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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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151539 53837772 1 SN4O4C14H16 AB4C4D14E16 -73.54 1.33 -8.86 -0.78 0
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151540 53837773 1 NO2C22H27 AB2C22D27 -47.08 2.23 -9.12 0.13 0
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151541 53837774 1 PN2O4C13H19 AB2C4D13E19 -220.84 3.13 -9.64 0.11 0
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151542 53837775 1 NO2H9C10 AB2C9D10 -22.57 3.71 -10.13 -1.38 0
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151543 53837776 1 NOF2H17C27 ABC2D17E27 -6.98 9.67 -8.19 -1.18 0
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151544 53837777 1 ClSN3O4C21H26 ABC3D4E21F26 -132.57 6.75 -8.6 -0.55 0
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151545 53837778 1 N2O4H8C11 A2B4C8D11 -93.04 8.97 -10.22 -1.89 0
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151546 53837779 1 NOC9H17 ABC9D17 -49.62 2.33 -8.96 0.41 0
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151547 53837780 1 N2O4C25H30 A2B4C25D30 -89.31 4.94 -8.95 -0.38 0
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151548 53837781 1 N2O11C39H48 A2B11C39D48 -421.34 4.77 -8.98 -1.33 0
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151549 53837782 1 NSO5C13H15 ABC5D13E15 -158.23 1.19 -9.2 -1.14 0
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151550 53837783 1 NSO5C13H15 ABC5D13E15 -158.38 1.01 -9.24 -1.17 0
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151551 53837784 1 NSO5C13H15 ABC5D13E15 -164.09 4.27 -9.11 -1.14 0
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151552 53837785 1 NSO5C13H15 ABC5D13E15 -162.97 5.18 -9.35 -1.31 0
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151553 53837786 1 NSO5C13H15 ABC5D13E15 -161.47 5.73 -9.04 -1.12 0
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151554 53837787 1 O4C9H18 A4B9C18 -202.87 3.88 -10.16 1.28 0
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151555 53837788 2 ClO3C18H21 AB3C18D21 -218.25 5.47 -8.6 -1.08 0
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151556 53837789 1 N4O4C37H44 A4B4C37D44 -122.93 5.43 -8.78 -0.49 0
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151557 53837790 1 NO2C5H13 AB2C5D13 -104.92 1.56 -9.18 1.88 0
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151558 53837791 1 NCl3O5H16C21 AB3C5D16E21 -93.99 5.72 -9.78 -1.38 0
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151559 53837792 1 OC17H22 AB17C22 -38.38 3.4 -9.45 0.18 0
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151560 53837793 1 ON3C21H21 AB3C21D21 21.6 1.78 -8.47 -0.16 0
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151561 53837794 1 N5O6C26H35 A5B6C26D35 -184.67 7.58 -8.52 -0.92 0
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151562 53837795 1 ClC5H7 AB5C7 12.96 2.09 -9.62 -0.23 0
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151563 53837796 1 FN2O6H23C26 AB2C6D23E26 -228.0 4.86 -9.71 -1.34 0
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151564 53837797 1 BrNS2O6C23H30 ABC2D6E23F30 -233.85 3.06 -8.94 -0.84 0
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151565 53837798 1 SN4C20H20 AB4C20D20 194.0 1.86 -8.54 -1.98 0
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151566 53837799 1 NO2H17C19 AB2C17D19 -16.08 2.75 -8.45 -0.89 0
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151567 53837800 1 SO2N3C23H29 AB2C3D23E29 -39.37 1.4 -9.14 -0.18 0
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151568 53837801 1 NOC7H17 ABC7D17 -69.12 3.44 -8.9 2.46 0
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151569 53837802 1 ClO3N5C11H14 AB3C5D11E14 -89.91 3.52 -9.02 -0.74 0
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151570 53837803 1 ClN2O3C14H17 AB2C3D14E17 -99.15 4.31 -9.29 0.14 0
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151571 53837804 1 ClN2O2C20H25 AB2C2D20E25 -75.51 3.43 -9.48 -0.11 0
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151572 53837805 1 O2N4C9H12 A2B4C9D12 -19.72 4.06 -9.44 -0.99 0
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151573 53837806 2 O2C5H8 A2B5C8 -137.41 4.58 -9.83 -0.28 1
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151574 53837808 1 ON4C26H35 AB4C26D35 59.34 4.64 0.0 0.0 0
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151575 53837809 1 ClNOF2H20C21 ABCD2E20F21 -98.11 3.47 -8.17 -0.37 0
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151576 53837810 1 NO4C22H23 AB4C22D23 -100.74 1.89 -8.65 -0.82 0
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151577 53837811 1 O3N4C30H40 A3B4C30D40 -55.15 5.68 -8.6 -0.99 0
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151578 53837812 1 Cl2O3C18H18 A2B3C18D18 -112.49 2.48 -9.07 -0.62 0
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151579 53837813 14 CH2 AB2 -47.24 0.05 -9.44 1.5 0
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151580 53837814 1 SN2O2C14H22 AB2C2D14E22 -72.9 3.06 -8.86 -0.36 0
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151581 53837815 1 N2O3H12C15 A2B3C12D15 4.94 5.26 -8.96 -0.57 0
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151582 53837816 2 NOC5H7 ABC5D7 -50.11 2.06 -8.68 0.11 0
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151583 53837819 1 OSN2C3H4 ABC2D3E4 63.16 2.58 -9.23 -0.68 0
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151584 53837820 4 NC6H9 AB6C9 125.23 3.6 -8.54 0.46 0
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151585 55161541 1 NO3C15H25 AB3C15D25 -186.02 9.26 -9.88 0.74 0
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151586 55161547 2 FNC7H10 ABC7D10 -78.78 3.14 -8.02 0.02 0
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151587 55161548 1 N2C17H28 A2B17C28 -12.78 2.23 -7.77 0.72 0
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151588 55161552 1 N2C15H30 A2B15C30 -41.01 1.42 -8.16 3.04 0