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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381240 134971909 3 NOH4C5 ABC4D5 12.87 5.88 0.0 0.0 0
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381241 134971910 1 N3O3H11C15 A3B3C11D15 16.75 8.39 -9.19 -1.07 0
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381242 134971912 1 N3O5C29H31 A3B5C29D31 -124.4 1.37 -8.8 -0.75 0
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381243 134971915 1 PSiN4O7C19H31 ABC4D7E19F31 -400.7 7.62 -9.34 -0.24 0
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381244 134971918 2 O3C21H23 A3B21C23 -169.28 1.58 -9.38 -0.11 0
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381245 134971919 1 Cl2O2H28C31 A2B2C28D31 -16.81 2.16 -9.41 -0.26 0
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381246 134971920 1 NS2O5C12H21 AB2C5D12E21 -212.45 7.52 -8.82 -0.14 0
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381247 134971922 1 OC13H26 AB13C26 -86.35 2.28 -9.67 1.25 0
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381248 134971924 1 O2H28C31 A2B28C31 -6.78 0.37 -8.33 -0.52 0
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381249 134971925 1 O4H44C65 A4B44C65 63.57 1.72 -8.28 -1.44 0
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381250 134971926 1 BrSO3N4C18H23 ABC3D4E18F23 -110.08 1.92 -9.37 -1.44 0
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381251 134971931 1 N2O3C20H22 A2B3C20D22 -67.84 1.15 -8.54 -0.06 0
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381252 134971932 1 N3O5C19H19 A3B5C19D19 -71.01 7.28 -8.25 -1.22 0
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381253 134971934 1 N2O5C21H22 A2B5C21D22 -150.19 5.36 -8.24 -0.58 0
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381254 134971935 1 NSiO5C19H29 ABC5D19E29 -237.88 3.22 -9.09 0.03 0
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381255 134971936 1 N2O6C15H28 A2B6C15D28 -309.7 4.18 -9.75 0.47 0
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381256 134971937 1 N3O8C25H33 A3B8C25D33 -263.83 4.98 -9.59 -0.11 0
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381257 134971939 1 N2O7C15H26 A2B7C15D26 -345.47 3.75 -10.0 -0.02 0
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381258 134971940 1 NO9C33H49 AB9C33D49 -417.36 5.11 -9.61 -0.47 0
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381259 134971941 1 NO9C36H55 AB9C36D55 -426.58 3.93 -9.23 0.24 0
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381260 134971942 1 NO3C18H21 AB3C18D21 -30.55 0.83 -9.43 0.18 0
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381261 134971943 1 NO3C21H27 AB3C21D27 -35.12 0.72 -9.36 0.22 1
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381262 134971944 1 N3C12H20 A3B12C20 36.59 2.41 0.0 0.0 0
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381263 134971945 1 NO3C24H31 AB3C24D31 -80.72 2.54 -9.03 0.16 0
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381264 134971948 1 NO4C18H29 AB4C18D29 -214.7 3.23 -9.69 -0.06 1
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381265 134971949 1 BSiO4C13H30 ABC4D13E30 -263.64 3.06 0.0 0.0 0
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381266 134971950 1 BSiO4C13H29 ABC4D13E29 -306.88 1.67 -8.79 0.44 0
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381267 134971951 1 BCl2C8H11 AB2C8D11 -30.9 1.71 -9.37 -0.49 0
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381268 134971952 1 BCl2C8H11 AB2C8D11 -29.13 2.51 -9.52 -0.33 0
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381269 134971953 1 N2O3H24C25 A2B3C24D25 -38.53 2.14 -7.91 -0.17 0
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381270 134971954 1 BrN2O2C20H21 AB2C2D20E21 -31.66 4.42 -8.71 -0.31 0
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381271 134971955 1 BrN2O2C20H21 AB2C2D20E21 -30.99 4.5 -8.76 -0.42 0
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381272 134971956 1 N3O4C20H21 A3B4C20D21 -40.64 8.35 -9.16 -1.04 0
