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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317886 126647194 2 O3N4C24H25 A3B4C24D25 -59.49 2.48 -8.75 -0.96 0
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317887 126647195 1 INO5H20C21 ABC5D20E21 -162.2 3.64 -9.27 -1.16 0
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317888 126647196 1 INO5H20C21 ABC5D20E21 -160.01 7.61 -9.4 -1.57 0
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317890 126647208 1 INO5C24H26 ABC5D24E26 -171.95 5.18 -9.33 -1.2 0
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317891 126647218 1 Cl2O6N8C53H54 A2B6C8D53E54 -106.39 6.19 -8.93 -1.29 0
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317892 126647222 1 N5O5C29H35 A5B5C29D35 -102.04 7.22 -9.27 -0.88 0
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317893 126647224 1 ClO3N7C33H40 AB3C7D33E40 -87.0 2.7 -8.54 -0.44 0
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317896 126647231 1 SO2N3C8H9 AB2C3D8E9 -61.65 7.86 -9.59 -1.33 0
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317897 126647232 1 FCl2O6N8C47H49 AB2C6D8E47F49 -178.72 8.81 -8.99 -1.27 0
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317898 126647233 1 FO6N8C47H47 AB6C8D47E47 -92.62 4.27 -8.72 -1.21 0
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317899 126647236 1 FO6N8C47H47 AB6C8D47E47 -88.39 3.74 -8.91 -1.16 0
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317900 126647274 1 O3C20H32 A3B20C32 -116.62 1.57 -8.99 -0.31 0
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317901 126647280 1 ClSN2F4H9C10 ABC2D4E9F10 -180.14 5.82 -9.17 -0.88 0
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317903 126647349 1 SO2N7C15H19 AB2C7D15E19 15.62 11.72 -8.17 -0.16 0
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317904 126647350 1 SO2N6C18H18 AB2C6D18E18 43.82 6.29 -8.51 -1.32 0
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317905 126647491 1 BrOF3N7H21C27 ABC3D7E21F27 -25.25 7.76 -9.03 -1.23 0
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317906 126647539 2 ClNC3H7 ABC3D7 4.2 3.99 -9.66 -0.28 0
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317907 126647546 1 O5C43H64 A5B43C64 -278.78 8.2 -8.75 -0.98 0
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317909 126647587 1 FNPO4C15H23 ABCD4E15F23 -277.22 5.96 -9.23 -0.11 0
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317910 126647588 1 FNPO4C13H19 ABCD4E13F19 -273.52 3.92 -9.42 -0.3 0
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317911 126647590 1 FNPO4C15H23 ABCD4E15F23 -279.38 3.26 -9.07 -0.06 1
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317912 126647594 1 NPO3C9H19 ABC3D9E19 -167.19 2.64 0.0 0.0 0
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317913 126647598 1 BrClFPN3O9C21H25 ABCDE3F9G21H25 -476.83 5.17 -10.01 -1.48 0
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317914 126647599 1 O3N4H12C13 A3B4C12D13 4.72 5.93 -9.53 -1.29 0
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317918 126647641 1 BrClPN3O8C15H21 ABCD3E8F15G21 -363.63 8.11 0.0 0.0 0
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317919 126647648 1 ClN2O2C15H19 AB2C2D15E19 -17.61 6.65 -9.12 -0.49 1
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317920 126647650 1 BrClPN4O9C18H26 ABCD4E9F18G26 -403.1 7.24 0.0 0.0 0
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317922 126647676 1 FNPO4C12H17 ABCD4E12F17 -263.31 3.1 -9.61 -0.22 0
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317923 126647720 1 N2C15H16 A2B15C16 101.8 5.81 -8.84 -0.49 1
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317924 126647732 1 NPC9H17 ABC9D17 17.4 2.78 0.0 0.0 -2
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317926 126647777 1 N2O7H44C76 A2B7C44D76 129.15 3.02 -8.04 -0.93 0
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317927 126647784 1 O2C11H14 A2B11C14 -47.34 0.42 -9.43 0.27 0
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317929 126647791 1 O3N4H16C18 A3B4C16D18 -66.91 10.89 -9.24 -1.1 0
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317930 126647803 1 ON11C28H37 AB11C28D37 114.79 1.26 -8.55 -0.46 0
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317933 126647819 1 NPO4C20H28 ABC4D20E28 -224.34 2.03 -8.6 -0.36 0
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317934 126647822 1 NPO4C15H24 ABC4D15E24 -232.9 3.72 -9.29 0.07 0
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317935 126647830 1 FNPO4C16H25 ABCD4E16F25 -290.38 4.71 -9.31 0.04 0
