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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147723 53787380 1 N2F3O3H23C26 A2B3C3D23E26 -186.15 3.7 -8.67 -0.4 0
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147724 53787381 1 N4O5C24H28 A4B5C24D28 -154.38 5.42 -8.76 -0.95 0
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147725 53787382 1 BrN2O4C14H25 AB2C4D14E25 -147.08 2.76 -9.95 -1.52 0
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147726 53787383 1 ClFO2C25H34 ABC2D25E34 -158.53 2.54 -9.33 -0.2 0
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147727 53787384 1 NO4C13H25 AB4C13D25 -230.06 6.16 -10.3 0.23 0
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147728 53787385 1 O2N4C25H30 A2B4C25D30 -28.0 1.66 -8.32 -0.5 0
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147729 53787386 1 N2O3C19H28 A2B3C19D28 -56.22 3.48 -9.78 -1.65 0
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147730 53787387 2 C11H19 A11B19 -49.73 0.28 -9.33 1.3 0
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147731 53787388 1 N3O6C30H31 A3B6C30D31 -191.83 4.81 -8.85 0.07 0
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147732 53787389 1 SO2C14H22 AB2C14D22 -67.04 3.5 -8.12 -0.27 0
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147733 53787390 1 O2C25H42 A2B25C42 -70.68 8.09 -10.55 -0.73 0
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147734 53787391 1 SF2N4O4C33H34 AB2C4D4E33F34 -139.92 2.35 -8.82 -0.79 0
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147735 53787392 1 ClNOC4H8 ABCD4E8 -54.87 2.63 -9.94 -0.21 0
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147736 53787393 1 N3C8H17 A3B8C17 8.84 2.56 -9.33 0.84 0
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147737 53787395 1 N2F3O5H11C18 A2B3C5D11E18 -214.67 8.5 -9.88 -1.87 0
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147738 53787396 1 NSO2C16H19 ABC2D16E19 -73.53 4.58 -9.05 -0.52 0
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147739 53787397 2 O4C13H24 A4B13C24 -431.17 7.17 -10.14 -0.22 0
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147740 53787398 1 OSN3C19H25 ABC3D19E25 -11.48 2.4 -8.02 -0.14 0
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147741 53787399 1 ClO13C29H31 AB13C29D31 -488.89 6.26 -8.79 -0.79 0
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147742 53787400 1 SN2O2H26C27 AB2C2D26E27 4.88 4.7 -8.48 -0.49 0
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147743 53787401 1 BrClN3H15C18 ABC3D15E18 74.42 7.22 -9.17 -0.89 0
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147744 53787402 1 N3O5C18H19 A3B5C18D19 -140.57 7.29 -8.97 -1.62 0
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147745 53787403 1 NSO3C5H5 ABC3D5E5 -59.34 5.48 -10.1 -1.26 0
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147746 53787404 2 NOH8C11 ABC8D11 4.9 2.55 -8.38 -1.38 0
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147747 53787405 1 O3C24H32 A3B24C32 -70.62 4.99 -9.29 -0.44 0
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147748 53787406 1 S5O6N7H17C19 A5B6C7D17E19 -32.93 6.3 -9.25 -1.43 0
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147749 53787407 1 NOC5H11 ABC5D11 -36.3 2.22 -9.64 2.04 0
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147750 53787408 1 OSC4N4H6 ABC4D4E6 7.97 3.33 -9.16 -1.2 0
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147751 53787409 1 O3N6C20H24 A3B6C20D24 16.56 2.39 -8.89 -1.37 0
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147752 53787410 1 SN2O5C19H26 AB2C5D19E26 -222.15 3.06 -9.2 -1.27 0
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147753 53787411 1 OPC8H13 ABC8D13 -59.48 5.69 -9.9 -0.32 0
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147754 53787412 1 O2C29H38 A2B29C38 -96.71 4.02 -8.87 -0.36 0
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147755 53787413 1 N5O7C31H33 A5B7C31D33 -222.09 6.29 -9.47 -0.75 0
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147756 53787414 2 ON2C9H14 AB2C9D14 -60.49 1.58 -8.5 0.32 0
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147757 53787415 1 O5C29H32 A5B29C32 -166.24 9.32 -9.06 -0.96 0
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147758 53787416 2 N2C9H9 A2B9C9 99.02 3.59 -9.21 -0.39 1
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147759 53787417 1 NSC17H20 ABC17D20 36.97 3.87 0.0 0.0 0
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147760 53787418 1 OC11H14 AB11C14 -35.9 4.15 -9.25 -0.41 0
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147761 53787419 1 ClN9O14C63H94 AB9C14D63E94 -627.82 14.15 -9.29 -0.57 0
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147762 53787420 1 OSC7H16 ABC7D16 -79.88 3.24 -8.77 0.52 0
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147763 53787421 1 C13H18 A13B18 -2.05 0.48 -8.75 0.58 0
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147764 53787422 2 N2O2C9H13 A2B2C9D13 -157.65 6.16 -9.34 -0.82 0
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147765 53787423 2 ON2C6H9 AB2C6D9 -63.89 1.71 -8.75 -0.07 0
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147766 53787424 1 OS2N3C14H17 AB2C3D14E17 32.72 3.36 -8.65 -0.52 0
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147767 53787425 1 N2C17H26 A2B17C26 6.49 2.88 -8.4 0.59 0
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147768 53787426 1 NOSC22H27 ABCD22E27 -8.04 4.11 -9.26 -0.35 0
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147769 53787427 1 O5C29H34 A5B29C34 -153.43 5.39 -8.82 -0.47 0
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147770 53787428 2 NOC3H8 ABC3D8 -101.98 3.42 -9.31 2.08 0
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147771 53787429 1 S3O4N8H12C13 A3B4C8D12E13 24.35 4.37 -9.47 -1.44 0
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147772 53787430 1 SN3O6C25H29 AB3C6D25E29 -183.01 7.11 -8.77 -0.48 0