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381274 134971958 1 O2F3C14H21 A2B3C14D21 -275.58 3.68 -9.93 0.5 0
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381275 134971959 1 Br2O5C10H12 A2B5C10D12 -171.11 3.13 -9.98 -1.35 0
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381276 134971960 1 BrNO5C12H16 ABC5D12E16 -161.89 2.85 -9.55 -0.3 0
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381277 134971962 1 N5O5C32H45 A5B5C32D45 -215.99 8.04 -8.58 -0.1 0
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381278 134971963 1 RuC4O4H12 AB4C4D12 13.0 1.23 -6.89 -3.01 0
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381279 134971964 1 BrO2N4H7C9 AB2C4D7E9 45.48 4.26 -10.04 -1.2 0
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381280 134971965 1 Si3O4C31H50 A3B4C31D50 -312.67 2.52 -9.1 -0.01 -1
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381281 134971966 1 C9H17 A9B17 0.33 1.04 0.0 0.0 -1
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381282 134971967 1 C10H19 A10B19 -4.19 0.94 0.0 0.0 0
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381283 134971968 1 SO3C9H18 AB3C9D18 -148.36 3.34 -9.24 0.25 0
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381284 134971969 1 BrO2C19H23 AB2C19D23 -28.65 3.33 -8.88 -1.03 0
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381285 134971970 1 NO6C19H35 AB6C19D35 -324.89 4.93 -9.65 0.41 0
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381287 134971972 1 N4O7C25H40 A4B7C25D40 -343.7 3.83 -9.89 -0.45 0
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381288 134971973 2 OC5H6 AB5C6 -29.88 3.89 -10.68 -0.46 0
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381289 134971975 1 OC11H13 AB11C13 28.12 2.38 0.0 0.0 0
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381290 134971976 1 FeOC20H26 ABC20D26 201.41 13.37 -6.45 -3.19 0
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381291 134971977 1 OC15H21 AB15C21 19.92 2.34 0.0 0.0 0
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381292 134971979 1 OC17H17 AB17C17 53.96 2.15 0.0 0.0 0
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381293 134971980 1 FeOH18C20 ABC18D20 135.17 19.57 -6.18 -2.24 0
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381295 134971983 1 FeOH18C23 ABC18D23 180.34 4.06 -8.34 -0.62 0
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381296 134971984 1 OH13C18 AB13C18 77.97 3.37 0.0 0.0 0
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381297 134971987 1 OH13C15 AB13C15 50.77 3.71 0.0 0.0 0
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381298 134971988 1 FeO2H18C20 AB2C18D20 197.57 21.16 -5.27 -2.48 0
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381299 134971989 1 O2H13C15 A2B13C15 16.72 4.85 0.0 0.0 0
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381300 134971990 1 FeO3H16C20 AB3C16D20 10.42 2.25 -8.84 -1.05 0
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381301 134971991 1 ClFeOH15C19 ABCD15E19 174.16 5.47 -7.82 -0.47 0
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381303 134971993 1 ClOH10C14 ABC10D14 51.14 3.73 0.0 0.0 0
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381304 134971996 1 NOC18H20 ABC18D20 41.57 6.05 0.0 0.0 0
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381305 134971998 1 ClO2N4H7C9 AB2C4D7E9 32.47 4.13 -9.58 -1.49 0
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381306 134971999 1 SN2O4C19H24 AB2C4D19E24 -5.07 4.51 -8.34 -0.62 0
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381307 134972000 1 O3C16H18 A3B16C18 -104.26 1.71 -8.46 -0.52 0
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381308 134972001 1 N2O4C9H10 A2B4C9D10 -108.39 1.72 -9.85 -0.62 0
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381309 134972002 1 ClNOC8H16 ABCD8E16 -102.68 5.18 -9.44 0.97 0
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381311 134972006 1 O4C13H16 A4B13C16 -144.5 4.18 -10.17 -0.73 0
