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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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17355 493825 1 N5O6C40H49 A5B6C40D49 -166.69 0.95 -8.6 -0.73 0
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17356 493826 1 N5O6C41H51 A5B6C41D51 -191.08 3.41 -8.85 -0.85 0
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17357 493962 2 NO2C8H8 AB2C8D8 -127.86 0.42 -9.16 -0.4 0
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17358 493963 1 Br2O2C21H28 A2B2C21D28 -107.41 8.88 -9.99 -0.93 0
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17359 494081 1 NPO3H21C26 ABC3D21E26 71.15 8.98 0.0 0.0 1
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17360 494082 2 O4C9H9 A4B9C9 -253.85 2.26 -10.28 -0.81 0
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17361 494121 1 NSC11H16 ABC11D16 14.38 3.0 0.0 0.0 1
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17362 494122 1 N3H12C13 A3B12C13 94.68 1.26 0.0 0.0 1
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17363 494189 3 N2C7H7 A2B7C7 145.76 0.09 0.0 0.0 3
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17364 494259 2 NOSC8H13 ABCD8E13 -143.55 0.28 -9.11 -0.03 0
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17365 494262 1 N5O5C11H15 A5B5C11D15 -157.05 12.08 -9.32 -0.3 0
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17366 494268 1 ClN4O4H17C19 AB4C4D17E19 -56.91 6.06 -9.06 -2.0 0
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17367 494344 1 SiO3N5C23H31 AB3C5D23E31 -104.18 4.14 -9.01 -0.82 0
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17368 494437 1 O3C14H26 A3B14C26 -196.75 3.58 -9.74 2.42 0
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17369 494438 2 O2C10H13 A2B10C13 -168.58 3.37 -9.44 0.26 0
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17370 494463 1 NO2C14H25 AB2C14D25 -112.69 4.12 -9.53 0.94 0
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17371 494516 1 NSO9C23H25 ABC9D23E25 -293.57 4.31 -8.52 -0.47 0
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17372 494536 1 NO5C21H23 AB5C21D23 -173.66 6.96 -8.53 -0.12 0
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17373 494554 1 NO4C17H25 AB4C17D25 -155.0 7.31 -8.9 -0.46 0
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17374 494650 1 NO5C10H15 AB5C10D15 -200.35 3.89 -9.9 -0.12 0
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17375 494651 1 O4N5C10H13 A4B5C10D13 -84.19 7.16 -9.88 -1.34 0
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17376 494654 1 NO13C41H55 AB13C41D55 -547.85 2.11 -9.04 -0.03 0
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17378 494712 1 O3C13H16 A3B13C16 -95.57 1.57 -9.71 -0.46 0
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17379 494718 1 N2O2H18C19 A2B2C18D19 -20.73 2.32 -8.52 -0.13 0
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17380 494740 2 OC7H11 AB7C11 -106.97 3.76 -9.55 0.93 0
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17381 494767 1 NO3C19H27 AB3C19D27 -158.65 4.2 -9.36 -0.3 0
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17382 494874 1 O4C15H24 A4B15C24 -218.12 5.53 -10.52 0.86 0
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17383 494929 1 N5O6C12H19 A5B6C12D19 -186.83 2.83 -6.44 -0.41 2
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17384 494986 1 N6O6H22C33 A6B6C22D33 59.66 2.95 -9.38 -1.35 0
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17385 495126 1 NO3C11H19 AB3C11D19 -156.82 1.7 -9.99 0.63 0
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17386 495312 2 O2H7C8 A2B7C8 -80.5 2.91 -9.01 -1.41 0
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17387 495313 2 O2C9H9 A2B9C9 -98.46 2.27 -8.83 -1.42 0
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17388 495349 1 OS4C10H18 AB4C10D18 -51.63 2.73 -8.75 0.04 0
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17389 495485 1 O5C33H52 A5B33C52 -303.61 3.36 -9.77 0.7 0
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17390 495486 1 O2S2C11H18 A2B2C11D18 -83.66 2.45 -8.36 0.45 0
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17391 495487 1 NOC17H29 ABC17D29 -84.08 4.82 -9.8 1.32 0
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17392 495523 1 O5C29H40 A5B29C40 -259.25 5.12 -9.16 -0.21 0
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17393 495595 1 O5H36C37 A5B36C37 -107.27 2.0 -8.2 -0.34 0
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17394 495609 1 NSiO8C25H33 ABC8D25E33 -321.29 9.29 -8.46 -0.42 0
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17395 495729 1 O4C13H14 A4B13C14 -132.9 4.54 -9.59 -0.75 0
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17396 495731 2 O5C13H16 A5B13C16 -420.4 5.43 -9.87 -0.3 0
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17397 495823 1 N2F3O3C21H21 A2B3C3D21E21 -255.11 6.08 -9.46 -0.75 0
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17398 495886 1 NOC17H19 ABC17D19 21.71 2.38 -9.28 -0.01 0
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17399 495888 1 NO2C14H21 AB2C14D21 -49.0 2.1 -8.75 -0.06 0
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17400 495940 1 NO2C20H29 AB2C20D29 -110.54 0.88 -8.52 0.2 0
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17401 495981 1 O9C24H28 A9B24C28 -338.18 5.61 -9.95 -0.02 0
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17402 496041 3 OC5H8 AB5C8 -115.48 0.2 -9.71 1.69 0
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17403 496058 1 O5C23H30 A5B23C30 -232.04 5.54 -9.94 -0.86 0
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17404 496141 1 O5H22C23 A5B22C23 -167.3 9.75 -9.31 -0.78 0
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17405 496145 1 N4O6C43H52 A4B6C43D52 -211.47 1.75 -7.83 -0.29 0