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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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383264 134974889 1 O4C13H14 A4B13C14 -136.44 3.64 -9.85 -0.44 0
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383265 134974890 1 N2O3C22H26 A2B3C22D26 -118.61 3.92 -9.51 -0.28 0
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383266 134974892 1 O3C23H30 A3B23C30 -129.48 2.7 -9.25 0.43 0
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383267 134974893 1 OSC18H20 ABC18D20 -3.91 1.45 -8.42 -0.31 0
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383268 134974894 1 NOC20H23 ABC20D23 -4.84 2.11 -8.78 -0.47 0
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383269 134974895 1 O5C17H22 A5B17C22 -183.97 4.18 -9.02 -0.63 0
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383270 134974897 1 NOC15H19 ABC15D19 -21.55 1.94 -8.15 0.2 0
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383272 134974900 1 N2C19H22 A2B19C22 48.69 3.07 -8.72 0.18 0
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383273 134974901 1 N2O2C23H38 A2B2C23D38 -89.12 2.14 -7.98 0.44 0
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383274 134974902 1 N2O2C27H38 A2B2C27D38 -48.98 2.51 -8.62 0.28 0
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383275 134974903 2 C13H18 A13B18 -28.2 0.81 -8.58 0.82 0
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383276 134974908 1 NSiO5C28H41 ABC5D28E41 -274.14 1.94 -9.15 -0.07 0
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383277 134974909 4 NOC4H6 ABC4D6 -143.91 3.62 -9.47 0.26 0
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383278 134974910 4 NOC4H6 ABC4D6 -143.98 3.99 -9.51 0.22 0
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383279 134974912 1 SiO5C17H36 AB5C17D36 -305.1 1.75 -9.9 1.01 0
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383280 134974914 2 NC6H11 AB6C11 -12.51 1.84 -8.25 2.86 0
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383281 134974915 1 ClN2S2O3C27H45 AB2C2D3E27F45 -174.89 6.38 -9.06 -0.69 0
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383282 134974917 1 SiSnO4C30H60 ABC4D30E60 -285.12 3.62 -8.49 0.44 0
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383283 134974918 1 SnSi2O3C29H62 AB2C3D29E62 -293.16 2.24 -8.63 0.58 0
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383284 134974919 1 SiSnO2C33H50 ABC2D33E50 -98.27 2.73 -8.92 0.19 0
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383285 134974920 1 SnSi2O3C49H70 AB2C3D49E70 -165.73 2.8 -8.93 0.13 0
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383286 134974922 1 SnSi3O4C39H84 AB3C4D39E84 -416.94 2.07 -8.67 0.52 0
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383288 134974925 1 O3C20H22 A3B20C22 -118.76 3.29 -8.9 -0.71 0
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383289 134974926 1 O4C15H18 A4B15C18 -154.85 3.12 -9.16 -0.38 0
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383290 134974927 1 N2O8C25H46 A2B8C25D46 -433.39 2.41 -9.21 0.68 0
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383291 134974928 1 SN2O20C36H50 AB2C20D36E50 -938.34 5.23 -9.65 -0.16 0
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383292 134974929 2 C12H25 A12B25 -124.36 0.08 -10.53 3.92 0
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383293 134974930 1 O2C17H26 A2B17C26 -83.7 0.99 -9.36 0.33 0
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383294 134974932 1 O7C19H34 A7B19C34 -372.38 4.0 -9.97 0.88 0
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383295 134974933 1 Si2O4C33H52 A2B4C33D52 -280.88 3.07 -8.97 -0.16 0
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383296 134974934 2 O2C9H12 A2B9C12 -172.18 4.31 -9.8 -0.04 0
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383297 134974935 1 Si2O5C38H60 A2B5C38D60 -322.55 3.9 -8.83 0.3 0
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383299 134974937 1 NPSO3C9H20 ABCD3E9F20 -174.29 2.8 -8.42 0.13 0
