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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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321369 126665898 1 ClF2O2N4H15C20 AB2C2D4E15F20 -50.15 3.92 -8.93 -1.44 0
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321370 126665900 1 F3O4N5H34C37 A3B4C5D34E37 -166.04 3.74 -8.92 -1.24 0
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321371 126665903 1 O2H3N3C5 A2B3C3D5 25.39 6.56 -10.34 -1.86 0
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321372 126665904 1 ClFO2N3H11C14 ABC2D3E11F14 -30.67 1.54 -9.71 -1.32 0
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321373 126665905 1 NOC16H19 ABC16D19 -23.3 1.77 -8.59 0.16 0
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321374 126665906 1 OF4N7H25C30 AB4C7D25E30 -49.71 6.91 -9.31 -1.36 0
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321375 126665917 1 BrO3F4N4C29H31 AB3C4D4E29F31 -264.6 6.43 -9.6 -1.23 0
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321376 126665918 1 O3F4N5C35H37 A3B4C5D35E37 -228.33 6.54 -9.45 -1.26 0
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321377 126665919 1 O2F3N4H27C29 A2B3C4D27E29 -112.5 3.11 -8.76 -1.16 0
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321378 126665920 1 O3F4N4H18C26 A3B4C4D18E26 -174.42 6.32 -9.19 -1.46 0
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321379 126665926 1 OF3N5C32H32 AB3C5D32E32 -44.03 5.43 -8.89 -0.97 0
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321380 126665928 1 OF3N5H32C35 AB3C5D32E35 -40.41 3.24 -9.05 -1.2 0
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321381 126665930 1 F4O5N6C40H46 A4B5C6D40E46 -343.5 8.23 -9.37 -0.98 0
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321382 126665931 1 SO2F4N7C35H35 AB2C4D7E35F35 -120.31 8.27 -8.48 -1.29 0
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321383 126665936 1 OF4N7H27C31 AB4C7D27E31 -63.02 7.35 -9.48 -1.44 0
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321384 126665937 1 OSN3C23H29 ABC3D23E29 42.56 7.49 -8.27 -0.46 0
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321385 126665938 1 SF4O4N5C39H45 AB4C4D5E39F45 -272.33 7.03 -8.56 -1.12 0
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321386 126665939 1 OSN3C23H29 ABC3D23E29 44.35 8.38 -8.22 -0.67 0
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321387 126665940 1 ClO3N4H17C21 AB3C4D17E21 -0.75 2.99 -9.45 -1.46 0
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321388 126665942 1 O3F4N6C33H34 A3B4C6D33E34 -192.72 8.04 -9.51 -0.94 0
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321389 126665943 1 O3F4N6C33H34 A3B4C6D33E34 -208.92 4.76 -9.57 -1.01 0
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321390 126665944 1 NO5C8H11 AB5C8D11 -151.34 4.26 -10.2 -1.01 0
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321391 126665945 2 OF2N3C16H16 AB2C3D16E16 -156.62 4.24 -9.49 -1.08 0
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321392 126665946 1 ClF3N4O4H28C30 AB3C4D4E28F30 -213.72 3.47 -9.52 -1.6 0
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321393 126665948 1 O2F4N4H12C19 A2B4C4D12E19 -157.21 0.9 -9.51 -1.46 0
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321394 126665949 1 O2F3N5C29H30 A2B3C5D29E30 -136.3 5.79 -9.38 -1.23 0
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321395 126665950 1 ON3H11C14 AB3C11D14 47.35 2.96 -9.0 -0.83 0
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321396 126665951 1 O2F3N5H30C36 A2B3C5D30E36 -33.42 1.17 -8.66 -1.46 0
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321397 126665952 1 ClOSN3C6H10 ABCD3E6F10 -34.42 3.96 -9.52 -0.75 0
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321398 126665953 1 ClOH5N5F9C13 ABC5D5E9F13 -396.61 2.16 -9.56 -1.69 0
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321399 126665954 1 ClON5F7H7C13 ABC5D7E7F13 -312.39 2.09 -9.54 -1.47 0
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321400 126665955 1 ClON5C17H20 ABC5D17E20 -5.0 4.89 -8.98 -0.46 0
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321401 126665956 1 F4O4N5H29C30 A4B4C5D29E30 -292.51 6.97 -8.71 -0.85 1
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321402 126665957 1 ClFON5C14H16 ABCD5E14F16 -14.71 4.24 0.0 0.0 0
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321403 126665958 1 F3O3N7C31H34 A3B3C7D31E34 -152.01 6.29 -9.14 -1.27 0
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321404 126665959 1 F3O3N7C31H34 A3B3C7D31E34 -161.46 7.64 -9.25 -1.19 0
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321405 126665960 1 F3O4N5C34H36 A3B4C5D34E36 -216.1 7.84 -8.92 -1.0 0
