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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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160900 57390173 1 ON6C14H14 AB6C14D14 60.12 7.76 -8.64 -0.86 0
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160901 57390176 1 SO4N5C17H17 AB4C5D17E17 20.32 8.73 -8.48 -1.48 0
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160902 57390177 1 ClFO3N8C29H32 ABC3D8E29F32 -84.7 7.54 -8.64 -0.94 0
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160903 57390184 1 N3O3C7H13 A3B3C7D13 -126.89 7.05 -9.76 0.57 0
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160904 57390192 1 O3N4C26H32 A3B4C26D32 -31.64 4.5 -9.06 0.03 0
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160906 57390195 1 N2O2Br4H8C11 A2B2C4D8E11 -21.88 6.4 -9.41 -1.34 0
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160907 57390204 2 O4H7C9 A4B7C9 -261.85 7.41 -9.7 -1.4 0
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160908 57390208 1 SCl2O3N4H16C19 AB2C3D4E16F19 -49.01 10.1 -9.13 -1.36 0
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160909 57390211 1 O2N3C24H33 A2B3C24D33 -62.86 5.25 -8.38 -0.17 0
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160910 57390212 1 O2N3C22H29 A2B3C22D29 -56.0 4.45 -8.39 -0.09 0
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160911 57390218 1 SN4O4C29H38 AB4C4D29E38 -148.88 6.46 -8.5 -0.85 0
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160912 57390220 1 SO2N7H13C15 AB2C7D13E15 44.24 9.17 -9.44 -1.61 0
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160914 57390225 1 O2N5C28H31 A2B5C28D31 22.11 3.95 -8.57 -0.49 0
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160915 57390231 1 SN2O5C23H24 AB2C5D23E24 -131.92 11.3 -9.39 -1.22 0
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160916 57390234 1 NSF3O5H24C25 ABC3D5E24F25 -303.87 11.38 -9.41 -1.18 0
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160917 57390235 1 N2O8H16C25 A2B8C16D25 -216.0 7.25 -9.44 -1.97 0
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160918 57390240 1 P11N36O106C156H193 A11B36C106D156E193 -4876.65 32.97 -10.05 -1.3 0
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160919 57390242 1 SO2N3C20H23 AB2C3D20E23 -23.27 8.43 -8.35 -0.69 0
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160920 57390245 1 S2N9O13C47H55 A2B9C13D47E55 -468.73 10.09 -8.77 -0.74 0
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160922 57390249 1 ClON5H14C17 ABC5D14E17 95.09 2.86 -8.52 -0.98 0
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160923 57390254 2 N2O2C11H13 A2B2C11D13 -112.01 9.93 -8.45 -0.34 0
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160924 57390256 1 N5C17H17 A5B17C17 104.85 1.4 -8.42 -1.02 0
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160925 57390258 1 PN3O5C26H30 AB3C5D26E30 -135.16 10.34 -9.28 -1.27 0
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160926 57390259 1 SN2O7C24H24 AB2C7D24E24 -146.79 11.55 -9.5 -1.64 0
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160927 57390264 1 ClON6H13C14 ABC6D13E14 67.71 3.16 -8.7 -1.18 0
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160928 57390271 1 FSN6H13C14 ABC6D13E14 75.57 4.86 -8.49 -0.76 0
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160930 57390282 1 SF3N3O4H14C19 AB3C3D4E14F19 -175.65 7.44 -8.85 -1.67 0
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160931 57390287 1 F2N2O3C28H30 A2B2C3D28E30 -146.83 5.05 -8.74 -0.89 0
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160932 57390288 1 N4H22C23 A4B22C23 101.88 3.22 -7.9 -0.29 0
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160933 57390294 3 O4C9H12 A4B9C12 -474.9 4.13 -8.52 -0.34 0
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160934 57390295 1 ClO2N4H13C17 AB2C4D13E17 37.68 3.09 -8.55 -1.05 0
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160935 57390299 1 N5O6C29H31 A5B6C29D31 -184.54 4.01 -8.76 -0.84 0
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160937 57390306 1 SO2N4C31H32 AB2C4D31E32 53.03 1.34 -8.45 -0.45 0
