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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3645 9908 1 O3H16C18 A3B16C18 -68.24 4.69 -9.18 -0.83 0
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3646 9909 1 O5H10C14 A5B10C14 -159.17 6.35 -9.13 -1.19 0
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3647 9910 1 ClN3O3C18H24 AB3C3D18E24 -58.15 6.71 -9.28 -1.42 0
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3648 9911 1 N3O3C18H23 A3B3C18D23 -16.64 8.22 -9.1 -1.24 0
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3649 9912 1 N6O6C19H26 A6B6C19D26 -200.62 0.83 -9.03 -1.05 0
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3650 9913 1 O4N5C13H21 A4B5C13D21 -145.49 3.4 -9.17 -0.68 0
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3651 9915 1 FOC19H31 ABC19D31 -157.07 2.73 -10.19 2.78 0
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3652 9916 1 OCl2N3H15C16 AB2C3D15E16 61.04 4.23 -9.34 -1.78 0
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3653 9917 1 ClNC19H20 ABC19D20 36.07 2.96 -8.7 -0.23 0
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3654 9931 1 NOC21H23 ABC21D23 26.87 2.11 -8.25 -0.47 0
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3655 9934 1 NSO2C4H7 ABC2D4E7 -77.22 3.08 -9.1 -0.14 0
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3656 9938 10 CH AB 27.37 0.99 -8.69 0.08 0
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3657 9942 1 ON2C18H24 AB2C18D24 -13.11 3.85 -8.69 -0.03 0
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3658 9945 1 FNOH12C14 ABCD12E14 -43.82 2.21 -8.83 -0.32 0
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3659 9952 1 FNO2C18H28 ABC2D18E28 -146.29 1.94 -8.68 -0.86 0
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3660 9953 1 SN2O3C16H22 AB2C3D16E22 -134.45 6.9 -9.59 -0.39 0
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3661 9954 1 O2N3C13H15 A2B3C13D15 -41.66 4.81 -8.65 -0.23 0
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3662 9955 5 CHN ABC 78.05 4.54 -8.91 -0.8 0
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3663 9957 1 FNC7H8 ABC7D8 -35.63 2.39 -8.51 0.18 0
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3664 9958 1 O2C7H8 A2B7C8 -72.17 2.95 -8.58 0.03 0
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3665 9960 2 OC2H4 AB2C4 -95.9 1.65 -9.83 1.94 0
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3666 9961 2 FOC2H3 ABC2D3 -191.85 2.63 -11.32 0.03 0
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3667 9962 1 FSiC8H11 ABC8D11 -99.71 1.97 -9.41 0.12 0
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3668 9963 1 O2F3H5C8 A2B3C5D8 -219.62 4.99 -10.99 -1.35 0
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3669 9965 1 FSO2C7H7 ABC2D7E7 -115.95 7.28 -10.5 -0.85 0
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3670 9966 1 O2F3H5C8 A2B3C5D8 -219.33 2.59 -10.94 -1.49 0
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3671 9967 1 FOH7C8 ABC7D8 -64.74 4.23 -10.09 -0.88 0
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3672 9968 1 FO2H5C7 AB2C5D7 -105.01 4.87 -10.49 -1.07 0
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3673 9969 1 ClFINO2C18H28 ABCDE2F18G28 -159.74 3.91 -8.6 -1.25 0
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3674 9970 1 FINO2C18H27 ABCD2E18F27 -127.59 1.27 -8.59 -1.34 0
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3675 9972 1 FON2C7H7 ABC2D7E7 -46.41 1.86 -10.19 -0.75 0
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3676 9973 1 FO2H5C7 AB2C5D7 -106.23 3.85 -10.58 -1.03 0
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3677 9976 1 FNO2C9H10 ABC2D9E10 -115.65 2.31 -10.08 -0.59 0
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3678 9979 1 NO2F3C10H10 AB2C3D10E10 -217.02 4.4 -8.81 -0.54 0
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3680 9982 1 NC11H17 AB11C17 5.34 1.38 -8.86 0.39 0
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3681 9985 1 NC8H17 AB8C17 -29.05 1.71 -8.76 3.27 0
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3682 9986 1 FNC9H12 ABC9D12 -39.13 2.1 -9.31 -0.08 0
