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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84721 49869441 1 ClO2N3H20C24 AB2C3D20E24 9.43 3.2 -8.44 -0.68 0
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84722 49869445 1 O2N5H25C26 A2B5C25D26 39.91 4.57 -8.13 -0.87 0
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84723 49869453 1 FON4C21H23 ABC4D21E23 -2.51 5.65 -9.45 -0.63 0
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84724 49869459 1 ON4C24H24 AB4C24D24 60.74 5.36 -8.18 -0.59 0
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84725 49869460 1 OCl2N4C21H22 AB2C4D21E22 3.36 8.26 -8.41 -0.48 0
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84726 49869463 1 N3O3C24H25 A3B3C24D25 -41.49 2.68 -8.02 -0.1 0
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84727 49869469 1 FO2N4C26H27 AB2C4D26E27 -40.69 3.65 -8.28 -0.67 0
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84728 49869471 2 ON2C6H6 AB2C6D6 56.02 4.27 -9.81 -1.04 0
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84729 49869472 1 FON6H19C21 ABC6D19E21 38.24 4.16 -8.77 -0.84 0
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84730 49869477 1 O2N5C17H23 A2B5C17D23 -50.71 1.31 -8.45 -0.19 0
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84731 49869478 1 ClNPSO5C20H25 ABCDE5F20G25 -253.24 4.11 -9.08 -0.7 0
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84732 49869481 1 ClNPSO6C22H29 ABCDE6F22G29 -291.81 6.54 -8.72 -0.69 0
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84733 49869491 1 O2N3H23C24 A2B3C23D24 -3.68 2.42 -8.28 -0.4 0
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84734 49869493 1 N3O3H23C25 A3B3C23D25 -45.17 5.49 -8.47 -0.44 0
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84735 49869509 1 ClO2F3N5C27H31 AB2C3D5E27F31 -197.25 6.75 -8.77 -1.23 0
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84736 49869510 1 SO2N6C21H26 AB2C6D21E26 34.2 10.52 -9.71 -1.26 0
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84737 49869511 1 SO2N6C21H26 AB2C6D21E26 34.17 4.97 -9.41 -1.3 0
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84738 49869512 1 SO2N6C19H24 AB2C6D19E24 6.48 7.2 -9.39 -1.24 0
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84739 49869514 1 SF3O3N4C19H25 AB3C3D4E19F25 -245.63 11.84 -9.68 -0.79 0
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84740 49869515 1 FSO3N4C19H27 ABC3D4E19F27 -131.41 12.19 -9.66 -0.71 0
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84741 49869531 1 O4N5H21C26 A4B5C21D26 98.2 4.66 -8.8 -1.58 0
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84742 49869553 1 NO2C15H15 AB2C15D15 -41.19 4.88 -9.39 -0.55 0
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84743 49869565 2 SO3N4C20H24 AB3C4D20E24 -193.57 6.07 -8.4 -0.8 0
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84744 49869566 1 ON3C21H25 AB3C21D25 13.5 3.63 -8.15 -0.25 0
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84745 49869597 1 SO2N6H22C24 AB2C6D22E24 63.47 6.75 -8.23 -1.51 0