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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311892 126598940 1 SN5H79C96 AB5C79D96 284.62 4.52 -7.84 -0.7 0
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311893 126598971 1 N2F3O4H23C24 A2B3C4D23E24 -263.2 0.81 -8.51 -0.46 0
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311894 126599027 1 F3N3O5H24C26 A3B3C5D24E26 -295.53 2.41 -8.86 -0.65 0
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311895 126599096 1 F3N3O3H22C24 A3B3C3D22E24 -195.75 2.23 -8.72 -0.59 0
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311896 126599116 1 O2N4C31H36 A2B4C31D36 -44.26 6.68 -8.88 -0.59 0
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311897 126599133 1 N2O3F4H22C27 A2B3C4D22E27 -216.44 4.54 -8.37 -1.07 0
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311898 126599134 1 N2O5C29H30 A2B5C29D30 -86.76 6.1 -8.17 -0.92 1
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311899 126599138 1 N2O7H27C30 A2B7C27D30 -179.91 2.72 0.0 0.0 1
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311900 126599141 1 O3N4C30H33 A3B4C30D33 -4.02 7.82 0.0 0.0 1
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311901 126599142 1 N2O7H31C32 A2B7C31D32 -196.17 5.74 0.0 0.0 3
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311902 126599149 1 N3O3C22H46 A3B3C22D46 -75.66 1.44 0.0 0.0 0
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311903 126599162 1 CH4P4 AB4C4 85.52 1.81 -9.22 -0.94 0
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311904 126599201 2 N2O3H13C16 A2B3C13D16 -58.12 4.72 -8.36 -1.47 0
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311905 126599255 3 NC5H9 AB5C9 19.95 3.82 -8.36 0.52 0
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311906 126599266 1 O4C15H28 A4B15C28 -191.12 1.21 -9.53 1.23 0
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311907 126599299 1 N2O3C15H22 A2B3C15D22 -123.51 2.38 -9.14 0.21 0
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311908 126599300 1 ON5C28H35 AB5C28D35 25.14 6.64 -7.74 0.07 0
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311909 126599309 1 NO4C5H9 AB4C5D9 -193.42 5.61 -10.94 0.18 0
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311910 126599339 1 N3C11H19 A3B11C19 36.43 1.92 -8.5 0.3 0
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311911 126599387 1 Cl2N4O6C17H20 A2B4C6D17E20 -204.7 5.2 -9.85 -1.4 0
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311912 126599388 1 NC13H25 AB13C25 -43.7 1.38 -8.37 2.95 0
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311913 126599389 1 ClPN6O9C35H40 ABC6D9E35F40 -308.92 9.01 -9.51 -1.45 0
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311914 126599390 1 PCl2N3O7C18H22 AB2C3D7E18F22 -263.18 7.4 -9.38 -1.04 0
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311915 126599391 1 N2O2C17H30 A2B2C17D30 -130.9 4.24 -9.25 1.09 0
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311916 126599392 1 N3O3C18H29 A3B3C18D29 -150.06 7.82 -9.46 0.69 0
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311917 126599393 1 SO7C11H22 AB7C11D22 -333.9 2.72 -9.29 0.11 0
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311918 126599394 1 ClPN7O10C30H45 ABC7D10E30F45 -431.48 6.41 -9.49 -1.09 0
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311919 126599395 1 N3C14H17 A3B14C17 136.59 1.89 -8.12 0.06 0
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311920 126599396 1 NC13H25 AB13C25 -41.16 1.54 -8.4 2.81 0
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311921 126599397 1 ClN2O2F3H14C17 AB2C2D3E14F17 -175.88 1.63 -8.79 -0.75 0
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311922 126599398 2 NOC9H12 ABC9D12 -60.05 4.33 -8.92 0.1 0
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311923 126599399 1 BrSN2O2C14H19 ABC2D2E14F19 -6.81 2.57 -7.3 -0.65 0
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311924 126599401 1 NO2C9H17 AB2C9D17 -102.38 2.12 -9.38 0.92 0