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3683 9987 1 FOC7H7 ABC7D7 -63.85 2.67 -8.95 -0.15 0
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3684 9991 1 C5N8H12 A5B8C12 84.09 0.89 -8.46 -0.37 0
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3685 9992 2 FOC2H3 ABC2D3 -186.4 2.12 -11.34 0.25 0
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3686 9994 1 NOC4H7 ABC4D7 -16.66 3.64 -10.01 0.48 0
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3687 10000 1 ClC3F3H4 AB3C3D4 -185.5 0.87 -11.14 0.17 0
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3688 10007 1 ClNC10H14 ABC10D14 -9.46 2.56 -9.23 0.0 0
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3689 10009 1 N2C5H6 A2B5C6 32.67 3.41 -8.82 -0.04 0
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3690 10011 1 FO2C9H17 AB2C9D17 -174.4 3.37 -11.06 0.61 0
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3692 10015 1 OC13H26 AB13C26 -100.39 3.05 -9.91 0.82 0
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3693 10016 1 FO2C4H7 AB2C4D7 -148.34 1.29 -11.18 0.62 0
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3694 10017 1 ClFO2C3H4 ABC2D3E4 -143.46 2.5 -11.78 -0.85 0
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3695 10018 1 FOSC4H7 ABCD4E7 -102.35 1.24 -9.5 0.06 0
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3696 10019 1 FNC3H8 ABC3D8 -58.91 0.39 -9.51 3.09 0
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3697 10020 1 N2C3O3H6 A2B3C3D6 -133.39 6.42 -10.4 0.04 0
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3698 10021 1 FO2C11H21 AB2C11D21 -182.99 3.33 -10.67 0.91 0
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3699 10027 1 FC8H17 AB8C17 -90.14 1.8 -10.98 3.28 0
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3700 10028 1 NO2H3C8 AB2C3D8 75.89 2.34 -10.83 -1.84 0
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3701 10029 1 FC9H19 AB9C19 -93.67 1.7 -10.93 3.27 0
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3702 10031 1 ClFC9H18 ABC9D18 -102.92 1.6 -10.59 0.89 0
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3703 10034 1 FO2C19H37 AB2C19D37 -218.54 3.61 -10.84 0.84 0
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3704 10035 1 FNOC9H16 ABCD9E16 -90.54 4.37 -9.97 1.27 0
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3705 10036 1 F2O4C9H18 A2B4C9D18 -281.5 2.02 -10.02 1.41 0
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3706 10039 1 COS ABC -25.67 0.5 -10.39 -0.58 0
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3707 10040 1 CSCl2 ABC2 25.03 0.01 -9.71 -1.84 0
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3708 10041 1 C5H12 A5B12 -35.02 0.0 -11.34 4.43 0
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3709 10042 1 NOC5H13 ABC5D13 -8.22 4.0 -7.5 0.43 0
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3710 10043 1 NC5H12 AB5C12 43.25 0.42 0.0 0.0 1
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3711 10045 1 OC6H14 AB6C14 -82.25 2.16 -10.16 2.95 0
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3712 10046 1 CNO2Br3 ABC2D3 -7.04 2.69 -11.18 -2.2 0
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3713 10048 1 ClC10H17 AB10C17 -39.81 2.32 -10.13 1.21 0
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3714 10051 2 O3C12H16 A3B12C16 -269.41 8.59 -9.62 -0.92 0
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3715 10053 1 O5C24H34 A5B24C34 -244.21 5.92 -9.75 -0.99 0
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3716 10054 1 O5C23H34 A5B23C34 -254.83 6.69 -10.05 -0.67 0
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3717 10055 2 O5C16H24 A5B16C24 -482.79 8.42 -9.81 -0.41 0
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3718 10063 4 OC6H8 AB6C8 -167.58 5.8 -9.4 -0.65 0
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3719 10064 1 NO4C19H21 AB4C19D21 -100.25 6.15 -8.6 0.0 0
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3720 10066 2 Cl3H4C6 A3B4C6 34.54 3.73 -9.67 -0.64 0
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3721 10067 1 NO10C34H53 AB10C34D53 -534.56 9.58 -8.64 0.47 0