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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150282 53789970 1 N3O7C28H35 A3B7C28D35 -293.6 3.07 -9.14 -0.52 0
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150283 53789971 1 ClN2O4C21H21 AB2C4D21E21 -92.55 3.1 -8.9 -0.6 0
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150284 53789972 1 O3C9H16 A3B9C16 -170.78 3.11 -10.55 0.76 0
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150285 53789973 1 ON3C10H13 AB3C10D13 -6.07 2.02 -9.51 -0.22 0
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150286 53789974 1 ClF2C29H31 AB2C29D31 -86.58 4.48 -8.97 -0.29 1
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150287 53789975 1 N4C23H25 A4B23C25 153.04 5.06 0.0 0.0 0
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150288 53789976 2 NC3H7 AB3C7 -16.58 2.45 -8.96 2.85 0
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150289 53789977 1 N4O5C12H16 A4B5C12D16 -102.72 10.44 -8.54 -0.65 0
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150290 53789978 1 SO3C22H24 AB3C22D24 -94.41 3.17 -9.2 -0.69 0
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150291 53789979 4 OC4H4 AB4C4 -104.2 2.23 -8.21 -0.12 0
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150292 53789980 1 FON5C23H26 ABC5D23E26 32.84 1.15 -8.92 -0.3 0
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150293 53789981 1 N3O7C37H59 A3B7C37D59 -377.32 3.76 -9.25 -0.67 0
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150294 53789982 1 SN2O2C23H28 AB2C2D23E28 -35.25 9.79 -8.25 -0.71 0
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150295 53789983 1 N2O5C16H20 A2B5C16D20 -193.64 2.6 -10.46 -0.61 0
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150296 53789984 2 OC6H9 AB6C9 -87.91 2.03 -9.75 -0.35 0
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150297 53789985 1 SO3C23H32 AB3C23D32 -138.17 3.72 -8.5 0.17 0
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150298 53789986 1 OH10C11 AB10C11 100.34 0.48 -8.34 -0.13 0
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150299 53789987 1 N2O3H16C17 A2B3C16D17 -18.41 2.48 -9.14 -1.06 0
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150300 53789988 1 FN4O4C34H43 AB4C4D34E43 -184.48 3.96 -8.7 -0.21 0
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150301 53789989 1 ON2C8H14 AB2C8D14 -32.95 3.79 -9.37 0.85 0
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150302 53789990 1 ClNOF3H13C18 ABCD3E13F18 -131.93 4.95 -10.24 -1.34 0
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150303 53789991 2 OC25H41 AB25C41 -148.0 1.9 -8.7 0.91 0
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150304 53789992 1 SN3O6C22H29 AB3C6D22E29 -232.69 3.29 -9.28 -0.21 0
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150305 53789993 1 IO8N9C37H50 AB8C9D37E50 -280.76 15.03 -9.47 -1.35 0
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150306 53789994 2 O2C7H8 A2B7C8 -169.42 3.43 -10.26 -1.42 0
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150307 53789995 1 NO3C7H13 AB3C7D13 -147.41 2.58 -10.51 -0.03 0
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150308 53789996 1 BrO6H13C17 AB6C13D17 -148.42 6.08 -9.58 -1.6 0
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150309 53789997 1 OF4N9S10Br11Cl24H92C101 AB4C9D10E11F24G92H101 -87.6 4.54 -8.27 -1.1 0
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150310 53789998 2 NC7H11 AB7C11 20.1 6.02 -9.94 0.71 0
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150311 53789999 1 N5H19C23 A5B19C23 126.58 1.43 -8.55 -0.56 0
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150312 53790000 1 NO2H19C22 AB2C19D22 9.39 4.5 -8.65 -0.87 0
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150313 53790001 1 BrON3C22H26 ABC3D22E26 46.28 3.7 -8.6 -0.42 0
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150314 53790002 1 SO4N5C24H27 AB4C5D24E27 -61.91 8.91 -8.31 -0.88 0
