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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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986 3621 1 NO2C7H8 AB2C7D8 -57.53 4.37 0.0 0.0 1
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987 3624 1 N3H20C21 A3B20C21 69.06 2.98 0.0 0.0 1
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988 3626 1 O2N4C7H16 A2B4C7D16 -86.13 4.11 -9.4 0.74 0
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989 3627 1 ClN2C19H23 AB2C19D23 43.07 3.43 -8.78 -0.06 0
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990 3628 1 NO9C29H39 AB9C29D39 -362.9 1.47 -8.61 -0.08 0
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991 3630 1 ON2C15H20 AB2C15D20 2.93 8.1 -8.4 -0.47 0
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992 3634 1 SN2O2C20H24 AB2C2D20E24 -45.38 4.32 -8.27 -0.78 0
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993 3635 1 SN2O2C21H26 AB2C2D21E26 -55.13 3.83 -8.16 -0.63 0
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994 3639 1 ClS2N3O4C7H8 AB2C3D4E7F8 -128.9 7.04 -9.93 -1.07 0
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995 3643 1 O8C25H34 A8B25C34 -375.76 0.67 -9.8 -0.69 0
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996 3645 1 PO8C21H31 AB8C21D31 -433.94 6.55 -9.77 -0.91 0
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997 3646 1 NO3C12H15 AB3C12D15 -81.94 1.7 -8.52 0.19 0
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998 3648 1 NO3C17H19 AB3C17D19 -88.04 5.68 -8.53 0.0 0
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999 3649 2 NOC10H13 ABC10D13 -54.57 4.9 -8.72 -0.68 0
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1000 3651 1 NOC9H13 ABC9D13 -35.64 1.17 -8.83 0.07 0
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1001 3653 1 O4C27H40 A4B27C40 -225.83 2.72 -9.84 -0.06 0
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1002 3654 1 ON4C16H16 AB4C16D16 53.46 2.48 -9.39 -0.78 0
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1003 3655 1 ON2C13H14 AB2C13D14 -19.23 1.85 -8.6 -0.45 0
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1004 3656 1 SN2O4C12H18 AB2C4D12E18 -165.81 3.87 -10.08 -0.71 0
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1005 3657 1 CN2O2H4 AB2C2D4 -53.86 3.22 -10.55 0.03 0
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1006 3658 1 ClN2O2C21H27 AB2C2D21E27 -44.55 2.27 -8.9 -0.21 0
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1007 3659 1 N3O13C20H37 A3B13C20D37 -580.35 6.14 -9.39 -0.05 0
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1008 3661 1 NO3C17H23 AB3C17D23 -122.34 2.97 -8.87 0.05 0
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1009 3662 1 O4C35H52 A4B35C52 -190.42 4.7 -8.8 -0.28 0
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1010 3663 2 O4H8C15 A4B8C15 -270.21 0.2 -8.38 -2.23 0
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1011 3664 2 O5H13C15 A5B13C15 -334.05 5.74 -8.62 -2.32 0
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1012 3666 1 O5C22H32 A5B22C32 -185.55 2.91 -10.14 -0.18 0
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1013 3668 1 IO4N6C18H19 AB4C6D18E19 -60.13 3.64 -9.1 -0.97 0
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1014 3669 1 S3O12C31H49 A3B12C31D49 -344.31 4.19 0.0 0.0 -3
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1015 3670 1 S3O12C31H52 A3B12C31D52 -554.88 6.62 -9.68 -1.3 0
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1016 3671 1 ON2C14H18 AB2C14D18 -5.71 4.68 -9.11 -0.85 0
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1017 3673 1 NO2C19H23 AB2C19D23 -61.22 4.2 -9.24 -0.23 0
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1018 3674 1 NO4H17C18 AB4C17D18 -96.51 6.14 -8.5 -0.33 0
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1019 3675 2 NC4H6 AB4C6 35.3 2.13 -9.09 0.26 0
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1020 3676 1 ON2C14H22 AB2C14D22 -45.25 2.98 -8.7 0.23 0
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1021 3677 1 NC11H17 AB11C17 3.11 1.17 -8.78 0.42 0
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1022 3678 1 NC20H27 AB20C27 23.89 1.99 -8.63 0.43 0