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160938 57390307 1 SN4O4C15H16 AB4C4D15E16 -102.29 7.73 -9.32 -0.61 0
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160939 57390315 1 N8O13C53H84 A8B13C53D84 -650.63 12.16 -9.12 -0.58 0
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160940 57390316 1 BrN2S3O4H9C12 AB2C3D4E9F12 -46.57 6.47 -9.71 -1.52 0
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160941 57390318 1 FN2S2O7C20H21 AB2C2D7E20F21 -164.07 10.13 -9.47 -2.26 0
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160942 57390323 1 O2S2N4H20C23 A2B2C4D20E23 64.46 6.18 -8.48 -0.93 0
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160944 57390327 1 O2S2N4H18C19 A2B2C4D18E19 48.53 7.04 -8.48 -0.93 0
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160945 57390337 1 SO3N4C26H34 AB3C4D26E34 -47.96 5.49 -8.18 -1.18 0
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160946 57390338 1 ClFN2O3C23H30 ABC2D3E23F30 -161.97 1.93 -8.35 -1.11 0
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160947 57390339 1 FN2O3C23H29 AB2C3D23E29 -130.11 3.14 -8.31 -0.84 0
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160948 57390342 1 FN3O6C15H18 AB3C6D15E18 -221.72 4.3 -9.68 -1.09 0
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160949 57390343 1 NO3H19C21 AB3C19D21 -62.57 4.48 -9.39 -0.86 0
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160950 57390346 1 ClFN6H12C20 ABC6D12E20 99.69 4.3 -9.06 -1.62 0
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160951 57390347 1 FON4H13C19 ABC4D13E19 15.33 3.94 -8.97 -1.46 0
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160952 57390348 1 OSCl2N3H11C14 ABC2D3E11F14 7.72 1.42 -9.29 -1.06 0
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160953 57390351 1 O3N7H21C24 A3B7C21D24 43.4 4.89 -8.37 -1.28 0
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160955 57390353 3 FNOC7H8 ABCD7E8 -216.79 8.47 -9.03 -0.53 0
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160956 57390358 1 N3O10C44H50 A3B10C44D50 -270.38 3.36 0.0 0.0 0
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160958 57390362 1 SN3O5C17H17 AB3C5D17E17 -52.73 10.29 -9.06 -1.75 0
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160959 57390363 1 SCl2N2O4H14C17 AB2C2D4E14F17 -77.07 1.73 -9.66 -1.12 0
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160960 57390369 1 NS2O6C31H37 AB2C6D31E37 -206.4 3.17 -8.65 -1.08 1
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160961 57390370 1 PSN3O6C22H29 ABC3D6E22F29 -251.13 7.74 0.0 0.0 0
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160962 57390371 1 ON2H8C12 AB2C8D12 56.72 2.16 -9.78 -1.04 0
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160965 57390377 1 BrION2C10H16 ABCD2E10F16 61.31 11.75 -7.59 -0.23 0
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160968 57390387 1 N5O5C23H35 A5B5C23D35 -232.29 8.14 -9.14 -0.14 0
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160969 57390390 1 ClF2O3H11C15 AB2C3D11E15 -178.64 2.12 -9.84 -1.05 0
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160970 57390391 1 N10C15H18 A10B15C18 220.38 5.57 -9.2 -0.72 0
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160972 57390403 1 O2F3N7C24H28 A2B3C7D24E28 -109.68 11.62 -9.13 -0.95 0
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160973 57390405 1 F3O3N7C26H30 A3B3C7D26E30 -169.03 12.81 -9.18 -0.98 0
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160974 57390406 1 FN3O3H20C21 AB3C3D20E21 -118.2 8.24 -9.43 -1.44 0
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160975 57390408 1 N2O3C24H38 A2B3C24D38 -134.59 6.28 -8.35 -0.15 0
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160976 57390409 1 O2F3N7H24C31 A2B3C7D24E31 -51.98 5.94 -9.05 -1.51 0
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160979 57390424 1 NO5C24H27 AB5C24D27 -148.86 3.53 -8.13 -0.61 0
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160980 57390425 1 N2O5C29H36 A2B5C29D36 -160.31 3.96 -8.18 -0.62 0