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383300 134974938 1 O2N3S4C21H27 A2B3C4D21E27 2.51 5.7 -9.25 -0.98 0
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383301 134974940 1 ClOC22H33 ABC22D33 -86.67 3.81 -8.37 0.45 0
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383302 134974944 1 SnO4C39H54 AB4C39D54 -111.1 2.35 -8.82 0.26 0
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383303 134974945 2 NC7H13 AB7C13 -18.85 2.32 -8.36 2.85 0
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383304 134974947 1 SN2O5C17H18 AB2C5D17E18 -186.28 5.87 -9.64 -0.98 0
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383305 134974948 1 O3N10C20H30 A3B10C20D30 118.53 1.81 -9.68 -0.32 0
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383306 134974949 1 N11C15H21 A11B15C21 346.12 11.48 -8.86 -0.39 1
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383307 134974950 1 ON3H24C30 AB3C24D30 85.51 2.54 0.0 0.0 0
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383308 134974951 1 N3H19C28 A3B19C28 150.33 2.85 -8.04 -0.82 0
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383309 134974952 1 N2C9H10 A2B9C10 93.88 3.61 -8.68 -0.06 -1
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383310 134974953 1 ON3H24C30 AB3C24D30 114.95 4.36 0.0 0.0 0
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383311 134974954 1 ON3H25C30 AB3C25D30 73.79 3.16 -8.13 -0.71 0
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383312 134974955 1 ON3C16H23 AB3C16D23 -31.93 3.29 -8.06 0.27 0
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383313 134974958 1 NO4C21H29 AB4C21D29 -190.56 4.32 -8.74 -0.2 -1
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383314 134974959 1 YC6H9 AB6C9 38.38 3.47 -5.45 0.02 0
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383315 134974960 1 ON3C15H20 AB3C15D20 15.17 3.71 0.0 0.0 0
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383316 134974962 1 O5C16H22 A5B16C22 -188.49 6.26 -8.59 -0.17 0
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383317 134974964 1 N3O6C13H21 A3B6C13D21 -214.64 3.22 -9.81 0.1 0
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383319 134974968 1 NSO6C14H21 ABC6D14E21 -264.46 6.23 -9.06 -0.2 0
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383321 134974971 3 OC3H4 AB3C4 -77.84 2.4 -9.95 0.06 0
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383322 134974979 2 NC11H14 AB11C14 38.88 2.79 -8.13 0.23 0
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383323 134974981 1 N2C21H26 A2B21C26 32.69 3.36 -8.48 0.18 0
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383324 134974984 1 N2O3C15H18 A2B3C15D18 -110.77 6.54 -9.56 0.0 0
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383325 134974986 1 N2O5C20H28 A2B5C20D28 -234.07 2.79 -9.48 0.11 0
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383326 134974990 1 INOC15H24 ABCD15E24 -53.98 5.36 -8.83 -0.65 0
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383327 134974992 2 C14H29 A14B29 -141.53 0.05 -10.24 3.96 0
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383328 134974993 1 O4C17H26 A4B17C26 -199.68 3.53 -9.46 0.12 0
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383329 134974996 1 N2O3C16H28 A2B3C16D28 -182.6 3.65 -9.46 0.27 2
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383330 134975001 1 RhP2S2O8C26H28 AB2C2D8E26F28 -304.93 34.6 0.0 0.0 0
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383331 134975002 1 PSO4C13H13 ABC4D13E13 -141.81 3.92 -8.91 -0.89 0
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383332 134975003 1 PSO4C13H13 ABC4D13E13 -142.57 1.5 -8.6 -0.6 0
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383333 134975004 1 NO3H15C20 AB3C15D20 -44.69 5.12 -8.74 -1.04 0
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383334 134975005 1 NO4H17C22 AB4C17D22 -85.84 3.14 -8.89 -1.0 0
