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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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1061 3736 1 I3N3O8C18H24 A3B3C8D18E24 -278.09 7.0 -8.77 -1.95 0
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1062 3737 1 N2I3O4H9C11 A2B3C4D9E11 -85.88 6.25 -9.78 -2.0 0
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1063 3741 3 INO3C6H8 ABC3D6E8 -310.21 1.95 -8.38 -1.95 0
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1064 3742 1 N5I6O8H21C24 A5B6C8D21E24 -168.8 8.58 -9.87 -2.4 0
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1065 3743 1 I3N3O8C18H24 A3B3C8D18E24 -274.26 2.53 -8.59 -2.11 0
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1066 3744 1 NO2C11H11 AB2C11D11 -57.87 5.08 -8.86 -0.37 0
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1067 3745 1 O3H16C18 A3B16C18 -68.99 6.72 -9.3 -0.81 0
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1068 3747 1 O3H16C18 A3B16C18 -67.06 4.46 -9.02 -0.65 0
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1069 3748 1 ON3C9H13 AB3C9D13 -1.88 2.77 -9.53 -0.74 0
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1070 3750 1 N4O6C33H38 A4B6C33D38 -204.55 14.07 -9.02 -1.43 0
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1071 3751 1 O4C31H50 A4B31C50 -202.62 3.33 -9.13 -0.23 0
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1072 3752 1 Cl2N5H7C9 A2B5C7D9 55.69 2.24 -9.43 -0.78 0
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1073 3753 1 NO4H19C21 AB4C19D21 -88.59 2.73 -8.55 -0.61 0
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1074 3755 1 N5O12C22H43 A5B12C22D43 -546.86 7.81 -9.39 0.65 0
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1075 3756 1 ClON3H10C11 ABC3D10E11 17.92 5.06 -8.56 -1.26 0
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1076 3757 1 O11C23H28 A11B23C28 -452.58 5.77 -9.85 -0.46 0
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1077 3758 2 ON2C5H7 AB2C5D7 -64.38 3.06 -9.26 -0.69 0
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1078 3760 1 ON2Cl4H14C18 AB2C4D14E18 4.25 5.8 -9.3 -0.83 0
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1079 3761 1 O6H24C25 A6B24C25 -194.47 8.82 -8.65 -1.36 0
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1080 3762 1 NO3C13H21 AB3C13D21 -135.47 4.61 -8.61 0.15 0
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1081 3763 1 ClOH2C3F5 ABC2D3E5 -323.26 1.76 -11.62 -0.55 0
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1082 3764 4 OH3C4 AB3C4 -95.9 3.6 -8.74 -0.73 0
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1083 3765 1 NO2C6H9 AB2C6D9 -75.28 3.88 -9.65 -0.36 0
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1084 3766 1 Br2Cl3C10H15 A2B3C10D15 -58.04 1.72 -10.34 -0.63 0
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1085 3769 1 SN3O4C7H9 AB3C4D7E9 -109.78 4.33 -10.1 -0.82 0
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1086 3770 1 P2N8O15C27H30 A2B8C15D27E30 -605.5 18.29 -8.87 -3.23 0
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1087 3771 1 P2N8O15C27H31 A2B8C15D27E31 -636.54 3.29 0.0 0.0 1
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1088 3772 1 ON2C6H12 AB2C6D12 -58.11 2.95 -9.42 1.08 0
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1089 3773 1 NO2C6H11 AB2C6D11 -99.79 4.79 -9.72 0.59 0
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1090 3774 1 NO2C12H17 AB2C12D17 -78.62 2.88 -8.79 0.74 0
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1091 3775 1 ON2C23H33 AB2C23D33 12.75 3.56 0.0 0.0 1
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1092 3776 1 OC3H8 AB3C8 -67.18 2.19 -10.54 2.92 0
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1093 3777 1 O5C25H44 A5B25C44 -296.72 4.34 -9.9 0.59 0
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1094 3778 1 ON2C14H18 AB2C14D18 -4.14 5.03 -8.57 -0.19 0
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1095 3779 1 NO3C11H17 AB3C11D17 -123.51 3.59 -8.68 0.07 0
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1096 3781 1 SN3C16H19 AB3C16D19 59.01 1.14 -7.72 -0.5 0
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1097 3782 1 SN3O5H13C14 AB3C5D13E14 -92.84 7.87 -8.94 -1.21 0
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1098 3783 1 NO3C18H23 AB3C18D23 -96.88 2.4 -8.9 0.13 0
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1099 3784 1 N3O5C19H21 A3B5C19D21 -105.4 8.58 -9.12 -1.09 0
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1100 3786 1 NSO2H11C12 ABC2D11E12 -5.83 2.79 -9.33 -0.76 0
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1101 3787 1 NO2C11H15 AB2C11D15 -48.91 3.49 -9.32 0.22 0
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1102 3788 2 NOC7H10 ABC7D10 -60.11 3.99 -9.76 0.36 0
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1103 3789 1 NO2C13H21 AB2C13D21 -98.0 3.96 -9.38 0.36 0
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1104 3792 2 NO2C10H13 AB2C10D13 -111.27 4.11 -8.59 -0.3 0
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1105 3793 1 Cl2O4N8C35H38 A2B4C8D35E38 -21.62 5.09 -8.17 -0.84 0
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1106 3794 1 N3O3H15C16 A3B3C15D16 -33.72 3.66 -8.44 -0.82 0
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1107 3795 1 BrN3O3H14C16 AB3C3D14E16 -32.02 4.81 -8.42 -0.92 0
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1108 3797 1 NOC23H25 ABC23D25 14.53 2.55 -8.78 -0.79 0
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1109 3799 1 OH10C13 AB10C13 25.08 2.95 -9.13 -0.84 0
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1110 3800 1 BrN4O6C36H45 AB4C6D36E45 -246.72 6.37 -8.63 -0.31 0