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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141438 52877867 1 ClNOSC15H18 ABCDE15F18 -7.8 1.36 -8.36 -0.68 0
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141439 52877868 2 NOC6H9 ABC6D9 -78.91 1.86 -8.57 0.1 0
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141440 52877869 2 NOC6H9 ABC6D9 -77.47 4.28 -8.73 -0.04 1
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141441 52877870 1 N3O3C26H36 A3B3C26D36 -106.41 5.39 0.0 0.0 0
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141442 52877871 1 N3O3C26H35 A3B3C26D35 -119.84 2.66 -9.04 0.31 1
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141443 52877872 1 N3O3C26H36 A3B3C26D36 -106.19 7.44 0.0 0.0 0
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141444 52877873 1 N3O3C26H35 A3B3C26D35 -121.94 4.64 -9.07 0.22 1
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141445 52877874 1 N3O3C26H36 A3B3C26D36 -110.97 7.08 0.0 0.0 0
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141446 52877875 1 N3O3C26H35 A3B3C26D35 -128.51 3.42 -8.7 0.01 1
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141447 52877876 1 ON2C14H21 AB2C14D21 -16.8 4.83 0.0 0.0 1
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141448 52878048 1 N3O3C21H34 A3B3C21D34 -91.06 2.52 0.0 0.0 0
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141449 52878479 1 ClSN4O5C20H21 ABC4D5E20F21 -160.92 5.35 -9.48 -0.86 0
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141450 52878480 1 ClS2N4O4H15C16 AB2C4D4E15F16 -115.13 4.31 -9.16 -1.11 0
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141451 52878481 1 ClS2N4O4H15C16 AB2C4D4E15F16 -113.63 2.94 -9.51 -0.87 0
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141452 52878482 1 ClSN3O5C21H24 ABC3D5E21F24 -156.84 2.86 -8.4 -0.76 0
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141453 52878483 1 ClSN3O5C21H24 ABC3D5E21F24 -156.05 4.33 -8.63 -0.75 0
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141454 52878516 1 NO4C13H21 AB4C13D21 -198.66 3.36 -9.65 0.52 0
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141455 52878536 1 ClSN3O3C14H14 ABC3D3E14F14 -91.36 2.76 -9.22 -1.14 0
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141456 52878644 1 S2N3O4C23H29 A2B3C4D23E29 -114.53 5.67 -9.11 -1.04 -1
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141457 52879222 1 ClO2S2N4C16H16 AB2C2D4E16F16 42.29 2.37 0.0 0.0 1
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141458 52879456 1 O2N4C18H29 A2B4C18D29 -48.15 4.44 0.0 0.0 0
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141459 52879457 2 ON2C9H14 AB2C9D14 -44.82 5.5 -8.89 -0.17 2
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141460 52879665 1 OCl2N4C21H30 AB2C4D21E30 81.53 17.89 -3.08 -1.39 0
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141461 52880083 1 F3N3O3H10C14 A3B3C3D10E14 -121.88 8.1 -9.79 -1.62 0
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141462 52880319 1 ClOSN5H16C18 ABCD5E16F18 107.75 5.36 -9.01 -1.02 0