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383335 134975006 1 NO4H19C22 AB4C19D22 -95.85 1.45 -8.96 -0.75 0
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383336 134975007 1 N2H18C21 A2B18C21 82.69 1.03 -8.23 -0.52 0
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383337 134975008 1 ON2H14C18 AB2C14D18 76.8 2.51 -9.18 -0.82 0
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383338 134975009 1 PN2O5C15H23 AB2C5D15E23 -238.95 5.21 -9.28 -0.46 0
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383339 134975010 1 PSN2O4C15H23 ABC2D4E15F23 -202.07 2.91 -8.88 -0.17 0
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383340 134975011 2 ON2C8H11 AB2C8D11 -41.18 6.0 -8.87 -0.56 0
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383341 134975012 2 N2O5C21H31 A2B5C21D31 -485.25 8.38 -8.86 -1.16 2
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383342 134975013 1 N4O4C27H40 A4B4C27D40 -142.42 11.25 -8.06 -0.72 0
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383343 134975014 1 N4O4C27H38 A4B4C27D38 -132.41 7.41 -8.94 -1.21 0
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383344 134975015 1 O5C10H12 A5B10C12 -181.05 5.14 -10.31 0.44 0
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383345 134975016 1 SN2O2H18C19 AB2C2D18E19 1.4 5.31 -8.2 -0.54 0
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383346 134975019 1 SN2O2C21H22 AB2C2D21E22 -26.97 6.9 -8.68 -0.31 0
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383347 134975021 2 OSC9H13 ABC9D13 -75.37 1.02 -8.01 0.22 0
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383348 134975022 2 NO2C12H19 AB2C12D19 -191.87 1.67 -8.75 0.45 0
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383349 134975023 1 ClNS2O3C21H32 ABC2D3E21F32 -136.32 5.96 -9.02 -0.66 0
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383350 134975024 1 ClNSC10H18 ABCD10E18 -35.2 2.38 -8.49 0.18 0
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383351 134975025 2 NC5H10 AB5C10 -10.37 2.83 -8.02 2.8 0
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383352 134975026 1 N2H22C25 A2B22C25 85.94 2.95 -8.05 0.15 2
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383354 134975028 1 C17H24 A17B24 -16.18 0.24 -8.06 0.49 0
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383355 134975029 2 SO3C11H13 AB3C11D13 -232.04 1.22 -8.91 -1.5 0
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383356 134975033 1 O3C22H30 A3B22C30 -99.95 0.98 -9.03 -1.02 0
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383357 134975035 1 NO3H17C18 AB3C17D18 -42.07 1.84 -9.13 -0.38 0
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383358 134975039 1 O3H28C30 A3B28C30 8.3 4.01 -8.03 -0.63 0
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383359 134975040 1 ON2C14H28 AB2C14D28 -64.69 3.23 -8.08 2.46 0
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383360 134975044 15 CH2 AB2 -59.85 0.43 -9.17 1.49 0
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383361 134975045 1 NSO3H15C17 ABC3D15E17 -44.09 7.32 -8.92 -0.47 0
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383362 134975046 1 NSO5C20H23 ABC5D20E23 -110.59 6.19 -9.72 -0.74 0
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383363 134975048 1 INF3O3H15C18 ABC3D3E15F18 -195.46 6.21 -9.29 -1.45 0
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383366 134975052 1 O7C25H36 A7B25C36 -281.65 1.98 -8.76 0.05 0
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383367 134975054 1 O5C12H14 A5B12C14 -164.3 3.54 -10.21 -0.27 0
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383368 134975055 1 NO5C13H21 AB5C13D21 -209.13 3.29 -9.86 0.85 0
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383369 134975056 1 NOH25C27 ABC25D27 35.33 3.28 -8.08 -0.37 0
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383370 134975057 1 O3C42H52 A3B42C52 -74.99 0.42 -7.98 0.12 0
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383371 134975058 1 N3O3C17H19 A3B3C17D19 -81.4 1.21 -8.43 -0.56 0