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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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388721 134989992 1 BrS2N3C8H8 AB2C3D8E8 24.69 6.2 -8.72 -1.36 0
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388722 134989993 1 NS2Cl3H4O5C7 AB2C3D4E5F7 18.07 9.27 -9.55 -3.84 0
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388723 134989994 1 N3S3O4C5H11 A3B3C4D5E11 -155.79 9.52 -8.46 -0.8 0
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388724 134989995 2 NOC5H5 ABC5D5 75.52 5.24 -9.8 -0.81 0
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388725 134989996 1 O2N5C8H9 A2B5C8D9 39.35 8.54 -9.37 -1.77 0
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388726 134989997 1 PSiN2O4C9H15 ABC2D4E9F15 -252.99 2.62 -9.74 -1.49 0
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388727 134989998 1 NaC2P3H4 AB2C3D4 -21.39 7.47 -6.38 0.43 0
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388728 134989999 1 ClNOSeC14H20 ABCDE14F20 -35.88 9.13 -8.83 -2.02 0
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388729 134990000 1 O2N3H5F6C7 A2B3C5D6E7 -317.73 3.17 -11.36 -1.58 0
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388730 134990013 1 O2C15H16 A2B15C16 -60.09 4.15 -9.09 -0.84 1
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388731 134990014 1 N3O3C4H6 A3B3C4D6 -27.96 8.51 0.0 0.0 0
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388732 134990015 1 N5H7C10 A5B7C10 107.78 4.09 -9.15 -1.34 0
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388733 134990028 1 BrS2N3C8H14 AB2C3D8E14 18.42 7.84 -8.14 -1.08 0
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388734 134990040 1 NCl2H9C11 AB2C9D11 23.94 5.38 -8.97 -1.09 0
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388735 134990041 1 ClON4H5C7 ABC4D5E7 56.87 4.04 -9.58 -1.74 0
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388736 134990042 1 ClN4H7C8 AB4C7D8 79.26 5.28 -9.9 -1.71 0
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388737 134990046 1 SN3H9C10 AB3C9D10 89.33 6.02 -8.72 -1.09 0
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388738 134990055 1 ClN2Se2H9C12 AB2C2D9E12 83.89 12.2 -8.4 -2.46 0
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388739 134990056 1 ClNSSeH4C6 ABCDE4F6 78.94 3.18 -8.77 -2.29 0
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388740 134990059 1 BF2O3C13H15 AB2C3D13E15 -346.44 8.17 -9.41 -1.13 0
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388741 134990060 1 ClNO3H10C13 ABC3D10E13 -58.28 2.19 -9.57 -1.54 1
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388742 134990062 1 ON2C9H15 AB2C9D15 -4.07 2.45 0.0 0.0 0
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388743 134990064 1 SF2O2H8C12 AB2C2D8E12 -118.13 5.12 -8.88 -1.72 0
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388744 134990067 1 BrSF2O2H3C9 ABC2D2E3F9 -110.92 2.88 -9.72 -1.52 0
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388745 134990068 1 OSH12C13 ABC12D13 18.39 5.91 -8.78 -1.27 0
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388746 134990071 2 BrN2H3C4 AB2C3D4 75.93 3.51 -9.76 -1.83 0
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388747 134990072 1 ClN2C9H13 AB2C9D13 3.99 2.33 -9.43 -0.58 0
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388748 134990075 1 PN2C10H13 AB2C10D13 35.13 3.43 -8.24 -0.69 -1
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388749 134990077 1 P2C7H11 A2B7C11 25.97 3.67 0.0 0.0 0
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388750 134990091 1 ON4C13H16 AB4C13D16 32.81 4.46 -9.4 -0.55 0
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388751 134990092 1 ON4C13H16 AB4C13D16 27.44 3.23 -9.26 -0.5 0
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388752 134990096 1 BrO2C11H15 AB2C11D15 -85.45 4.98 -10.18 -0.45 0
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388753 134990099 1 PSC9H11 ABC9D11 26.01 5.77 -8.59 -0.58 0
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388754 134990105 1 ON2S3H4C5 AB2C3D4E5 39.83 1.33 -9.27 -2.28 0
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388755 134990107 1 N3O3C5H9 A3B3C5D9 -105.41 6.99 -8.01 0.43 1
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388757 134990117 1 S2H3N3C5 A2B3C3D5 101.94 2.45 -9.85 -1.91 0
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388758 134990118 1 AlClPS2Br3C7H7 ABCD2E3F7G7 -130.57 13.57 0.0 0.0 0
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388761 134990132 1 N7O32C93H105 A7B32C93D105 -1046.15 11.3 -9.2 -0.35 0
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388762 134990133 1 NO3C18H31 AB3C18D31 -142.18 3.08 -9.44 -0.04 0
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388763 134990137 1 SN3O5C25H25 AB3C5D25E25 -160.68 12.46 -8.22 -0.31 1
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388764 134990138 1 O2N3C18H18 A2B3C18D18 -47.3 4.66 0.0 0.0 0
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388767 134990145 1 SSiN3O5C19H27 ABC3D5E19F27 -233.84 5.43 -9.38 -0.42 0
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388770 134990154 1 SCl3N4O11H43C45 AB3C4D11E43F45 -355.97 2.78 -9.06 -0.7 0
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388772 134990160 2 NOC8H11 ABC8D11 6.51 5.97 -10.66 -1.51 0
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388773 134990167 1 N2S2O7C22H22 A2B2C7D22E22 -216.53 7.02 -9.35 -0.84 0
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388776 134990170 1 SN3O8H23C24 AB3C8D23E24 -196.67 5.43 -9.59 -1.4 0
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388778 134990173 1 NO2C18H23 AB2C18D23 -71.41 3.91 -9.48 -0.01 0
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388779 134990175 1 O6C29H44 A6B29C44 -258.38 3.62 -9.5 0.7 0
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388780 134990179 1 O5C27H40 A5B27C40 -220.07 6.23 -9.5 0.7 0
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388781 134990188 1 SF2N3O3C21H21 AB2C3D3E21F21 -130.69 9.04 -9.9 -0.62 0