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311925 126599402 1 O5C13H20 A5B13C20 -171.66 6.44 -9.73 -0.47 0
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311926 126599403 1 SF2N2O4C20H28 AB2C2D4E20F28 -215.94 5.56 -7.28 -0.77 0
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311927 126599404 1 NPO5C6H12 ABC5D6E12 -246.73 3.46 -10.24 -0.48 0
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311928 126599405 1 IOSN3H6C8 ABCD3E6F8 66.79 3.86 -8.96 -3.29 1
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311929 126599408 1 N2C38H49 A2B38C49 31.1 0.8 0.0 0.0 1
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311930 126599409 1 IN2C47H54 AB2C47D54 74.05 1.44 0.0 0.0 0
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311931 126599410 1 O2N4C5H10 A2B4C5D10 50.63 6.81 -10.27 -1.83 0
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311932 126599411 1 S2N5C25H33 A2B5C25D33 95.73 7.68 -8.4 -0.87 0
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311933 126599412 2 SO3N4C18H23 AB3C4D18E23 -195.94 3.76 -8.78 -1.2 0
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311934 126599413 1 S2O4N9H37C38 A2B4C9D37E38 -7.41 4.49 -9.04 -1.31 0
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311935 126599414 2 SO3N5C20H20 AB3C5D20E20 -83.78 5.41 -9.04 -1.45 0
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311936 126599415 1 ON2C10H20 AB2C10D20 -66.57 4.15 -8.98 1.08 0
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311937 126599417 2 SO3N5C17H22 AB3C5D17E22 -172.47 5.78 -9.22 -1.47 0
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311938 126599418 2 SO3N5C20H21 AB3C5D20E21 -94.12 7.3 -8.75 -1.65 0
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311939 126599420 1 S2O8N10C35H46 A2B8C10D35E46 -251.07 2.61 -8.76 -1.73 0
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311940 126599421 1 BrN4O4C24H31 AB4C4D24E31 -119.99 4.01 -9.34 -1.27 0
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311941 126599422 1 NC9H17 AB9C17 4.13 1.92 -9.3 0.74 0
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311942 126599423 1 O5N7C33H43 A5B7C33D43 -165.51 7.71 -8.81 -1.0 0
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311943 126599424 1 O3N7C28H35 A3B7C28D35 -45.96 4.15 -8.61 -1.02 0
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311944 126599425 1 O4N6C27H34 A4B6C27D34 -82.68 4.39 -8.63 -0.59 0
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311945 126599426 1 NO2C10H19 AB2C10D19 -111.58 3.75 -9.07 1.32 0
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311946 126599428 1 O4N6C33H46 A4B6C33D46 -118.06 3.74 -8.88 -0.89 0
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311947 126599429 1 NS2O8C23H27 AB2C8D23E27 -307.82 4.65 -9.65 -1.91 0
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311948 126599430 1 NF3C11H14 AB3C11D14 -146.1 4.98 -8.97 -0.43 0
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311949 126599431 1 S2O6N10C35H48 A2B6C10D35E48 -188.49 2.27 -9.14 -1.5 0
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311950 126599432 1 NO4C8H15 AB4C8D15 -161.45 2.45 -10.26 -0.1 0
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311951 126599433 3 ON3C14H15 AB3C14D15 56.26 3.84 -8.72 -0.91 0
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311952 126599434 1 BrO3N4C22H23 AB3C4D22E23 -44.77 1.47 -8.94 -1.09 0
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311953 126599435 2 ON4C16H19 AB4C16D19 54.31 4.01 -8.78 -1.04 0
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311954 126599436 1 SN2O2C12H16 AB2C2D12E16 -63.12 4.27 -8.3 -0.29 0
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311955 126599437 1 N2O5C7H10 A2B5C7D10 -199.27 0.97 -10.82 -1.02 0
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311956 126599438 1 O2N6C29H36 A2B6C29D36 -18.85 8.01 -8.2 -0.65 0
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311957 126599439 1 O2N6C31H42 A2B6C31D42 -17.22 2.8 -7.96 -0.68 0
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311958 126599440 1 PSCl2N4O9C20H29 ABC2D4E9F20G29 -395.19 6.65 -9.85 -1.43 0