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150315 53790003 1 N2O3C19H36 A2B3C19D36 -190.11 3.98 -9.2 0.39 0
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150316 53790004 1 O2N3C27H29 A2B3C27D29 -34.1 3.19 -9.19 -0.66 0
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150317 53790005 1 O5C19H24 A5B19C24 -169.63 3.97 -8.77 0.2 0
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150318 53790006 1 SO3C19H30 AB3C19D30 -164.24 6.41 -9.91 -0.63 0
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150319 53790007 1 OCl2N4C26H28 AB2C4D26E28 6.81 5.11 -8.7 -0.62 0
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150320 53790008 1 NOC9H19 ABC9D19 -58.86 1.22 -8.64 2.06 0
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150321 53790009 2 FNC7H11 ABC7D11 -98.26 3.26 -9.22 -0.44 0
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150322 53790010 1 N3O3C16H29 A3B3C16D29 -181.24 5.11 -9.46 0.45 0
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150323 53790011 1 BrN2O2C19H27 AB2C2D19E27 -67.37 5.79 -8.79 -0.45 1
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150324 53790012 1 N2O3H11C15 A2B3C11D15 -57.03 8.47 0.0 0.0 0
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150325 53790013 1 N2O2C7H8 A2B2C7D8 11.82 4.74 -9.39 -0.72 0
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150326 53790014 1 SH5N5C8 AB5C5D8 137.04 7.28 -9.28 -1.58 0
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150327 53790015 1 ClC10H19 AB10C19 -36.91 2.19 -9.71 0.69 0
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150328 53790016 1 ClO2N3C13H20 AB2C3D13E20 -28.13 4.83 -9.04 -0.87 0
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150329 53790017 1 NC9H19 AB9C19 -29.48 1.41 -8.54 2.89 0
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150330 53790018 1 ON2C27H36 AB2C27D36 -0.91 5.86 -7.82 -0.05 0
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150331 53790019 1 N2O5C52H56 A2B5C52D56 -141.58 5.6 -7.86 -0.26 0
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150332 53790020 1 NO12H37C38 AB12C37D38 -354.36 5.4 -9.15 -1.0 0
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150333 53790021 1 NO2C20H21 AB2C20D21 -11.17 6.41 -9.25 -0.89 0
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150334 53790022 5 OC4H6 AB4C6 -238.85 5.66 -9.95 -0.22 0
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150335 53790023 5 OC4H6 AB4C6 -240.37 5.62 -10.18 -0.01 0
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150336 53790024 1 O5C13H16 A5B13C16 -207.77 3.2 -9.14 -0.03 0
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150337 53790025 1 O5C13H16 A5B13C16 -207.2 2.81 -9.03 0.1 0
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150338 53790026 1 O5C13H16 A5B13C16 -206.48 2.56 -8.96 0.14 0
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150339 53790027 1 O2N5C13H13 A2B5C13D13 18.49 3.96 -9.48 -1.2 0
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150340 53790028 1 OCl2H2C3 AB2C2D3 -6.03 3.36 -11.13 -0.61 -1
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150341 53790029 1 NSO2C12H12 ABC2D12E12 -20.55 3.08 0.0 0.0 0
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150342 53790030 1 NSO2C12H13 ABC2D12E13 -41.85 2.43 -8.45 -0.57 0
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150343 53790031 1 BrPF2N3O3C36H39 ABC2D3E3F36G39 -190.27 4.24 -9.22 -0.61 0
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150344 53790032 1 N3O5C25H29 A3B5C25D29 -155.0 6.41 -8.44 -0.76 0
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150345 53790033 1 OF3N8H9C20 AB3C8D9E20 82.35 3.99 -9.22 -2.02 0
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150346 53790034 1 O2C7H16 A2B7C16 -118.25 2.15 -9.56 2.32 0
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150347 53790035 1 SN2O6C22H34 AB2C6D22E34 -271.56 8.15 -9.04 -0.75 0
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150348 53790036 1 ClOC14H15 ABC14D15 -36.24 3.85 -9.62 -0.09 0
