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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396249 135027868 1 SCl2N2C20H20 AB2C2D20E20 53.45 4.17 -8.06 -0.39 0
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396250 135027869 3 OH6C7 AB6C7 -54.43 1.36 -8.65 -0.12 0
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396251 135027872 1 ClSiH20C21 ABC20D21 75.63 1.32 0.0 0.0 1
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396252 135027873 1 IrPN2C29H33 ABC2D29E33 221.71 20.41 0.0 0.0 0
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396253 135027874 2 NO2C12H17 AB2C12D17 -162.34 4.34 -8.69 0.54 0
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396254 135027875 1 NSO6C17H21 ABC6D17E21 -212.84 7.9 -10.03 -0.9 0
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396255 135027876 1 O6H14C19 A6B14C19 -148.21 4.91 -9.27 -0.62 0
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396256 135027877 1 SO3C5H8 AB3C5D8 -117.22 3.89 -8.95 -1.28 1
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396257 135027878 1 ON5C8H12 AB5C8D12 23.22 1.8 0.0 0.0 0
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396259 135027881 1 PN2O5C21H35 AB2C5D21E35 -293.28 3.6 -9.01 0.18 0
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396260 135027882 1 O3C16H18 A3B16C18 -95.93 3.07 -8.41 -0.78 0
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396261 135027883 2 OC4H6 AB4C6 -55.42 1.66 -10.9 0.67 0
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396262 135027884 1 N3H21C23 A3B21C23 123.47 4.89 -8.93 -0.32 0
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396263 135027885 1 N3C18H25 A3B18C25 36.72 5.31 -9.51 -0.17 0
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396264 135027886 1 O4C13H18 A4B13C18 -139.31 2.77 -9.36 0.31 0
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396265 135027888 1 NO2C14H17 AB2C14D17 -41.87 4.98 -8.71 -0.14 0
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396266 135027889 1 O7H20C26 A7B20C26 -173.83 7.57 -8.99 -0.96 0
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396267 135027890 2 O4H10C13 A4B10C13 -215.13 9.31 -9.03 -1.22 0
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396268 135027891 2 O3H10C13 A3B10C13 -138.51 8.22 -8.3 -0.96 0
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396269 135027893 1 NO8H17C21 AB8C17D21 -189.33 6.96 -8.86 -1.32 0
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396270 135027895 1 NOF3H14C17 ABC3D14E17 -102.08 2.54 -8.89 -1.11 0
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396271 135027896 1 O2N3H21C24 A2B3C21D24 2.16 2.14 -8.78 -1.02 0
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396272 135027897 1 ClO2C12H19 AB2C12D19 -122.8 6.57 -9.71 0.73 0
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396273 135027899 1 NO2C25H27 AB2C25D27 -7.16 7.65 -8.33 -0.13 -1
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396274 135027900 1 O2C14H15 A2B14C15 -37.22 7.01 0.0 0.0 0
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396275 135027901 2 OC7H8 AB7C8 -53.63 4.76 -8.0 0.14 0
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396277 135027905 1 IO2C8H11 AB2C8D11 -81.77 3.9 -10.14 -1.36 0
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396278 135027906 1 O2C29H34 A2B29C34 -31.02 2.84 -8.6 -0.33 0
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396279 135027907 1 O2C25H26 A2B25C26 -19.95 3.53 -8.41 -0.06 0
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396280 135027910 1 O2C25H26 A2B25C26 -7.15 2.08 -8.79 -0.3 0
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396281 135027912 1 ClO2H17C21 AB2C17D21 5.12 2.55 -9.01 -0.63 0
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396282 135027915 1 IN2O3H15C18 AB2C3D15E18 -59.22 7.08 -8.87 -1.27 0
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396284 135027919 1 N7O10C46H65 A7B10C46D65 -443.62 5.65 -8.35 0.04 0
