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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4026 10611 1 O5C13H14 A5B13C14 -204.31 6.75 -9.3 -1.23 0
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4027 10613 2 NH2C3O3 AB2C3D3 -74.72 6.2 -10.67 -2.01 0
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4028 10614 1 H16C19 A16B19 71.18 0.14 -9.25 0.23 0
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4029 10615 1 NOH13C14 ABC13D14 4.5 4.24 -8.77 -0.25 0
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4030 10616 1 N2O2C17H28 A2B2C17D28 -86.75 4.52 -8.75 0.05 0
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4031 10617 1 O3H14C20 A3B14C20 -53.89 7.79 -9.21 -1.65 0
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4032 10618 1 ON3C12H15 AB3C12D15 18.32 4.74 -8.17 -0.23 0
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4033 10619 1 BrNOC19H32 ABCD19E32 -71.38 10.92 -7.94 0.03 0
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4034 10620 1 NOC19H32 ABC19D32 -31.81 1.7 0.0 0.0 1
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4035 10621 1 O15C28H34 A15B28C34 -610.15 1.85 -8.79 -0.6 0
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4036 10622 1 O15C28H32 A15B28C32 -596.1 6.25 -9.05 -1.21 0
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4037 10625 1 N5C10H13 A5B10C13 70.21 9.65 -9.06 -0.52 0
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4038 10626 1 NO2C8H13 AB2C8D13 -81.0 3.75 -9.15 0.41 0
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4039 10627 1 NO7C20H31 AB7C20D31 -315.89 1.2 -9.09 -0.01 0
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4040 10629 1 OSH6C8 ABC6D8 0.23 2.66 -8.43 -0.63 0
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4041 10630 1 NO3C7H11 AB3C7D11 -144.37 2.16 -10.76 -0.21 0
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4042 10631 1 O3C22H32 A3B22C32 -112.06 2.71 -8.76 -0.31 0
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4043 10632 2 OC10H16 AB10C16 -142.89 4.04 -9.23 1.38 0
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4044 10633 2 OC10H16 AB10C16 -135.07 5.2 -9.6 0.91 0
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4045 10634 1 O2C19H30 A2B19C30 -122.64 1.88 -9.21 1.29 0
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4046 10635 1 O2C19H30 A2B19C30 -111.99 5.18 -8.98 0.18 0
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4047 10636 1 NaSH5O5C10 ABC5D5E10 -173.1 8.49 -9.56 -1.55 0
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4048 10641 1 NC20H23 AB20C23 50.89 2.02 -8.62 -0.12 0
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4049 10642 1 O11H20C21 A11B20C21 -389.87 8.23 -9.02 -1.84 0
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4050 10643 1 O7C20H20 A7B20C20 -186.74 1.86 -8.6 -0.86 0
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4051 10646 1 SN2C18H20 AB2C18D20 49.67 3.99 -7.68 -0.13 0
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4052 10649 2 ClN2C15H20 AB2C15D20 -7.69 13.71 -7.54 -1.74 0
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4053 10652 1 N2O9C26H36 A2B9C26D36 -407.19 7.43 -8.86 -1.02 0
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4054 10653 1 NO4C21H25 AB4C21D25 -105.53 2.23 -8.1 0.28 0
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4055 10654 2 O2H9C11 A2B9C11 -93.46 3.81 -9.7 -1.0 0
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4056 10660 1 ClO3N5C24H28 AB3C5D24E28 -42.22 3.13 -8.85 -1.09 0
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4057 10661 1 ClO2N4C7H7 AB2C4D7E7 -48.28 2.2 -9.4 -0.96 0
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4058 10662 2 BrO2H4C7 AB2C4D7 -94.77 5.21 -9.47 -1.42 0
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4059 10663 1 SP3N7O19C24H38 AB3C7D19E24F38 -982.48 5.4 -8.99 -0.52 0
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4060 10664 2 ClNOC4H7 ABCD4E7 -140.29 6.66 -9.78 -0.92 0
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4061 10665 1 NO3H5C8 AB3C5D8 -40.78 4.99 -9.64 -1.68 0
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4062 10668 1 NS2C14H17 AB2C14D17 63.63 1.48 -8.72 -0.39 0
