 5.29 -9.5 -0.58 0
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217907 85088566 1 O3C27H38 A3B27C38 -147.99 3.86 -9.12 0.39 0
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217908 85088567 1 SiO2C26H38 AB2C26D38 -122.11 3.5 -8.88 0.22 0
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217909 85088568 1 SiO2C26H38 AB2C26D38 -119.2 2.62 -8.97 0.18 0
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217910 85088569 1 BrN2H7O8C14 AB2C7D8E14 -51.93 7.76 -9.78 -2.09 0
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217911 85088570 1 INO2C18H22 ABC2D18E22 -53.66 4.74 -8.65 0.02 1
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217912 85088571 1 NO2C18H22 AB2C18D22 -58.94 3.56 0.0 0.0 0
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217913 85088572 1 SN5O7C15H17 AB5C7D15E17 -158.44 1.78 -9.47 -0.82 0
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217914 85088573 1 N3O3H21C25 A3B3C21D25 12.13 4.11 -8.54 -0.98 0
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217915 85088574 1 N2O5C23H26 A2B5C23D26 -137.78 9.09 -8.4 -1.07 0
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217916 85088575 1 NO5C24H29 AB5C24D29 -201.52 2.18 -9.56 -0.09 0
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217917 85088579 1 NSiO3C24H33 ABC3D24E33 -146.49 1.58 -8.84 -0.42 0
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217918 85088592 1 PS2O3N4C16H21 AB2C3D4E16F21 -115.47 5.44 -9.4 -1.34 0
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217919 85088593 1 O8C21H32 A8B21C32 -356.78 1.94 -9.72 0.44 0
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217920 85088594 1 N2O5C23H28 A2B5C23D28 -193.52 2.64 -9.3 -0.3 0
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217921 85088595 1 SN2O6C19H28 AB2C6D19E28 -258.37 8.55 -9.35 -0.44 0
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217922 85088596 1 OPC28H29 ABC28D29 8.92 4.63 -9.0 -0.12 0
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217923 85088597 1 N2O6C21H36 A2B6C21D36 -322.55 5.02 -9.62 0.31 0
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217924 85088598 2 NO2C12H16 AB2C12D16 -122.77 6.03 -8.83 0.06 0
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217925 85088599 1 O3N4C23H32 A3B4C23D32 -68.83 7.68 -9.39 -0.09 0
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217926 85088600 1 O4N6C19H36 A4B6C19D36 -189.49 6.75 -9.63 -0.11 0