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396285 135027922 1 N6H12C13 A6B12C13 106.35 2.68 -8.84 -1.07 0
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396286 135027925 1 NO3C22H29 AB3C22D29 -131.79 1.76 -9.02 -0.03 0
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396287 135027930 1 N2O2C17H18 A2B2C17D18 8.02 0.35 -7.74 0.13 0
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396288 135027933 1 NOC17H21 ABC17D21 23.25 3.39 -8.67 0.04 0
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396289 135027937 1 SN3O3H15C22 AB3C3D15E22 46.21 5.7 -8.58 -1.16 0
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396290 135027941 1 NOC22H25 ABC22D25 -1.22 2.72 -8.74 -0.03 0
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396291 135027956 1 NSO5C15H21 ABC5D15E21 -203.32 5.49 -9.18 -0.62 0
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396292 135027957 1 NSO5C15H21 ABC5D15E21 -204.61 6.0 -9.65 -0.72 0
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396293 135027969 1 NO5H23C29 AB5C23D29 -105.38 7.73 -8.8 -1.08 0
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396294 135027987 1 O4H16C19 A4B16C19 -98.74 3.36 -9.25 -0.81 0
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396295 135028004 1 NO4H19C21 AB4C19D21 -106.02 7.29 -8.66 -0.38 0
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396296 135028013 1 O5C18H22 A5B18C22 -159.99 4.96 -8.26 -0.14 0
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396297 135028014 1 NO3C17H17 AB3C17D17 -76.62 4.86 -9.56 -0.47 0
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396298 135028017 1 N2S2O3C26H28 A2B2C3D26E28 -40.93 6.2 -8.34 -0.66 1
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396299 135028018 1 O2C4H7 A2B4C7 -66.57 2.54 0.0 0.0 0
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396300 135028022 2 O2H9C11 A2B9C11 -48.83 1.15 -8.56 -0.62 0
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396301 135028032 1 N3O8C13H19 A3B8C13D19 -304.18 5.12 -9.86 -0.73 0
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396302 135028035 1 N3O5C11H15 A3B5C11D15 -188.53 4.29 -9.88 -0.72 0
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396303 135028036 1 N2O5C10H14 A2B5C10D14 -225.94 2.67 -10.47 -0.27 0
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396304 135028037 1 N2Si2O8C23H42 A2B2C8D23E42 -518.15 7.4 -9.26 -0.35 0
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396305 135028038 1 SN2Si2Cl3O11C43H71 AB2C2D3E11F43G71 -547.7 9.19 -8.41 -0.5 0
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396306 135028039 1 N2Si2Cl3O11C41H67 A2B2C3D11E41F67 -612.66 3.74 -8.99 -0.77 0
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396307 135028042 2 SiN2O7C25H43 AB2C7D25E43 -763.14 7.8 -8.85 -0.2 0
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396308 135028043 1 SN3H11C16 AB3C11D16 108.62 3.06 -9.01 -1.52 0
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396309 135028044 1 O4H14C17 A4B14C17 -99.0 4.26 -8.65 -0.53 0
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396310 135028045 2 O2H8C9 A2B8C9 -76.72 3.48 -8.5 -0.31 0
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396311 135028046 1 ClO3H11C18 AB3C11D18 -40.02 4.59 -9.26 -1.28 0
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396312 135028047 1 BrO3H11C18 AB3C11D18 -28.37 4.55 -9.28 -1.29 0
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396313 135028048 1 ClO3H13C19 AB3C13D19 -51.4 4.96 -9.2 -1.19 0
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396314 135028049 1 O4H14C19 A4B14C19 -88.62 5.47 -9.13 -0.99 0
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396315 135028050 1 Cl2N3O4H17C21 A2B3C4D17E21 -54.46 4.81 -9.42 -1.43 0
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396317 135028052 1 O3C12H22 A3B12C22 -156.34 1.4 -9.94 1.09 0
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396318 135028053 1 C17H18 A17B18 140.79 1.09 -8.35 -0.53 0
