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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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446651 135276665 1 ClN3O4C22H22 AB3C4D22E22 -36.68 6.16 -9.31 -1.59 0
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446652 135276666 1 ClN3O4C22H22 AB3C4D22E22 -33.92 5.85 -9.4 -1.67 0
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446653 135276667 1 ON9H23C26 AB9C23D26 188.16 12.86 -8.45 -2.16 0
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446654 135276675 1 FN5O10C22H44 AB5C10D22E44 -517.21 2.02 -9.51 0.42 0
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446655 135276677 1 F3O3N6H25C26 A3B3C6D25E26 -116.62 10.83 -8.2 -1.22 0
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446656 135276681 1 O2F3N6H19C21 A2B3C6D19E21 -74.99 11.89 -8.68 -1.09 0
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446657 135276692 2 N3O6C12H23 A3B6C12D23 -557.57 5.33 -9.34 0.66 0
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446658 135276693 1 FN5O9C21H40 AB5C9D21E40 -465.05 3.96 -9.55 0.83 0
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446659 135276698 1 OSF2C5H6 ABC2D5E6 -129.8 3.14 -8.62 -0.01 0
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446660 135276706 1 ON3C17H21 AB3C17D21 -12.87 4.17 -8.3 -0.09 0
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446661 135276739 1 N5O11C22H43 A5B11C22D43 -501.59 4.99 -9.41 0.59 0
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446662 135276746 1 SO2N4C28H34 AB2C4D28E34 -17.63 7.17 -8.52 -0.62 0
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446663 135276771 1 ClOSN4H11C17 ABCD4E11F17 86.02 5.79 -9.01 -1.39 0
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446664 135276777 1 NNaSO5C8H16 ABCD5E8F16 -229.65 5.09 -9.91 0.08 0
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446665 135276782 1 ClSO4H11C15 ABC4D11E15 -112.84 4.94 -9.41 -1.25 -1
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446666 135276783 1 SN4O4C26H31 AB4C4D26E31 -69.71 5.99 0.0 0.0 0
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446667 135276792 1 OSN4C23H28 ABC4D23E28 173.13 2.9 -5.76 -1.58 0
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446668 135276794 5 H4C5 A4B5 89.56 1.03 -8.6 -0.19 0
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446669 135276807 1 OH18C24 AB18C24 57.54 1.52 -8.53 -0.3 0
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446670 135276817 1 OCl2N2C7H8 AB2C2D7E8 -4.58 3.54 -9.96 -1.49 0
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446671 135276826 1 OSN4C28H34 ABC4D28E34 19.75 5.25 -8.46 -0.75 0
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446672 135276828 1 N6O13C24H46 A6B13C24D46 -588.58 6.2 -9.45 0.32 0
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446673 135276840 1 N8O11C24H48 A8B11C24D48 -474.34 3.49 -9.32 0.48 0
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446674 135276843 2 N2O5C9H17 A2B5C9D17 -459.54 3.98 -9.6 0.69 0
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446675 135276859 1 N4O10C17H32 A4B10C17D32 -451.4 3.83 -9.63 0.65 0
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446676 135276860 1 OSN2H8C11 ABC2D8E11 49.22 1.85 -8.59 -1.26 0
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446677 135276862 1 O3N5C22H29 A3B5C22D29 3.36 4.02 -8.93 -1.18 0
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446678 135276878 1 NOC17H23 ABC17D23 -26.0 3.53 -9.53 -0.39 0
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446679 135276880 1 OC15H18 AB15C18 -2.17 2.92 -9.46 -0.53 0
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446680 135276881 2 OC8H11 AB8C11 -68.03 3.57 -8.69 -0.6 0
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446681 135276903 2 OC8H10 AB8C10 -60.62 2.01 -9.48 -0.7 0
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446682 135276906 1 N2O2C29H54 A2B2C29D54 -135.34 3.48 -8.11 0.74 0
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446683 135276918 1 O2N5F6C26H29 A2B5C6D26E29 -332.08 3.7 -9.01 -1.26 0
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446684 135276923 1 NSO2C18H37 ABC2D18E37 -156.25 5.36 -9.41 0.5 0
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446685 135276924 1 O3N4F6C27H32 A3B4C6D27E32 -363.48 4.12 -9.08 -1.13 0
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446686 135276926 1 ON2C27H30 AB2C27D30 46.05 5.51 -8.53 -0.25 0
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446687 135276928 2 NOC13H14 ABC13D14 -2.82 7.23 -8.99 -0.61 0
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446688 135276934 1 ON2H18C21 AB2C18D21 23.05 4.53 -7.84 -0.21 0
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446689 135276939 1 FO2N4C24H27 AB2C4D24E27 -83.91 3.94 -9.28 -0.34 0
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446690 135276944 1 N9O11C27H51 A9B11C27D51 -481.71 10.26 -8.99 0.42 0
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446691 135276948 1 NC14H29 AB14C29 -56.16 1.39 -8.3 2.98 0
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446692 135276952 1 O4N6C25H38 A4B6C25D38 -156.87 6.41 -9.18 -0.39 0
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446693 135276958 1 NO3C20H39 AB3C20D39 -200.63 3.51 -8.41 0.77 0
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446694 135276964 1 N5O5C34H49 A5B5C34D49 -196.39 6.04 -9.38 0.2 0
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446695 135276976 1 OSN4C18H22 ABC4D18E22 63.16 5.25 -8.82 -0.95 0
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446696 135276984 1 F3N3O4C31H40 A3B3C4D31E40 -301.13 1.32 -8.04 0.03 0
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446697 135276990 1 FC18H29 AB18C29 -79.12 0.74 -9.23 0.34 0
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446698 135276994 1 OF2C7H14 AB2C7D14 -182.13 3.26 -10.76 2.08 0
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446699 135277003 1 BrF2N2C21H21 AB2C2D21E21 -51.89 3.14 -8.39 -0.41 0
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446700 135277012 1 BrFO2C10H10 ABC2D10E10 -108.88 2.4 -9.57 -0.56 0