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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40053 8143494 1 ClSN4C14H18 ABC4D14E18 76.83 4.96 0.0 0.0 0
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40054 8143495 1 ClSN4C14H17 ABC4D14E17 59.12 2.59 -8.4 -0.62 1
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40055 8143496 1 OSN5C20H24 ABC5D20E24 82.93 5.05 0.0 0.0 0
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40056 8143497 1 OSN5C20H23 ABC5D20E23 66.19 0.79 -8.3 -0.84 0
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40057 8143498 1 ClN2O2H11C16 AB2C2D11E16 28.78 4.91 -9.08 -1.36 1
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40058 8143499 1 OSN5C23H26 ABC5D23E26 76.89 12.2 0.0 0.0 0
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40059 8143500 1 OSN5C23H25 ABC5D23E25 58.52 2.61 -8.45 -1.07 1
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40060 8143501 1 N2O2C23H25 A2B2C23D25 -31.19 11.11 0.0 0.0 0
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40061 8143504 1 O2S2N4C13H18 A2B2C4D13E18 -34.41 2.16 -8.41 -0.98 1
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40062 8143507 1 O2N3C11H20 A2B3C11D20 -75.82 2.91 0.0 0.0 0
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40063 8143508 1 O2N3C11H19 A2B3C11D19 -98.43 2.17 -9.25 0.23 1
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40064 8143509 1 FCl2O2N3H15C19 AB2C2D3E15F19 -15.75 13.13 0.0 0.0 1
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40065 8143513 1 O2N3C18H24 A2B3C18D24 -50.77 1.9 0.0 0.0 0
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40066 8143514 1 O2N3C18H23 A2B3C18D23 -73.55 2.76 -9.15 0.01 1
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40067 8143515 1 FCl2O2N3H15C19 AB2C2D3E15F19 -27.82 7.23 0.0 0.0 1
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40068 8143517 1 O2N3C18H24 A2B3C18D24 -51.33 3.9 0.0 0.0 1
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40069 8143520 1 N2O2C13H15 A2B2C13D15 -27.26 8.15 0.0 0.0 1
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40070 8143522 1 SN5C12H16 AB5C12D16 123.6 11.23 0.0 0.0 0
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40071 8143523 1 SN5C12H15 AB5C12D15 107.51 2.29 -8.74 -0.74 0
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40072 8143524 1 ON2C22H22 AB2C22D22 69.75 3.42 -8.75 -0.71 0
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40073 8143526 1 NO3C12H15 AB3C12D15 -90.19 1.49 -8.37 -0.05 0
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40074 8143528 1 N2O2C13H14 A2B2C13D14 -45.82 1.37 -9.08 -1.23 0
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40075 8143529 1 ON2C22H22 AB2C22D22 71.23 3.37 -8.82 -0.61 1
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40076 8143530 1 SO3N4C19H21 AB3C4D19E21 24.34 5.28 0.0 0.0 0
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40077 8143531 1 SO3N4C19H20 AB3C4D19E20 29.82 3.0 -8.72 -1.61 1
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40078 8143532 1 S2N4C15H21 A2B4C15D21 73.11 15.03 0.0 0.0 0
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40079 8143534 1 ON2C22H22 AB2C22D22 71.23 3.39 -8.8 -0.62 1
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40080 8143535 1 S2N4C14H19 A2B4C14D19 98.52 9.66 0.0 0.0 1
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40081 8143537 1 S2N4C15H21 A2B4C15D21 88.89 10.39 0.0 0.0 1
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40082 8143539 1 FSN4C19H20 ABC4D19E20 73.18 5.88 0.0 0.0 0
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40083 8143540 1 FSN4C19H19 ABC4D19E19 55.51 3.93 -8.36 -0.68 1
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40084 8143541 1 SF2N4C19H19 AB2C4D19E19 35.06 10.21 0.0 0.0 0
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40085 8143542 1 SF2N4H18C19 AB2C4D18E19 11.09 4.31 -8.32 -0.8 1
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40086 8143543 1 S2N4C14H19 A2B4C14D19 97.17 10.21 0.0 0.0 0
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40087 8143545 1 N3O4C18H25 A3B4C18D25 -125.99 6.19 -8.41 -0.15 1
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40088 8143546 1 S2N4C16H23 A2B4C16D23 87.58 10.3 0.0 0.0 0
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40089 8143547 2 SN2C8H11 AB2C8D11 65.97 5.46 -8.23 -0.82 1
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40090 8143548 1 OS2N4C19H21 AB2C4D19E21 102.1 11.74 0.0 0.0 0
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40091 8143549 1 OS2N4C19H20 AB2C4D19E20 77.45 3.26 -8.28 -0.96 1
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40092 8143550 1 O2N3H22C25 A2B3C22D25 59.47 7.57 0.0 0.0 1
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40093 8143552 1 ClSN5C18H19 ABC5D18E19 128.88 12.99 0.0 0.0 0
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40094 8143553 1 ClSN5C18H18 ABC5D18E18 104.83 3.79 -8.51 -1.02 1
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40095 8143554 1 O2N3H22C25 A2B3C22D25 57.96 10.38 0.0 0.0 0
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40096 8143555 1 O2N3H21C25 A2B3C21D25 42.53 8.95 -9.14 -1.06 0
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40097 8143557 1 ClOSN4C18H23 ABCD4E18F23 14.4 1.28 -8.23 -0.73 1
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40098 8143558 1 ClOSN4C18H24 ABCD4E18F24 41.26 3.73 0.0 0.0 0
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40099 8143561 1 SN3O3C15H19 AB3C3D15E19 -40.28 6.89 -8.48 -0.82 0
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40100 8143563 1 SN3O4C16H21 AB3C4D16E21 -74.09 5.76 -8.31 -0.86 0
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40101 8143564 1 SN2H12C16 AB2C12D16 93.44 5.89 -8.47 -0.57 1
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40102 8143565 1 OS2N4C14H19 AB2C4D14E19 68.55 10.64 0.0 0.0 0