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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410919 135083720 1 ON2Cl3H3C10 AB2C3D3E10 46.18 2.35 -9.52 -2.01 0
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410920 135083721 1 O3C8H10 A3B8C10 -62.55 4.38 -10.32 -0.22 0
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410921 135083722 1 LiOC12H15 ABC12D15 -42.19 5.62 -8.78 0.7 0
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410922 135083723 1 NOC14H19 ABC14D19 13.25 3.65 -9.11 -0.41 0
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410923 135083724 1 SiO3C9H18 AB3C9D18 -191.25 2.28 -9.65 0.6 0
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410924 135083725 1 ON2H14C16 AB2C14D16 45.08 3.08 -8.15 -0.46 0
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410925 135083726 1 NS2C10H15 AB2C10D15 8.7 2.87 -8.59 0.18 0
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410926 135083727 1 OSC12H12 ABC12D12 28.37 3.9 -9.05 -0.62 0
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410927 135083728 1 N2O3C11H18 A2B3C11D18 -156.21 2.56 -9.41 -0.39 0
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410928 135083729 1 NOSC11H15 ABCD11E15 3.6 5.83 -8.13 -0.29 0
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410929 135083730 1 ClNC13H14 ABC13D14 25.78 4.96 -8.17 -0.18 0
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410930 135083731 2 OC5H8 AB5C8 -89.75 2.64 -8.94 0.96 0
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410931 135083732 1 BKF3C9H9 ABC3D9E9 -305.05 8.64 -8.42 0.22 -1
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410932 135083733 1 BF3C9H9 AB3C9D9 -199.45 1.13 0.0 0.0 0
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410933 135083734 1 NSO2C10H15 ABC2D10E15 -45.98 2.86 -8.24 -0.34 0
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410934 135083735 1 ClNOC14H18 ABCD14E18 -50.34 3.86 -8.79 -0.31 0
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410935 135083736 2 OC4H8 AB4C8 -120.32 4.28 -10.26 0.42 0
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410936 135083737 1 ClN2C13H17 AB2C13D17 38.09 4.86 -8.34 -0.02 0
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410937 135083740 1 O2C9H14 A2B9C14 -86.88 3.33 -9.61 0.6 0
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410938 135083741 1 OSiC14H20 ABC14D20 -75.22 1.52 -8.36 0.3 0
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410939 135083742 1 O2N3H9C10 A2B3C9D10 46.32 5.75 -10.02 -1.6 0
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410940 135083743 1 O3C14H16 A3B14C16 -95.42 1.16 -9.63 -1.14 0
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410941 135083744 2 NOC6H7 ABC6D7 -31.94 5.38 -8.85 -1.02 1
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410942 135083745 1 N2O2C12H15 A2B2C12D15 -37.1 3.1 0.0 0.0 0
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410943 135083746 1 ClNZnO2C11H14 ABCD2E11F14 46.7 11.14 -5.85 -4.44 0
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410944 135083747 1 NOSC13H19 ABCD13E19 -25.12 3.21 -8.11 -0.01 0
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410945 135083749 1 ClNOC12H16 ABCD12E16 -39.17 4.86 -9.39 -0.21 0
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410946 135083750 1 NSO2C10H13 ABC2D10E13 -49.77 3.78 -9.93 -0.5 0
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410947 135083751 1 OSi2C14H30 AB2C14D30 -125.83 2.29 -8.82 0.6 0
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410948 135083752 1 BrNaOC6H8 ABCD6E8 -56.05 6.81 -8.18 0.39 0
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410949 135083753 1 ClINOC13H17 ABCDE13F17 -38.03 4.24 -9.5 -1.24 0
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410950 135083754 1 NOSC11H21 ABCD11E21 -54.56 2.42 -8.19 0.55 0
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410951 135083755 1 BrClSC2N2H8 ABCD2E2F8 -48.36 2.58 -8.63 -0.22 0
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410952 135083756 1 LiNO2C9H10 ABC2D9E10 -86.49 9.42 -7.79 0.38 0
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410953 135083757 1 NOH11C12 ABC11D12 0.37 7.65 -9.88 -0.74 0
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410954 135083758 1 OC13H18 AB13C18 -26.73 3.35 -9.81 0.7 0
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410955 135083759 1 BKF3C8H11 ABC3D8E11 -316.82 11.27 -8.76 0.21 -1
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410956 135083760 1 BF3C8H11 AB3C8D11 -218.87 10.6 0.0 0.0 0
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410957 135083761 1 BrNOH10C14 ABCD10E14 41.97 0.96 -9.9 -1.38 0
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410958 135083762 1 NO3C10H15 AB3C10D15 -123.19 1.93 -9.68 -0.44 0
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410959 135083763 2 NOC4H7 ABC4D7 -58.38 0.94 -9.57 -0.54 1
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410960 135083764 1 N2O2C8H15 A2B2C8D15 -46.85 2.9 0.0 0.0 0
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410961 135083765 1 SN2O4C7H12 AB2C4D7E12 -127.79 5.83 -9.95 -0.83 1
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410962 135083766 1 SN2O4C7H13 AB2C4D7E13 -115.63 7.0 0.0 0.0 0
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410963 135083767 2 OC5H7 AB5C7 -61.49 3.43 -9.88 -0.44 0
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410964 135083768 2 NOC6H6 ABC6D6 -9.11 3.58 -9.07 -0.61 0
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410965 135083769 2 OC7H7 AB7C7 -13.53 1.44 -9.49 -0.09 0
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410966 135083770 2 OC8H11 AB8C11 -56.34 3.21 -9.0 -0.07 0
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410967 135083771 1 FeOPC14H20 ABCD14E20 1.09 3.79 0.0 0.0 0
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410968 135083772 1 NO3C12H19 AB3C12D19 -142.42 2.0 -10.49 -0.45 0