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317936 126647836 1 FNPO4C15H23 ABCD4E15F23 -280.54 3.37 -9.36 -0.01 0
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317937 126647839 1 BrClFPN3O9C21H25 ABCDE3F9G21H25 -474.94 4.64 -9.96 -1.38 0
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317939 126647842 1 O3N18C57H62 A3B18C57D62 169.66 3.32 -8.76 -0.66 0
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317940 126647846 1 O2N11C27H35 A2B11C27D35 80.65 2.61 -8.76 -0.54 0
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317941 126647924 2 INC3H4 ABC3D4 73.47 2.98 -8.66 -1.32 0
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317942 126647927 1 Br2P2S2I4O5H10C12 A2B2C2D4E5F10G12 -266.12 5.59 -9.32 -2.37 0
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317943 126647928 1 NC20H39 AB20C39 -57.57 1.68 -7.94 1.69 0
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317944 126647929 1 NSO2F3C11H20 ABC2D3E11F20 -268.78 5.25 -10.1 -0.79 0
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317945 126647930 1 ClPN3O9C21H27 ABC3D9E21F27 -437.23 3.74 -9.84 -0.64 0
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317946 126647931 1 NO3H33C44 AB3C33D44 73.35 1.51 -7.94 -0.64 0
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317947 126647947 1 IO2N5C34H42 AB2C5D34E42 16.71 3.81 -9.69 -1.64 0
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317948 126647955 1 NSO5C34H51 ABC5D34E51 -242.85 2.51 -8.04 0.07 0
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317950 126647969 1 NBr2O2C33H53 AB2C2D33E53 -162.23 4.23 -9.26 -0.57 0
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317951 126647971 1 OSN5C27H33 ABC5D27E33 91.91 7.57 -7.18 -0.76 0
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317952 126647975 1 O4C27H40 A4B27C40 -188.61 2.54 -8.13 0.25 0
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317953 126647977 1 O7C31H44 A7B31C44 -319.97 5.67 -8.66 -0.31 0
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317954 126647980 6 OC6H8 AB6C8 -226.07 2.29 -8.13 0.1 0
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317955 126647982 1 NO6C33H51 AB6C33D51 -299.08 3.76 -7.98 -0.03 0
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317956 126647999 1 SO3N8C20H20 AB3C8D20E20 3.16 10.96 -9.38 -1.11 0
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317960 126648005 1 SCl2F3N5O9C62H88 AB2C3D5E9F62G88 -428.26 5.87 -9.19 -1.84 0
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317961 126648006 1 SCl2F3N5O9C62H88 AB2C3D5E9F62G88 -570.31 4.2 -8.85 -1.2 0
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317962 126648007 1 NSO2F3C16H30 ABC2D3E16F30 -291.84 5.29 -10.11 -0.8 0
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317963 126648008 1 NC34H67 AB34C67 -120.47 1.67 -8.43 1.46 0
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317965 126648013 1 NO6C29H57 AB6C29D57 -348.07 2.38 -9.55 1.28 0
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317966 126648014 1 NC22H31 AB22C31 73.07 2.04 -7.98 -0.01 0
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317967 126648019 1 O2C7H10 A2B7C10 -39.52 4.89 -10.35 0.7 0
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317968 126648020 1 NC18H35 AB18C35 -60.18 1.6 -8.07 1.6 0
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317969 126648022 1 O2N3C27H33 A2B3C27D33 -30.6 4.22 -8.74 -0.7 0
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317970 126648049 1 OCl2N2H10C13 AB2C2D10E13 21.8 4.25 -9.18 -0.85 0
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317972 126648096 1 NC15H27 AB15C27 6.12 2.42 -8.02 1.04 0
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317973 126648120 1 OSN5C27H33 ABC5D27E33 89.28 7.16 -7.22 -0.96 0
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317975 126648122 1 N5C21H21 A5B21C21 115.5 5.32 -9.17 -0.48 0
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317976 126648129 1 SN4O4C34H42 AB4C4D34E42 -62.8 3.77 -6.92 -0.84 0
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317977 126648131 1 NO4C33H51 AB4C33D51 -197.13 2.14 -8.13 0.16 0
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317981 126648187 1 NC27H33 AB27C33 159.65 3.93 -8.69 -0.29 0
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317982 126648203 1 N3O3C6H7 A3B3C6D7 -54.78 2.31 -9.23 -1.06 0
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317983 126648205 1 ON7C19H23 AB7C19D23 70.82 3.35 -8.16 -0.76 0
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317984 126648206 1 S6N9H61C117 A6B9C61D117 625.96 2.94 -8.1 -1.45 0