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381312 134972007 1 S2N6O8C23H34 A2B6C8D23E34 -122.29 5.22 -9.11 -2.23 0
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381313 134972008 1 S2N7O10C37H51 A2B7C10D37E51 -218.87 6.96 -8.9 -2.16 0
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381314 134972009 1 S2N6O8C23H34 A2B6C8D23E34 -124.16 4.76 -9.01 -2.18 0
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381315 134972010 1 O2N5C24H43 A2B5C24D43 -113.35 3.84 -9.06 0.32 0
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381316 134972012 1 OPN2H25C27 ABC2D25E27 61.23 8.37 -8.07 -0.25 0
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381317 134972013 1 SO2C14H18 AB2C14D18 -67.95 3.94 -9.32 -0.09 0
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381318 134972014 1 Cl2O2N4H6C9 A2B2C4D6E9 28.28 2.75 -9.54 -1.71 0
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381319 134972015 1 ClO3N4H9C10 AB3C4D9E10 -7.79 2.58 -9.56 -1.29 0
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381320 134972017 1 N3O5H11C12 A3B5C11D12 -105.4 3.1 -9.6 -0.89 0
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381321 134972018 1 OC9H16 AB9C16 -69.76 2.14 -8.88 1.55 0
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381322 134972020 1 NSC22H23 ABC22D23 75.01 2.72 -8.72 0.16 0
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381323 134972021 1 NSC22H23 ABC22D23 73.49 1.08 -9.04 -0.06 0
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381324 134972024 1 NOC26H35 ABC26D35 -22.21 2.42 -8.8 0.41 0
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381325 134972025 1 NOC14H25 ABC14D25 -71.13 2.36 -8.78 2.63 0
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381330 134972034 1 FOC9H15 ABC9D15 -119.83 4.89 -9.95 0.5 0
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381331 134972035 2 HC3Se3 AB3C3 106.88 4.29 -8.05 -3.14 0
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381332 134972036 1 BrFeO3H17C21 ABC3D17E21 66.21 4.19 -9.05 -1.21 0
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381334 134972038 1 O4N5C10H13 A4B5C10D13 -108.78 2.54 -9.15 -0.59 0
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381335 134972039 1 NO2C30H35 AB2C30D35 -45.11 4.07 -9.02 -0.27 0
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381336 134972040 1 O2C19H20 A2B19C20 42.68 1.4 -8.85 0.12 0
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381337 134972041 1 ClOH13C14 ABC13D14 -1.91 4.13 -8.45 -0.62 0
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381338 134972043 1 AlNC19H26 ABC19D26 -7.78 1.63 -8.21 0.17 1
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381339 134972044 1 NSO3C8H12 ABC3D8E12 -97.39 4.17 0.0 0.0 0
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381340 134972045 1 NSC20H25 ABC20D25 36.32 2.42 -8.7 0.17 0
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381341 134972046 1 NSO3C20H25 ABC3D20E25 -90.95 3.3 -9.05 0.02 -1
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381342 134972047 1 OPH18C20 ABC18D20 56.44 1.29 0.0 0.0 0
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381343 134972049 1 BrN2O2C13H27 AB2C2D13E27 -138.54 4.15 -8.91 0.16 0
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381344 134972050 1 SSiN2O7C22H40 ABC2D7E22F40 -326.55 7.62 -8.37 0.05 0
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381345 134972051 1 SO6C29H32 AB6C29D32 -181.73 0.32 -9.25 0.02 0
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381346 134972053 1 SO2N3C16H17 AB2C3D16E17 7.61 4.43 -7.98 -0.46 0
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381347 134972055 1 NO4C21H21 AB4C21D21 -103.35 3.23 -8.7 -0.59 0
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381348 134972057 1 ClPN3O4C20H21 ABC3D4E20F21 -151.47 7.7 -8.99 -0.67 0
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381349 134972059 1 NO4C21H27 AB4C21D27 -51.06 6.13 -9.86 -1.4 0