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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81218 49854475 1 ON2C18H20 AB2C18D20 -1.89 3.27 -8.03 -0.09 0
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81219 49854476 1 ON2C20H24 AB2C20D24 -10.59 2.32 -7.92 -0.08 0
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81220 49854477 1 O2N3C19H21 A2B3C19D21 -46.75 7.88 -8.26 -0.25 0
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81221 49854478 1 N2O2H16C17 A2B2C16D17 -48.63 1.79 -8.69 -0.05 0
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81222 49854479 1 SN2O3C16H16 AB2C3D16E16 -81.92 4.45 -8.74 -0.08 0
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81223 49854480 1 O2N3C20H23 A2B3C20D23 -65.52 3.4 -8.52 0.0 0
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81224 49854481 1 ClSN3O4C24H24 ABC3D4E24F24 -86.27 9.14 -8.3 -1.25 0
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81225 49854482 1 SN3O4H27C28 AB3C4D27E28 -58.78 9.73 -8.13 -1.32 0
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81226 49854483 1 FSN3O5C25H26 ABC3D5E25F26 -165.03 4.51 -7.99 -1.18 0
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81227 49854484 1 ClSO4N5C24H26 ABC4D5E24F26 -101.43 7.36 -9.0 -1.58 0
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81228 49854485 1 SN4O5C24H26 AB4C5D24E26 -144.54 9.05 -8.83 -1.71 0
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81229 49854486 1 SN4O5H24C27 AB4C5D24E27 -90.16 11.52 -8.91 -1.69 0
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81230 49854487 1 SN4O6C26H28 AB4C6D26E28 -179.73 9.98 -8.84 -1.71 0
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81231 49854488 1 SN4O5C28H32 AB4C5D28E32 -151.98 9.54 -8.84 -1.69 0
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81232 49854489 1 N3O5C37H47 A3B5C37D47 -167.0 4.48 -8.42 -0.28 0
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81233 49854490 1 N4O4C35H44 A4B4C35D44 -122.12 4.86 -8.51 -0.26 0
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81234 49854491 1 N4O4C37H48 A4B4C37D48 -128.68 4.6 -8.36 -0.16 0
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81235 49854492 1 N4O4H32C33 A4B4C32D33 -56.52 4.86 -8.38 -0.27 0
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81236 49854493 1 ON9C23H25 AB9C23D25 77.88 5.61 -8.42 -0.39 0
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81237 49854494 1 O2N9C23H25 A2B9C23D25 46.43 3.57 -8.33 -0.38 0
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81238 49854495 1 ON9C23H25 AB9C23D25 82.12 1.92 -8.38 -0.31 0
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81239 49854496 1 ON9C23H23 AB9C23D23 113.64 4.51 -8.51 -0.42 0
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81240 49854497 1 ON9C22H23 AB9C22D23 85.45 5.55 -8.5 -0.51 0
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81241 49854498 1 ClON9C22H22 ABC9D22E22 75.47 4.4 -8.41 -0.66 0
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81242 49854499 2 OF2N2C10H11 AB2C2D10E11 -237.55 2.25 -9.07 -0.43 0