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160981 57390426 1 NO5C25H29 AB5C25D29 -105.49 7.19 -7.0 -2.2 0
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160982 57390431 1 ON5C23H25 AB5C23D25 68.81 8.58 -8.89 -1.03 0
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160983 57390437 1 SO2N3H19C20 AB2C3D19E20 18.55 5.93 -8.88 -0.92 0
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160984 57390438 1 Cl2N3O4H9C16 A2B3C4D9E16 12.01 8.67 -9.74 -1.67 0
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160985 57390439 2 ON2H6C8 AB2C6D8 65.1 5.75 -9.27 -1.54 0
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160987 57390443 1 ClN5H14C17 AB5C14D17 117.44 5.68 -9.94 -1.46 0
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160988 57390444 1 ClN4C13H13 AB4C13D13 72.34 6.39 -9.76 -1.24 0
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160990 57390450 1 NS3O11H29C32 AB3C11D29E32 -299.46 5.39 -8.7 -1.8 0
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160991 57390458 1 ClN2O4C29H35 AB2C4D29E35 -176.17 6.6 -9.26 -1.09 0
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160993 57390466 1 SCl2O6N8C35H46 AB2C6D8E35F46 -192.06 6.53 -8.6 -1.3 0
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160994 57390467 1 BrO4H23C28 AB4C23D28 -70.64 3.55 -8.69 -0.68 0
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160995 57390468 1 BrO4H23C28 AB4C23D28 -83.05 3.87 -8.56 -0.23 0
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160996 57390470 1 Cl2F2O3N4H14C21 A2B2C3D4E14F21 -105.93 5.39 -9.43 -1.64 0
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160998 57390476 1 FN3H16C20 AB3C16D20 61.44 4.66 -9.16 -0.2 0
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161003 57390486 1 NC23H39 AB23C39 -54.25 1.39 -8.73 0.53 0
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161004 57390487 1 O2N6C15H18 A2B6C15D18 -16.75 5.01 -8.64 -0.35 0
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161005 57390488 1 ClN2H15C17 AB2C15D17 46.76 7.32 -8.28 -0.94 0
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161006 57390495 1 N2O9H30C31 A2B9C30D31 -281.62 3.04 -8.82 -0.24 0
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161009 57390512 1 N2S2O5H20C21 A2B2C5D20E21 -123.67 9.48 -9.35 -1.6 0
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161010 57390519 1 FON6C22H27 ABC6D22E27 -26.07 3.54 -8.29 -0.51 0
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161011 57390520 1 FON7C24H26 ABC7D24E26 30.6 2.68 -8.33 -0.78 0
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161012 57390521 1 SN4C18H20 AB4C18D20 63.55 6.03 -8.89 -0.88 0
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161013 57390523 1 O7H34C35 A7B34C35 -198.29 1.35 -9.01 -0.86 0
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161014 57390529 1 O3N4C32H36 A3B4C32D36 70.42 8.91 -8.42 -2.74 0
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161015 57390530 1 FO3N4C34H35 AB3C4D34E35 -3.74 5.9 -8.51 -2.18 0
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161016 57390534 1 BrOCl3N4C28H30 ABC3D4E28F30 10.63 2.18 -8.33 -1.25 0
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161017 57390537 1 FOSN2C15H15 ABCD2E15F15 -30.29 5.74 -8.79 -0.69 0
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161018 57390540 1 O2N3C33H45 A2B3C33D45 -64.22 3.3 -8.42 0.55 0
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161019 57390541 1 BrNO6H26C28 ABC6D26E28 -142.69 3.2 -7.85 -0.78 1
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161020 57390542 1 NO6H26C28 AB6C26D28 -129.75 2.23 0.0 0.0 1
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161021 57390544 1 NO6H28C29 AB6C28D29 -146.92 1.42 0.0 0.0 0
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161022 57390545 1 O2Cl3N4H21C23 A2B3C4D21E23 -40.71 1.74 -9.11 -0.91 0
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161024 57390548 1 ClFSO2N4H14C20 ABCD2E4F14G20 -25.11 7.45 -8.79 -1.1 0
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161025 57390549 1 ClSO3N5H12C19 ABC3D5E12F19 48.86 9.41 -9.18 -1.79 0