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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159318 57269562 1 N4O5H18C21 A4B5C18D21 -127.81 11.58 -8.93 -1.67 0
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159319 57269563 2 NOC12H19 ABC12D19 -58.88 3.04 -8.68 -0.03 0
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159320 57269564 1 NO4C22H43 AB4C22D43 -268.1 2.36 -9.72 0.54 1
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159321 57269565 1 O3N4C9H19 A3B4C9D19 -22.21 3.36 0.0 0.0 0
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159322 57269566 1 SN2O5C19H22 AB2C5D19E22 -190.17 6.7 -8.9 -1.21 0
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159323 57269567 1 BrO3C20H25 AB3C20D25 -127.33 4.97 -9.29 -1.26 0
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159324 57269568 1 N2O7C32H42 A2B7C32D42 -299.81 2.42 -9.24 -0.51 0
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159325 57269569 1 FC13H15 AB13C15 -32.09 2.34 -9.07 -0.03 0
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159326 57269572 1 NSO4C27H33 ABC4D27E33 -136.36 1.45 -8.8 -0.04 0
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159327 57269573 1 NSCl2O6C21H23 ABC2D6E21F23 -224.56 3.97 -9.32 -0.86 0
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159328 57269574 1 SO3H14C16 AB3C14D16 -73.77 2.8 -9.41 -0.98 0
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159329 57269577 1 O3C9H16 A3B9C16 -151.79 2.77 -10.15 -0.07 0
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159330 57269578 1 N3O3H23C28 A3B3C23D28 -36.78 8.01 -8.39 -1.21 1
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159331 57269579 1 SO2N5H20C23 AB2C5D20E23 65.94 2.92 0.0 0.0 0
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159332 57269580 1 NSSi4O5C52H101 ABC4D5E52F101 -505.07 3.79 -8.54 -0.35 0
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159333 57269582 1 NO3F6H13C16 AB3C6D13E16 -391.9 5.17 -9.45 -0.98 0
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159334 57269583 1 BF2O4H16C24 AB2C4D16E24 -150.67 0.45 0.0 0.0 0
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159335 57269584 1 FO3C12H13 AB3C12D13 -155.46 4.16 -9.62 -0.24 1
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159336 57269586 1 NO4C11H20 AB4C11D20 -179.93 2.68 0.0 0.0 0
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159337 57269587 1 ON5C22H25 AB5C22D25 28.83 4.39 -8.43 -0.85 0
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159338 57269588 1 INO2H16C22 ABC2D16E22 30.77 1.73 -8.85 -1.34 0
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159339 57269595 1 O2N5C23H33 A2B5C23D33 -25.17 1.33 -8.04 0.11 0
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159340 57269598 1 PO3C8H17 AB3C8D17 -199.14 2.25 -9.75 0.89 0
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159341 57269613 1 NO6H11C16 AB6C11D16 -179.6 5.42 -8.73 -0.7 0
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159342 57269621 1 NOSC10H21 ABCD10E21 -76.7 4.78 -8.76 0.21 0