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150349 53790037 1 ClOSN2C14H15 ABCD2E14F15 5.8 2.16 -9.04 -0.38 0
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150350 53790038 1 NO6C12H13 AB6C12D13 -135.15 2.87 -9.66 -1.42 0
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150351 53790039 1 NO3H9C12 AB3C9D12 -35.46 6.24 -9.7 -1.15 0
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150352 53790040 1 N2O2C15H16 A2B2C15D16 -30.14 1.27 -9.26 -0.99 0
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150353 53790041 1 NO5C21H29 AB5C21D29 -193.29 4.18 -8.34 0.22 0
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150354 53790042 1 NSO2C25H31 ABC2D25E31 -43.03 3.85 -8.57 -0.31 0
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150355 53790043 1 N5O12C25H43 A5B12C25D43 -566.54 8.39 -9.87 -0.29 0
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150356 53790044 1 FIN2O7H18C23 ABC2D7E18F23 -257.65 7.37 -9.76 -1.62 0
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150357 53790045 1 O3N4C23H30 A3B4C23D30 -92.9 6.89 -8.8 -0.67 0
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150358 53790046 1 NC18H37 AB18C37 -73.32 1.65 -8.77 3.26 0
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150359 53790047 2 NO6C13H20 AB6C13D20 -515.43 7.65 -9.94 -0.77 0
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150360 53790048 1 NO3H15C16 AB3C15D16 -50.15 2.55 -8.98 -0.23 0
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150361 53790050 1 SN2O2C19H22 AB2C2D19E22 38.84 5.11 -9.19 -1.53 0
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150362 53790051 1 O7C14H26 A7B14C26 -330.0 2.34 -10.09 -1.11 0
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150363 53790052 1 O7C14H26 A7B14C26 -317.92 2.33 -9.87 -1.13 0
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150364 53790053 1 NO4H19C21 AB4C19D21 -17.56 4.27 -9.59 -0.86 0
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150365 53790054 1 NO2C11H13 AB2C11D13 7.93 5.18 -9.26 -0.99 0
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150366 53790055 1 ClBr2O2C20H23 AB2C2D20E23 -62.86 3.82 -9.36 -0.59 0
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150367 53790056 1 ClBr2O2C20H23 AB2C2D20E23 -62.86 3.13 -9.39 -0.58 0
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150368 53790057 1 O2N5C26H27 A2B5C26D27 63.59 3.26 -8.26 -0.74 0
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150369 53790058 1 NO6C14H15 AB6C14D15 -123.59 9.03 -9.63 -1.45 0
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150370 53790059 2 O5H13C14 A5B13C14 -357.39 7.29 -11.16 -2.4 0
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150371 53790060 2 NO3C6H8 AB3C6D8 -248.98 9.08 -9.1 -0.77 0
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150372 53790061 1 SN4O8C19H28 AB4C8D19E28 -300.43 9.84 -9.1 -1.15 0
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150373 53790062 1 OC16H26 AB16C26 -59.49 3.86 -8.89 0.42 0
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150374 53790063 1 SN3O5C28H35 AB3C5D28E35 -193.38 1.82 -8.44 -0.37 0
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150375 53790064 1 NO5C16H17 AB5C16D17 -98.96 2.68 -9.4 -0.95 0
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150376 53790065 1 FO2C33H43 AB2C33D43 -121.62 1.36 -8.47 -0.36 0
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150377 53790066 1 ClNO3C23H26 ABC3D23E26 -100.28 3.33 -8.21 -0.38 0
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150379 53790068 1 SN3O4C14H15 AB3C4D14E15 -106.94 4.86 -9.02 -1.56 0
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150380 53790069 1 N3S3O6C18H29 A3B3C6D18E29 -192.95 1.94 -8.57 -0.28 0
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150381 53790070 1 NF3O4H24C27 AB3C4D24E27 -237.9 4.18 -9.22 -0.68 0
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150382 53790071 1 BN3C8H16 AB3C8D16 -19.14 3.45 -8.09 1.3 0