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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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78627 49701083 1 S2N5O5C21H29 A2B5C5D21E29 -120.64 7.62 -8.55 -0.92 0
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78628 49701084 1 S2O4N5C20H27 A2B4C5D20E27 -88.59 4.67 -8.68 -1.06 0
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78629 49703242 1 O3N6C26H32 A3B6C26D32 -51.2 7.73 -8.93 -0.97 0
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78630 49703243 1 O3N6C24H28 A3B6C24D28 -38.29 7.75 -8.98 -0.99 0
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78631 49703254 1 N4O4H20C21 A4B4C20D21 -79.8 8.3 -9.03 -1.22 0
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78632 49703255 1 SN4O5C20H20 AB4C5D20E20 -113.11 9.3 -9.1 -1.29 0
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78633 49703257 1 O3N4C24H24 A3B4C24D24 -25.55 8.42 -8.61 -1.0 0
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78634 49703264 1 FO3N4C24H25 AB3C4D24E25 -70.72 3.12 -8.72 -0.68 0
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78635 49703268 1 N3O5C24H27 A3B5C24D27 -118.7 9.29 -8.32 -0.95 0
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78636 49703273 1 O3N4C20H20 A3B4C20D20 -29.43 6.44 -9.0 -1.0 0
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78637 49703285 2 N2O2C9H9 A2B2C9D9 -38.76 9.96 -9.23 -1.09 0
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78638 49703288 1 O3N4C20H20 A3B4C20D20 -28.58 5.84 -9.08 -1.05 0
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78639 49703292 1 O3N5H17C18 A3B5C17D18 -8.29 6.98 -8.97 -1.05 0
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78640 49703295 1 N3O3C18H23 A3B3C18D23 -81.62 8.11 -9.02 -0.97 0
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78641 49703305 1 ClO3N4C24H25 AB3C4D24E25 -35.67 1.96 -8.76 -0.88 0
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78642 49703323 1 N3O5C22H23 A3B5C22D23 -110.46 9.43 -8.1 -1.03 0
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78643 49703343 1 ClN3O3H18C20 AB3C3D18E20 -43.9 6.02 -9.0 -1.06 0
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78644 49703385 1 N4O6H20C21 A4B6C20D21 -79.26 13.66 -9.09 -1.19 0
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78645 49703389 3 NOC7H7 ABC7D7 -30.09 2.73 -8.76 -0.97 0
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78646 49703396 1 F2N3O3H17C20 A2B3C3D17E20 -125.47 7.81 -9.05 -1.21 0
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78647 49703409 1 F3N3O4H22C23 A3B3C4D22E23 -238.58 11.25 -9.18 -1.16 0
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78648 49703419 2 N2O2C11H11 A2B2C11D11 -86.47 4.4 -8.25 -1.05 0
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78649 49703421 1 SN4O6C22H22 AB4C6D22E22 -166.7 10.86 -9.23 -1.28 0
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78650 49703422 1 N5O5C25H27 A5B5C25D27 -132.52 6.99 -8.97 -1.04 0
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78651 49703423 1 N4O5C20H22 A4B5C20D22 -136.97 4.98 -8.83 -1.01 0