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1023 3679 1 S2N6O6H17C19 A2B6C6D17E19 -91.2 5.04 0.0 0.0 -1
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1024 3680 1 FO6C24H31 AB6C24D31 -316.72 10.1 -9.59 -0.22 0
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1025 3681 1 O3C21H44 A3B21C44 -223.08 2.9 -9.89 1.67 0
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1026 3682 1 NO2C17H27 AB2C17D27 -103.45 0.75 -8.47 0.46 0
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1027 3683 1 Cl2N2O4C23H26 A2B2C4D23E26 -144.22 7.14 -8.96 -0.71 0
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1028 3685 1 NO9C26H27 AB9C26D27 -348.61 7.05 -9.34 -2.24 0
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1029 3686 1 O5C19H30 A5B19C30 -201.84 2.39 -9.13 -1.64 0
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1030 3687 1 IN2O5C9H11 AB2C5D9E11 -194.09 6.07 -9.45 -1.3 0
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1031 3688 1 ClSN2O2C8H9 ABC2D2E8F9 -65.7 7.77 -8.98 -0.7 0
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1032 3689 1 NO2C21H27 AB2C21D27 -66.01 2.69 -8.74 0.21 0
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1033 3691 2 O2C11H15 A2B11C15 -147.06 2.8 -9.57 -1.92 0
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1034 3692 1 SN4C6H10 AB4C6D10 44.07 4.66 -9.28 -0.43 0
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1035 3696 1 N2C19H24 A2B19C24 44.53 2.89 -8.36 0.32 0
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1036 3697 1 PN5O7C11H16 AB5C7D11E16 -340.52 6.45 -9.18 -0.31 0
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1037 3698 1 ON3H9C10 AB3C9D10 12.49 1.26 -8.6 -0.57 0
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1038 3699 1 NP2O6C8H19 AB2C6D8E19 -393.17 5.64 -9.82 0.61 0
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1039 3700 1 NO4C20H21 AB4C20D21 -118.33 3.34 -8.72 -0.4 0
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1040 3701 1 NO4C31H43 AB4C31D43 -164.05 6.21 -9.4 -0.31 0
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1041 3702 1 ClSN3O3C16H16 ABC3D3E16F16 -53.05 4.08 -8.48 -1.22 0
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1042 3703 1 NCl2H15C16 AB2C15D16 29.58 4.71 -9.12 -0.18 0
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1043 3704 1 NO2C14H17 AB2C14D17 -37.62 2.71 -8.64 0.03 0
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1044 3705 2 NSO4H5C8 ABC4D5E8 -215.07 0.52 -9.28 -2.47 0
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1045 3706 1 O4N5C36H47 A4B5C36D47 -130.6 7.55 -8.58 -0.04 0
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1046 3708 1 SN2O5H10C16 AB2C5D10E16 -100.63 6.33 -8.94 -2.06 0
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1047 3712 1 NOC9H9 ABC9D9 -7.84 3.1 -8.7 -0.16 0
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1048 3714 1 ON4H16C23 AB4C16D23 77.18 4.61 -8.43 -1.08 0
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1049 3716 1 ClNO4C34H40 ABC4D34E40 -132.86 1.62 -8.63 -1.03 0
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1050 3717 1 ClNO4H14C19 ABC4D14E19 -105.56 7.56 -9.37 -1.48 0
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1051 3718 1 NO3H15C17 AB3C15D17 -79.81 7.25 -8.98 -0.99 0
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1052 3719 1 O5C20H28 A5B20C28 -173.52 3.97 -9.78 0.22 0
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1053 3720 6 NO2H5C7 AB2C5D7 -264.13 5.96 -10.51 -1.33 0
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1054 3723 1 N2I3O4H11C12 A2B3C4D11E12 -99.74 4.19 -9.67 -1.87 0
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1055 3725 1 INO5H12C17 ABC5D12E17 -83.24 5.56 -9.15 -1.34 0
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1056 3726 1 IOSN3H16C21 ABCD3E16F21 105.04 5.87 -8.66 -1.0 0
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1057 3729 1 INC12H18 ABC12D18 11.7 2.42 -8.86 -0.75 0
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1058 3733 1 O9C41H72 A9B41C72 -519.41 1.79 -9.36 0.25 0
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1059 3734 1 I3N3O8C17H22 A3B3C8D17E22 -281.33 4.69 -9.96 -2.23 0
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1060 3735 1 NO2I3C11H12 AB2C3D11E12 -35.81 6.54 -9.09 -1.54 0