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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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233994 92297488 1 NSO6H15C16 ABC6D15E16 -217.3 3.33 -9.89 -1.57 0
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233995 92297489 1 NO4C15H21 AB4C15D21 -187.92 4.05 -8.67 0.24 0
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233996 92297500 2 NO2C7H10 AB2C7D10 -165.97 4.22 -8.88 -0.09 0
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233997 92297502 1 SN3O3C20H21 AB3C3D20E21 -60.6 3.87 -8.56 -0.9 0
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233998 92297505 1 O2N3H25C26 A2B3C25D26 10.15 4.85 -8.54 -0.56 0
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233999 92297507 1 O2N3C24H27 A2B3C24D27 -22.93 2.0 -8.41 0.11 0
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234000 92297508 1 O2N3C24H27 A2B3C24D27 -22.4 5.93 -8.52 0.05 0
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234001 92297512 1 O5C24H26 A5B24C26 -162.64 4.39 -9.01 -0.54 0
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234002 92297515 2 OSN2C10H11 ABC2D10E11 -16.87 7.7 -8.51 -1.25 0
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234003 92297517 1 NO2C16H27 AB2C16D27 -92.12 3.53 -9.07 0.28 0
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234004 92297518 1 NO2C16H27 AB2C16D27 -92.1 1.38 -8.84 0.36 0
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234005 92297521 1 SN3O3C19H27 AB3C3D19E27 -98.76 1.17 -9.15 -0.69 1
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234006 92297522 1 OSN2C20H25 ABC2D20E25 11.69 4.93 0.0 0.0 0
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234007 92297525 1 NO3C22H31 AB3C22D31 -105.68 3.09 -9.1 0.14 0
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234008 92297526 1 NO3C17H29 AB3C17D29 -141.75 1.79 -8.87 0.22 0
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234009 92297527 1 NO3C17H29 AB3C17D29 -142.69 0.47 -8.88 0.23 0
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234010 92297529 1 N2O3C19H22 A2B3C19D22 -84.58 5.06 -8.4 0.01 0
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234011 92297531 1 BrNO2S2C12H12 ABC2D2E12F12 -51.04 1.52 -9.5 -1.5 0
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234012 92297533 1 NO2C16H27 AB2C16D27 -91.22 1.55 -8.77 0.36 0
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234013 92297534 1 N2O3C13H26 A2B3C13D26 -178.6 1.89 -9.78 0.47 0
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234014 92297539 1 O2Cl3N4H11C15 A2B3C4D11E15 36.35 2.67 -8.88 -1.1 0
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234015 92297540 1 FNO6H14C19 ABC6D14E19 -190.75 4.62 -9.34 -1.92 0
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234016 92297543 1 NO6C24H25 AB6C24D25 -141.43 1.95 -8.15 -0.3 0
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234017 92297544 1 NO6C24H25 AB6C24D25 -149.73 2.95 -8.3 -0.38 0
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234018 92297545 1 ClN2O5H11C17 AB2C5D11E17 -35.95 5.16 -9.7 -1.6 0
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234019 92297546 1 NSO2H13C14 ABC2D13E14 -38.05 5.35 -9.02 -1.24 0
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234020 92297547 1 SN2O2H12C13 AB2C2D12E13 -37.86 6.71 -9.22 -0.85 0
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234021 92297550 1 O3C24H26 A3B24C26 -59.68 4.91 -8.76 -0.11 0
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234022 92297552 1 O2C29H30 A2B29C30 -14.38 3.05 -9.05 -0.27 0
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234023 92297558 1 O3N8C29H34 A3B8C29D34 54.22 11.31 -8.82 -1.19 0
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234024 92297560 1 ClON7C30H36 ABC7D30E36 50.74 9.48 -8.96 -1.08 0
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234025 92297561 1 O3N8C29H34 A3B8C29D34 57.77 12.61 -9.0 -1.33 0
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234026 92297562 2 NC8H8 AB8C8 70.39 0.96 -8.1 -0.14 0
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234027 92297563 1 NOSH13C17 ABCD13E17 62.5 2.25 -8.84 -0.59 0
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234028 92297564 2 NOH11C12 ABC11D12 19.37 5.63 -9.39 -0.61 0
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234029 92297566 1 NCl2O3F4C7H9 AB2C3D4E7F9 -359.85 6.39 -10.98 -1.02 0
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234030 92297569 1 O2N7C31H33 A2B7C31D33 76.83 8.05 -8.52 -1.11 0
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234031 92297570 1 ClO2C11H13 AB2C11D13 -81.69 0.81 -9.53 -0.06 0
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234032 92297571 1 NSO2H11C13 ABC2D11E13 -9.77 0.88 -8.95 -0.73 0
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234033 92297572 1 OSN2C11H12 ABC2D11E12 -12.45 4.09 -9.02 -0.69 0
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234034 92297574 1 FSO4N6H27C31 ABC4D6E27F31 -73.24 3.69 -8.8 -1.31 0
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234035 92297576 1 OH18C19 AB18C19 16.71 2.92 -9.3 -0.2 0
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234036 92297577 1 ClN2O2H25C31 AB2C2D25E31 34.6 2.81 -8.61 -0.67 0
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234037 92297579 1 OSCl3N5H24C25 ABC3D5E24F25 49.55 8.9 -8.68 -1.07 0
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234038 92297582 1 N2O3C9H12 A2B3C9D12 -75.01 3.18 -9.77 -0.7 0
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234039 92297586 1 SO4N6C28H30 AB4C6D28E30 -68.33 5.74 -8.74 -1.17 0
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234040 92297587 1 SO3N6C28H34 AB3C6D28E34 -60.25 3.24 -8.0 -1.47 0
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234041 92297594 1 SO4N6C28H28 AB4C6D28E28 -62.06 6.82 -8.33 -0.79 0
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234042 92297595 1 SO4N6C28H28 AB4C6D28E28 -61.59 5.04 -8.93 -1.6 0
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234043 92297602 1 SO4N6C27H32 AB4C6D27E32 -92.44 6.61 -8.33 -0.98 0