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311959 126599441 1 O5N8C35H40 A5B8C35D40 -64.46 3.82 -8.03 -0.48 0
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311960 126599442 1 NPSO5C7H16 ABCD5E7F16 -259.48 2.17 -10.01 -0.52 0
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311961 126599443 1 N5C17H19 A5B17C19 130.98 4.51 -8.33 -0.51 0
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311962 126599444 1 ClPSN5O9C14H21 ABCD5E9F14G21 -377.83 4.07 -9.28 -0.81 0
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311963 126599445 1 IOSF2N7H14C17 ABCD2E7F14G17 45.51 7.59 -9.13 -2.7 0
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311964 126599496 1 O5N8C23H30 A5B8C23D30 -107.14 3.98 -8.63 -0.28 0
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311965 126599864 1 BrO2N3C17H18 AB2C3D17E18 18.13 2.08 -9.03 -0.92 0
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311966 126599888 1 F2O2N5H21C22 A2B2C5D21E22 -15.14 4.21 -8.94 -1.46 0
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311967 126599974 1 ClN2O2C12H17 AB2C2D12E17 -45.2 2.87 -8.43 0.0 0
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311968 126600007 1 OSN6C20H22 ABC6D20E22 68.89 8.12 -9.23 -0.69 0
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311969 126600054 1 OSN7C22H25 ABC7D22E25 97.36 8.26 -8.94 -0.7 0
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311970 126600075 1 SO2N3C9H13 AB2C3D9E13 -58.66 9.11 -9.74 -1.26 0
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311971 126600084 1 N4C9H24 A4B9C24 -23.44 4.7 -9.14 2.62 0
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311972 126600101 2 O3N8C28H29 A3B8C28D29 46.72 9.81 -8.29 -1.0 0
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311973 126600120 1 ClFN7H21C23 ABC7D21E23 70.85 5.11 -8.04 -0.96 0
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311974 126600148 1 ON2C10H12 AB2C10D12 38.23 6.24 -10.69 0.24 0
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311975 126600152 1 ClF3N3O3H17C20 AB3C3D3E17F20 -161.3 4.76 -9.12 -1.13 0
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311976 126600207 2 ON2F4H5C10 AB2C4D5E10 -368.16 6.27 -10.08 -1.71 0
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311977 126600217 1 N3O3F6H19C22 A3B3C6D19E22 -363.59 5.53 -9.25 -1.29 0
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311978 126600260 1 N2F3O3H19C20 A2B3C3D19E20 -203.85 5.14 -9.47 -1.32 0
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311979 126600262 1 N4O5F6H18C22 A4B5C6D18E22 -441.27 5.79 -8.82 -1.49 0
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311980 126600263 3 NOF2H5C7 ABC2D5E7 -327.26 4.22 -9.72 -1.43 0
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311981 126600264 1 ON4F6H14C20 AB4C6D14E20 -241.69 1.85 -9.13 -1.6 0
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311982 126600267 1 N3O4F6H13C19 A3B4C6D13E19 -317.74 6.3 -10.01 -1.65 0
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311983 126600359 1 OSN3F6H13C20 ABC3D6E13F20 -238.99 5.3 -9.18 -1.4 0
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311984 126600387 1 ClN2F3O5H12C13 AB2C3D5E12F13 -270.24 5.61 -10.11 -1.7 0
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311985 126600391 1 F3N3O4H16C17 A3B3C4D16E17 -192.71 4.27 -9.69 -1.31 0
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311986 126600412 1 O3N4F6H18C22 A3B4C6D18E22 -368.1 7.19 -8.8 -1.51 0
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311987 126600416 1 O2N5F6H11C19 A2B5C6D11E19 -263.64 8.25 -10.04 -1.68 0
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311988 126600427 1 N3O3F6H19C22 A3B3C6D19E22 -365.7 3.45 -9.24 -1.54 0
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311989 126600433 1 ClN4O4F6H11C19 AB4C4D6E11F19 -323.51 6.08 -10.1 -1.93 0
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311990 126600594 1 N3O4F6H15C20 A3B4C6D15E20 -396.88 7.8 -9.05 -1.51 0
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311991 126600655 1 O3N4C22H28 A3B4C22D28 -88.01 5.36 -8.75 -0.66 0