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396319 135028054 1 SiN2O5C14H28 AB2C5D14E28 -218.47 2.74 -9.01 -0.09 0
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396320 135028055 1 N2O5C8H14 A2B5C8D14 -149.87 1.87 -9.68 -0.33 0
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396321 135028059 1 NOSSiC18H29 ABCDE18F29 -67.05 4.16 -8.64 -0.35 0
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396322 135028060 1 NOSSiC18H29 ABCDE18F29 -68.39 4.69 -8.66 -0.32 0
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396323 135028061 1 FOC16H19 ABC16D19 -67.4 2.26 -8.67 -0.5 0
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396324 135028063 1 NO5H27C28 AB5C27D28 -154.08 3.85 -9.53 -0.14 0
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396325 135028064 3 OC6H6 AB6C6 -78.38 2.67 -9.34 0.07 0
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396326 135028065 1 O3C18H20 A3B18C20 -99.62 3.4 -9.59 -0.13 0
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396327 135028066 1 O6C25H26 A6B25C26 -174.7 6.92 -8.59 -1.13 0
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396328 135028067 1 O4H22C23 A4B22C23 -100.23 7.47 -8.9 -1.21 0
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396329 135028068 1 OSN3H25C26 ABC3D25E26 63.19 5.11 -8.37 -0.74 0
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396330 135028069 2 OC6H7 AB6C7 -75.18 5.32 -9.61 0.12 0
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396331 135028070 1 O2C9H14 A2B9C14 -107.23 4.09 -9.87 0.53 0
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396332 135028071 1 O4C13H18 A4B13C18 -125.66 4.12 -9.21 -0.76 0
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396333 135028072 1 O2N5C15H19 A2B5C15D19 14.85 3.92 -9.18 -1.12 0
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396336 135028078 1 NCl2O2H23C29 AB2C2D23E29 7.15 3.51 -8.59 -0.44 0
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396337 135028081 1 N2C15H18 A2B15C18 32.37 4.07 -8.66 -0.15 0
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396338 135028094 1 N2O3S3C22H26 A2B3C3D22E26 -45.15 3.78 -8.76 -0.23 0
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396339 135028096 2 ON2H7C8 AB2C7D8 15.25 2.45 -9.2 -0.98 -1
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396340 135028103 1 NSC8H16 ABC8D16 20.35 2.22 0.0 0.0 0
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396341 135028104 1 NSC8H17 ABC8D17 -11.94 2.32 -8.82 0.41 0
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396342 135028105 2 O2C9H13 A2B9C13 -165.22 2.48 -9.91 0.46 0
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396343 135028106 4 OC5H6 AB5C6 -132.72 1.32 -9.3 0.36 0
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396344 135028114 2 O4C11H11 A4B11C11 -246.27 5.42 -8.8 -0.46 0
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396345 135028115 1 O8H20C25 A8B20C25 -247.34 5.56 -9.06 -0.57 0
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396346 135028118 1 N2O5C23H28 A2B5C23D28 -123.18 6.31 -8.52 -0.3 0
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396347 135028123 1 NSO2C12H13 ABC2D12E13 -35.97 3.77 -9.94 -0.31 0
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396348 135028129 1 SeN2O5C11H14 AB2C5D11E14 -202.19 3.63 -9.18 -0.76 0
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396349 135028137 2 OH11C12 AB11C12 -31.65 2.27 -9.23 -0.38 0
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396350 135028140 1 N4H28C35 A4B28C35 159.72 5.64 -8.39 -0.68 0
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396351 135028142 1 PO6N7C13H16 AB6C7D13E16 -212.66 1.5 -9.29 -0.8 0
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396352 135028143 1 O2N3H23C27 A2B3C23D27 99.33 4.99 -9.22 -0.76 0
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396353 135028155 1 SiN2O4C30H34 AB2C4D30E34 -112.7 2.85 -8.36 -0.69 0
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396354 135028184 1 PdO2C12H12 AB2C12D12 100.05 1.1 -7.41 -1.6 0