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321406 126665961 1 F3O4N5C34H36 A3B4C5D34E36 -224.77 5.94 -8.75 -1.02 0
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321407 126665964 1 O3N5F6C35H35 A3B5C6D35E35 -341.07 5.86 -9.47 -1.34 0
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321408 126665966 1 SF3O3N5H26C30 AB3C3D5E26F30 -105.96 5.68 -8.97 -1.52 0
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321409 126665967 1 FOSN3C21H28 ABCD3E21F28 -24.12 3.17 -8.29 -0.14 0
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321410 126665970 1 O2F3N5H20C24 A2B3C5D20E24 -112.4 3.57 -9.33 -1.06 0
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321411 126665971 1 OF3N7H22C26 AB3C7D22E26 3.42 1.36 -9.18 -1.46 0
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321412 126665972 1 ClO3N4H19C22 AB3C4D19E22 -10.86 4.84 -9.02 -1.18 0
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321413 126665974 1 F2O2N3H11C14 A2B2C3D11E14 -68.85 1.54 -9.71 -1.32 0
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321414 126665975 1 F3O4N5C34H36 A3B4C5D34E36 -217.79 4.25 -9.26 -0.99 0
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321415 126665976 1 ClSN4O4H17C20 ABC4D4E17F20 -33.41 3.03 -9.49 -1.46 0
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321416 126665977 1 F3O4N5C34H36 A3B4C5D34E36 -218.18 4.21 -9.21 -1.04 0
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321417 126665978 1 ClN3O4H20C23 AB3C4D20E23 -6.1 1.9 -8.47 -1.18 0
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321418 126665979 1 O3F4N6H26C28 A3B4C6D26E28 -216.72 8.79 -9.43 -0.96 0
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321419 126665986 1 OF3N5C29H30 AB3C5D29E30 -90.32 2.36 -9.04 -1.1 0
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321420 126665989 1 OF3N5H26C31 AB3C5D26E31 -13.71 6.94 -9.26 -1.42 0
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321421 126665990 1 FO2N3H8C12 AB2C3D8E12 -15.49 1.05 -9.5 -1.5 0
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321422 126665991 1 F3N4O4C18H19 A3B4C4D18E19 -272.13 1.37 -9.97 -1.48 0
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321423 126665993 1 F4N4O4H18C23 A4B4C4D18E23 -242.83 7.71 -9.14 -1.33 0
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321424 126665997 2 OF2N3C15H15 AB2C3D15E15 -147.15 8.26 -9.5 -0.96 0
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321425 126666010 1 SF4O4N6C40H44 AB4C4D6E40F44 -239.57 7.72 -8.65 -0.71 0
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321426 126666022 1 N4O6H12C15 A4B6C12D15 -57.8 3.75 -10.4 -2.04 0
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321427 126666024 1 FO2N3H12C14 AB2C3D12E14 -24.49 1.99 -9.54 -1.21 0
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321428 126666025 1 F4N5O5C31H35 A4B5C5D31E35 -381.12 4.49 -9.4 -1.19 0
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321429 126666028 1 O3N4H16C19 A3B4C16D19 30.59 2.37 -9.17 -1.39 0
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321430 126666029 1 O2F3N4H15C24 A2B3C4D15E24 -75.46 0.98 -9.15 -1.49 0
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321431 126666030 1 ClO2N5H14C18 AB2C5D14E18 64.51 3.6 -9.6 -1.67 0
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321432 126666031 1 ClO2N3H20C22 AB2C3D20E22 34.32 1.79 -9.51 -1.15 0
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321433 126666032 1 BrClO2N3H11C15 ABC2D3E11F15 42.18 1.7 -9.64 -1.51 0
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321434 126666033 1 ClN4O4H25C26 AB4C4D25E26 -42.02 6.11 -9.12 -1.18 0
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321435 126666034 1 F3O3N6H27C29 A3B3C6D27E29 -138.74 1.91 -8.6 -1.54 0
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321436 126666035 1 FNO4H8C12 ABC4D8E12 -120.17 4.29 -10.81 -2.16 0
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321437 126666038 4 NOC3H5 ABC3D5 -167.45 3.99 -10.04 -0.06 0
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321438 126666039 1 FNO5C15H16 ABC5D15E16 -240.53 7.84 -9.72 -0.57 0
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321439 126666040 1 ClN4O4H23C24 AB4C4D23E24 -47.32 4.94 -9.2 -1.22 0
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321440 126666041 1 F3N3O4H18C22 A3B3C4D18E22 -182.32 3.9 -8.6 -1.19 0
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321441 126666042 1 O3N4C20H20 A3B4C20D20 -14.69 7.13 -9.76 -1.1 0
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321442 126666047 1 BrClNO2H7C8 ABCD2E7F8 -69.81 2.16 -9.4 -2.5 0
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321443 126666050 1 ClN3O3H16C20 AB3C3D16E20 10.09 1.93 -9.14 -1.34 0