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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81956 49855400 2 NO2C10H13 AB2C10D13 -141.76 3.57 -8.79 -0.35 0
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81957 49855401 1 N2O3C22H28 A2B3C22D28 -78.64 4.86 -8.57 -0.21 0
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81958 49855402 1 N3O3C19H25 A3B3C19D25 -96.81 3.16 -8.65 -0.26 0
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81959 49855404 1 N2O4C19H30 A2B4C19D30 -181.22 3.99 -8.4 -0.06 0
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81960 49855408 1 N2O2H10C13 A2B2C10D13 1.96 3.8 -8.93 -1.25 0
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81961 49855409 1 N2O3H12C15 A2B3C12D15 -49.49 7.16 -9.4 -1.3 0
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81962 49855410 2 NO2C9H9 AB2C9D9 -113.56 7.01 -9.41 -1.2 0
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81963 49855411 1 N2O2H10C13 A2B2C10D13 -1.74 6.08 -9.01 -1.15 0
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81964 49855412 1 N2O3H12C15 A2B3C12D15 -49.61 0.85 -9.4 -1.42 0
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81965 49855413 2 NO2C9H9 AB2C9D9 -112.88 2.76 -9.34 -1.28 0
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81966 49855415 1 FO2N4H25C28 AB2C4D25E28 5.62 5.07 -8.72 -0.7 0
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81967 49855416 1 O2N6C31H32 A2B6C31D32 15.45 8.35 -8.28 -0.82 0
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81968 49855417 1 ClO2N6C27H27 AB2C6D27E27 34.13 4.66 -8.63 -1.51 0
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81969 49855418 1 O2N5H23C26 A2B5C23D26 74.7 7.61 -8.74 -0.94 0
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81970 49855419 1 O2N5C28H29 A2B5C28D29 13.25 6.33 -8.52 -0.82 0
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81971 49855420 1 SO2N6H20C23 AB2C6D20E23 62.15 6.06 -8.74 -1.24 0
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81972 49855423 1 SN6O8H34C46 AB6C8D34E46 -95.37 7.77 -8.65 -1.26 0
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81973 49855424 1 SO5N6H22C25 AB5C6D22E25 -70.24 7.34 -8.76 -1.27 0
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81974 49855425 1 SN5O9C39H45 AB5C9D39E45 -269.89 5.73 -9.11 -0.81 0
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81975 49855427 1 SN5O9C39H45 AB5C9D39E45 -276.27 3.23 -9.08 -1.01 0
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81976 49855430 1 SN5O9C34H43 AB5C9D34E43 -312.81 8.27 -8.95 -0.67 0
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81977 49855431 1 SF2N5O9C34H41 AB2C5D9E34F41 -398.75 10.96 -9.93 -0.85 0
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81984 49855440 1 NO2C19H33 AB2C19D33 -128.22 5.98 -8.9 -0.18 0
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81985 49855441 1 NO5C16H27 AB5C16D27 -249.62 5.65 -9.52 -0.05 -1
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81986 49855442 1 AlBCaFMgSiO2H4 ABCDEFG2H4 -288.38 5.03 0.0 0.0 0
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81987 49855444 1 N2O3C15H20 A2B3C15D20 -92.28 3.41 -9.56 -0.74 0
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81988 49855445 1 O3N9C45H49 A3B9C45D49 42.86 8.08 -8.44 -0.64 0
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81989 49855447 1 N6O6C35H42 A6B6C35D42 -184.18 4.72 -8.72 -0.6 0
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81990 49855448 1 O2N6C25H26 A2B6C25D26 48.12 6.61 -8.86 -0.72 0
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81991 49855449 1 PO7C16H29 AB7C16D29 -406.26 2.84 -9.39 0.43 0
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81992 49855450 1 PO8C16H29 AB8C16D29 -447.32 3.23 -10.14 0.33 0
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81993 49855451 1 BrPO7C16H28 ABC7D16E28 -403.48 5.36 -9.93 -0.57 0
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81994 49855453 1 PO8C16H29 AB8C16D29 -429.12 4.58 -9.99 0.47 0
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81995 49855455 1 PSF3C12O12H20 ABC3D12E12F20 -732.79 1.76 -11.22 -1.65 0
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81996 49855457 1 N5O5C23H31 A5B5C23D31 -175.21 4.49 -8.83 -0.83 0
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81997 49855458 1 O3N5C23H29 A3B5C23D29 -83.21 5.63 -8.7 -0.77 0
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81998 49855459 1 O4N5C23H27 A4B5C23D27 -87.48 4.6 -8.73 -0.6 0
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81999 49855460 1 O3N6C25H28 A3B6C25D28 -37.52 3.2 -8.73 -0.7 0
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82004 49855465 1 N3O3C34H35 A3B3C34D35 -43.77 3.92 -8.8 -0.18 0
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82005 49855466 2 NO2C8H12 AB2C8D12 -190.15 2.16 -9.12 -0.21 0
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82006 49855467 1 SN2O6C17H26 AB2C6D17E26 -275.42 8.97 -8.62 -0.29 0
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82007 49855470 1 SN2O3H20C21 AB2C3D20E21 -51.7 4.76 -9.03 -0.9 0
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82008 49855472 1 O3N6F8H24C29 A3B6C8D24E29 -365.37 5.72 -9.2 -1.07 0
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82009 49855473 1 OF5N6H23C27 AB5C6D23E27 -127.1 4.52 -9.26 -1.12 0
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82010 49855474 1 O3N6F8H24C29 A3B6C8D24E29 -360.43 3.78 -9.27 -1.13 0
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82011 49855475 1 OF5N6H23C27 AB5C6D23E27 -127.49 2.56 -9.27 -1.13 0
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82012 49855476 1 O3N6F8H24C29 A3B6C8D24E29 -378.27 9.94 -9.23 -1.18 0
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82013 49855477 1 OF5N6H23C27 AB5C6D23E27 -136.23 4.88 -9.31 -1.16 0
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82014 49855478 1 O3N6F8H24C29 A3B6C8D24E29 -379.4 5.8 -9.01 -1.0 0
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82015 49855479 1 OF5N6H23C27 AB5C6D23E27 -137.29 4.68 -9.23 -1.1 0