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4063 10669 1 NO2C18H23 AB2C18D23 -33.85 2.24 -8.78 0.2 0
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4064 10673 1 NS2H7O8C10 AB2C7D8E10 -230.97 1.85 -10.27 -2.56 0
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4065 10674 1 Cl2O2N4C21H24 A2B2C4D21E24 -89.87 6.55 -8.69 -1.05 0
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4066 10676 2 SO3H4C5 AB3C4D5 -205.54 5.04 -10.2 -1.87 0
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4067 10683 1 NO3C7H9 AB3C7D9 -110.97 1.86 -10.77 -0.34 0
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4068 10684 1 ON2C11H14 AB2C11D14 -14.59 3.01 -8.51 -0.05 0
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4069 10685 1 NOC10H11 ABC10D11 -14.44 3.55 -8.51 -0.06 0
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4070 10686 3 C3H4 A3B4 -1.78 1.11 -8.96 0.67 0
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4071 10688 2 OC4H4 AB4C4 -46.01 1.13 -10.38 -1.83 0
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4072 10690 1 C6O7H12 A6B7C12 -320.22 3.51 -11.05 0.1 0
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4073 10695 2 C5H7 A5B7 -11.76 0.5 -8.66 0.75 0
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4074 10696 1 OC9H12 AB9C12 -48.28 2.17 -8.6 0.46 0
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4075 10697 2 OC4H5 AB4C5 -85.5 1.53 -8.74 0.27 0
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4076 10700 1 SO2H4C5 AB2C4D5 -52.68 5.35 -9.84 -1.32 0
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4077 10704 1 NOC8H9 ABC8D9 -29.16 3.73 -9.62 -0.2 0
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4078 10705 1 P2N3C17O17H27 A2B3C17D17E27 -872.87 5.67 -10.19 -0.82 0
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4079 10712 1 O11C12H22 A11B12C22 -494.73 4.85 -10.48 0.5 0
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4080 10713 1 Cl2O5N8C20H20 A2B5C8D20E20 -128.86 1.22 -9.11 -1.23 0
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4081 10718 1 NO4H11C14 AB4C11D14 -124.3 9.55 -9.65 -1.07 0
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4082 10719 2 C7H8 A7B8 45.3 1.51 -7.8 -0.51 0
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4083 10720 1 C9H14 A9B14 1.78 0.37 -8.72 1.59 0
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4084 10721 1 NH7C8 AB7C8 45.02 3.87 -9.85 -0.58 0
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4085 10723 1 OC10H12 AB10C12 -39.19 2.3 -9.36 0.22 0
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4086 10724 1 OC10H10 AB10C10 -25.44 3.88 -9.65 -0.45 0
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4087 10725 1 O7H14C17 A7B14C17 -202.76 9.74 -8.67 -1.45 0
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4088 10726 1 O3C9H10 A3B9C10 -111.72 5.25 -9.81 -0.05 0
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4089 10727 1 NOC10H13 ABC10D13 -32.45 3.84 -9.33 -0.07 0
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4090 10728 1 O4C11H12 A4B11C12 -154.22 1.68 -9.67 -0.62 0
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4091 10729 1 O2H5N5C6 A2B5C5D6 -15.61 8.49 -9.82 -1.29 0
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4092 10730 2 O2H4C5 A2B4C5 -115.23 6.98 -8.62 -1.28 0
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4093 10731 1 OH10C14 AB10C14 15.77 1.26 -8.13 -0.93 0
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4094 10733 1 ClNOC12H20 ABCD12E20 -76.37 4.38 -9.62 0.08 0
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4095 10738 1 ClN2C12H13 AB2C12D13 36.36 3.9 -8.96 -0.13 0
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4096 10742 1 O5C9H10 A5B9C10 -177.56 5.42 -9.09 -0.89 0
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4097 10751 1 O9C15H16 A9B15C16 -328.47 6.95 -9.27 -1.86 0
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4098 10754 2 ClNC6H7 ABC6D7 -30.72 4.75 -8.47 -0.17 0
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4099 10761 1 ClPSN4O4C12H18 ABCD4E4F12G18 -214.6 3.37 -8.24 -0.24 0
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4100 10765 1 NO2H7C8 AB2C7D8 14.23 5.44 -8.87 -0.88 0