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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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337243 127256808 1 SO4N6C15H26 AB4C6D15E26 -49.3 7.23 -8.11 -1.43 0
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337244 127256809 1 NO4C15H19 AB4C15D19 -139.87 6.23 -8.97 -0.54 0
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337245 127256810 1 O4C13H14 A4B13C14 -122.09 4.29 -8.34 -0.32 0
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337246 127256811 1 BrNF3O4H9C16 ABC3D4E9F16 -193.25 6.39 -10.15 -1.72 0
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337247 127256812 1 ClIN2S2O4H24C25 ABC2D2E4F24G25 -118.55 10.02 -8.26 -1.61 1
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337248 127256813 1 ClN2S2O4H24C25 AB2C2D4E24F25 -111.19 1.47 0.0 0.0 0
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337249 127256814 1 F3N3O6C20H22 A3B3C6D20E22 -329.97 4.98 -8.89 -1.64 0
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337250 127256815 2 NOSC12H14 ABCD12E14 -39.35 1.5 -8.06 -0.25 0
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337251 127256816 1 IBr2O3H9C15 AB2C3D9E15 -41.65 3.59 -9.65 -1.24 0
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337252 127256817 1 Br2O3H10C15 A2B3C10D15 -58.59 4.52 -9.57 -0.91 0
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337253 127256818 1 ICl2O3H9C15 AB2C3D9E15 -64.59 3.38 -9.56 -1.25 0
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337254 127256819 1 NSO4C23H31 ABC4D23E31 -133.1 3.04 -8.55 0.11 0
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337255 127256820 1 OCl2N2H6C9 AB2C2D6E9 24.4 7.31 -8.67 -1.6 0
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337256 127256821 1 NO6C16H19 AB6C16D19 -148.88 3.86 -8.87 -1.4 0
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337257 127256822 1 NO6C15H17 AB6C15D17 -139.94 3.39 -8.9 -1.39 0
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337258 127256823 1 IN2O2C16H31 AB2C2D16E31 -111.63 2.76 -8.24 -0.83 0
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337259 127256941 1 O3H16C17 A3B16C17 -63.47 3.3 -9.45 -0.8 0
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337260 127256942 1 OSF3N3H8C11 ABC3D3E8F11 -110.01 4.09 -9.58 -1.68 0
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337261 127256943 1 BrNO2C13H18 ABC2D13E18 -95.5 2.67 -9.02 -0.65 0
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337262 127256944 1 NO4C14H19 AB4C14D19 -101.39 5.21 -10.4 -1.59 0
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337263 127256945 2 OC7H10 AB7C10 -98.53 2.94 -9.63 -0.4 0
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337264 127256946 1 NO4C15H21 AB4C15D21 -109.23 4.39 -10.06 -1.38 0
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337265 127256947 1 NO3C13H17 AB3C13D17 -64.36 4.78 -9.02 -0.09 0
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337266 127256948 1 N2O3C8H14 A2B3C8D14 -132.96 6.95 -9.01 -0.09 0
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337267 127256949 1 NH33C46 AB33C46 165.41 1.47 -7.82 -1.2 0
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337268 127256950 1 OH20C27 AB20C27 77.5 3.2 -9.24 -0.75 0
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337269 127256951 1 ON2C19H26 AB2C19D26 -24.0 2.62 -8.95 -0.6 0
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337270 127256952 1 NO3C21H21 AB3C21D21 -75.56 6.89 -9.29 -0.74 0
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337271 127256953 1 BrNO2C11H20 ABC2D11E20 -123.12 3.59 -9.23 -0.19 0
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337272 127256954 1 NO2C24H29 AB2C24D29 -58.34 3.2 -9.04 0.17 0
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337273 127256955 1 N2O2C19H20 A2B2C19D20 -34.48 3.95 -9.22 -1.23 0
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337274 127256956 1 N3O3C17H19 A3B3C17D19 -69.86 3.14 -9.19 -1.66 0
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337275 127256957 1 NSO4C14H19 ABC4D14E19 -152.26 4.35 -9.15 -0.71 0
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337276 127256958 1 NF3O3C9H12 AB3C3D9E12 -282.73 4.78 -9.46 -0.99 0
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337277 127256959 1 NO2C10H15 AB2C10D15 -50.84 2.89 -9.11 0.55 0
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337278 127256960 1 NO4C15H21 AB4C15D21 -165.19 5.31 -9.15 0.12 0
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337279 127256961 1 NO4C15H21 AB4C15D21 -160.57 4.8 -8.93 0.32 0
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337280 127256962 1 NO3C15H21 AB3C15D21 -134.54 4.11 -9.13 0.02 0
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337281 127256963 1 NO3C17H25 AB3C17D25 -145.3 3.63 -9.04 0.2 0
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337282 127256964 1 NO3C17H25 AB3C17D25 -146.94 4.32 -8.67 0.33 0
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337283 127256965 1 N2O3C18H22 A2B3C18D22 -87.67 4.34 -8.37 -0.34 0
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337284 127256966 1 NO3C10H17 AB3C10D17 -135.15 4.63 -9.11 -0.09 0
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337285 127256967 1 NO3C17H25 AB3C17D25 -140.72 4.38 -9.15 -0.54 0
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337286 127256968 1 NO3C10H17 AB3C10D17 -146.05 2.65 -9.11 0.29 0
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337287 127256969 1 NO4C15H19 AB4C15D19 -157.2 3.0 -9.29 -0.78 0
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337288 127256970 1 NO2C15H21 AB2C15D21 -90.46 3.29 -9.01 0.17 0
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337289 127256971 1 NF2O3C17H23 AB2C3D17E23 -238.06 4.3 -9.22 -0.95 0
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337290 127256972 1 NO3C16H23 AB3C16D23 -132.24 4.8 -9.2 -0.67 0
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337291 127256973 1 NOC9H17 ABC9D17 -53.17 2.56 -8.25 1.26 0
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337292 127256974 1 NO3C11H21 AB3C11D21 -170.57 2.17 -9.21 0.42 0