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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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556 2985 1 O2C17H24 A2B17C24 6.1 3.74 -10.1 -0.08 0
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557 2991 1 O5C24H32 A5B24C32 -222.04 9.18 -9.72 -0.29 0
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558 2992 1 O4C11H16 A4B11C16 -91.91 1.33 -10.22 0.45 0
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559 2994 1 N4O5C19H28 A4B5C19D28 -225.48 5.78 -9.66 -0.02 0
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560 2995 2 NC9H11 AB9C11 43.41 1.56 -8.29 0.35 0
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561 2996 1 O19C47H74 A19B47C74 -909.27 4.36 -9.85 -0.69 0
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562 2997 1 ClON2H11C15 ABC2D11E15 21.11 3.27 -9.36 -0.97 0
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563 2998 1 NO3C17H27 AB3C17D27 -145.93 2.33 -8.58 0.12 0
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564 3001 1 O4C23H32 A4B23C32 -205.18 6.17 -9.79 -0.01 0
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565 3003 1 FO5C22H29 AB5C22D29 -266.11 9.07 -9.64 -0.31 0
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566 3004 1 FSO9C29H33 ABC9D29E33 -400.58 4.48 -9.91 -1.59 0
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567 3005 1 FO6C38H59 AB6C38D59 -367.71 8.87 -9.79 -0.42 0
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568 3006 1 FPO8C22H28 ABC8D22E28 -426.5 10.38 -9.73 -1.46 -2
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569 3007 1 NC9H13 AB9C13 8.87 1.62 -9.19 0.35 0
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570 3009 2 FNOC3H6 ABCD3E6 -196.61 3.74 -9.75 0.2 0
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571 3011 2 OC10H17 AB10C17 -113.27 5.49 -9.52 0.69 0
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572 3012 1 FOSN3H26C27 ABCD3E26F27 -1.31 3.34 -8.77 -1.08 0
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573 3013 1 OSF2N3H25C28 ABC2D3E25F28 -40.93 3.73 -9.09 -0.95 0
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574 3018 2 NO3C9H11 AB3C9D11 -188.85 3.5 -9.63 -1.65 0
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575 3019 1 ClSN2O2H7C8 ABC2D2E7F8 -50.28 8.91 -9.43 -0.98 0
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576 3020 14 OH3C4 AB3C4 -388.85 5.3 -8.51 -0.41 0
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577 3021 1 N5O8C18H37 A5B8C18D37 -374.11 1.28 -9.52 0.66 0
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578 3023 1 SH8C12 AB8C12 51.28 1.2 -8.49 -0.61 0
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579 3028 1 PN5O9C17H24 AB5C9D17E24 -418.52 3.31 -10.1 -0.95 0
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580 3030 1 Cl2O3H6C8 A2B3C6D8 -113.57 5.23 -9.9 -1.41 0
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581 3031 1 NCl2H3C7 AB2C3D7 40.11 5.07 -10.15 -1.28 0
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582 3032 1 NCl2O2H10C14 AB2C2D10E14 -34.0 6.95 0.0 0.0 -1
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583 3033 1 NCl2O2H11C14 AB2C2D11E14 -58.33 6.3 -9.13 -0.84 0
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584 3034 1 OCl3N6H13C14 AB3C6D13E14 8.41 6.23 -8.68 -1.0 0
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585 3035 2 Cl2H4C7 A2B4C7 27.96 0.26 -9.6 -0.54 0
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586 3037 1 Cl2O2H10C13 A2B2C10D13 -68.09 3.85 -8.91 -0.56 0
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587 3039 1 PCl2C4O4H7 AB2C4D4E7 -229.39 3.11 -9.49 -0.24 0
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588 3040 1 SCl2N3O5H16C19 AB2C3D5E16F19 -117.84 7.16 0.0 0.0 -1
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589 3041 1 SCl2N3O5H17C19 AB2C3D5E17F19 -129.68 3.17 -9.65 -0.93 0
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590 3042 1 NO2C19H35 AB2C19D35 -143.48 2.43 -8.61 0.99 0
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591 3043 1 O3N4C10H12 A3B4C10D12 -65.36 12.56 -9.12 -0.3 0
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592 3045 1 NO4C7H7 AB4C7D7 -109.82 4.39 -9.29 -0.9 0
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593 3047 2 NS2O3H5C8 AB2C3D5E8 -105.88 2.51 -9.21 -1.71 0
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594 3049 2 OC9H9 AB9C9 -31.95 0.34 -8.79 0.16 0
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595 3050 1 PO3C12H19 AB3C12D19 -191.54 5.17 -9.09 0.24 0
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596 3051 1 O5C6H10 A5B6C10 -218.11 1.22 -11.76 -0.88 0
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597 3052 1 ON3C10H21 AB3C10D21 -59.03 3.98 -8.54 1.05 0
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598 3053 1 N3O10C14H23 A3B10C14D23 -439.69 2.32 -9.76 -0.44 0
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599 3056 1 F2O7C26H32 A2B7C26D32 -401.81 12.34 -9.68 -0.34 0
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600 3057 1 F2O5C27H36 A2B5C27D36 -336.27 9.54 -9.92 -0.6 0
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601 3059 1 F2O3H8C13 A2B3C8D13 -176.39 6.23 -9.74 -1.07 0
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602 3061 1 O13C41H64 A13B41C64 -644.1 3.33 -9.85 -0.46 0
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603 3063 1 NO3C18H23 AB3C18D23 -96.21 2.91 -8.24 0.19 0
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604 3064 1 NO5C29H39 AB5C29D39 -208.28 2.07 -9.46 0.16 0
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605 3065 1 N5O5C35H41 A5B5C35D41 -171.91 7.05 -8.36 -0.12 0