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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137212 52170731 1 SN2O4C17H24 AB2C4D17E24 -153.49 2.76 -9.43 -0.53 0
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137213 52171158 1 ON6C18H20 AB6C18D20 59.18 4.48 -8.47 -0.89 0
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137214 52171159 1 SO3N4C20H20 AB3C4D20E20 -36.18 5.61 -8.55 -0.5 0
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137215 52171695 1 SN2O2C15H24 AB2C2D15E24 -76.17 4.15 -8.75 -0.45 0
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137216 52172029 1 NOC15H21 ABC15D21 -54.77 3.65 -9.32 0.19 0
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137217 52172203 1 O2N4C21H22 A2B4C21D22 -24.69 6.37 -8.86 -0.56 0
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137218 52172770 1 O2N3C23H33 A2B3C23D33 -68.31 2.66 -8.99 0.2 0
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137219 52172771 2 ON2C9H12 AB2C9D12 46.76 6.15 -9.33 -0.72 0
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137220 52172795 1 FNO5H12C15 ABC5D12E15 -108.65 4.69 -9.44 -1.58 0
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137221 52172817 1 FN3O6H14C15 AB3C6D14E15 -99.67 8.54 -9.54 -1.83 0
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137222 52172818 1 FN3O6H14C15 AB3C6D14E15 -97.67 5.16 -9.74 -1.65 0
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137223 52172819 1 FN3O6H14C15 AB3C6D14E15 -96.85 7.84 -9.41 -1.64 0
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137224 52172820 1 FN3O6H14C15 AB3C6D14E15 -101.46 5.1 -9.75 -1.75 1
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137225 52172821 1 FO2N3C15H23 AB2C3D15E23 -35.81 27.46 0.0 0.0 0
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137226 52172822 1 FO2N3C15H22 AB2C3D15E22 -68.36 8.75 -9.06 -1.12 0
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137227 52172904 1 N3O3C19H23 A3B3C19D23 -101.82 5.38 -8.87 -0.4 0
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137228 52173036 1 FON3C20H22 ABC3D20E22 -18.51 6.08 -8.74 -0.43 0
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137229 52173226 1 SO2N4C18H18 AB2C4D18E18 75.01 6.69 -8.89 -1.33 1
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137230 52173365 1 O2N3C25H30 A2B3C25D30 -19.79 2.76 0.0 0.0 0
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137231 52173366 1 O2N3C25H29 A2B3C25D29 -32.06 2.04 -8.74 -0.68 1
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137232 52173367 1 O3N4C22H29 A3B4C22D29 -18.77 4.4 0.0 0.0 0
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137233 52174302 1 ClN2F3O4H12C16 AB2C3D4E12F16 -209.4 5.44 -9.68 -1.55 0
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137234 52175199 1 BrNOC12H16 ABCD12E16 -22.21 2.0 -8.86 -0.18 1
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137235 52175381 1 IN2O2C15H18 AB2C2D15E18 -0.63 7.49 0.0 0.0 0
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137236 52175457 1 BrN2S2O3C10H13 AB2C2D3E10F13 -88.33 5.72 -9.52 -1.13 0
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137237 52175458 1 BrN2S2O3C10H13 AB2C2D3E10F13 -82.91 4.22 -9.56 -1.2 0
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137238 52175459 1 BrNS2O4C10H14 ABC2D4E10F14 -128.95 4.66 -9.7 -1.31 1
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137239 52175910 1 ON4C18H31 AB4C18D31 -18.8 3.41 0.0 0.0 0
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137240 52175911 1 ON4C18H30 AB4C18D30 -44.5 3.37 -8.28 0.34 0
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137241 52175912 1 ON5C14H17 AB5C14D17 32.11 2.41 -9.25 -0.82 0
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137242 52175928 1 SN3O4C10H21 AB3C4D10E21 -174.19 3.0 -9.4 0.45 1
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137243 52176305 1 SO3N4C19H33 AB3C4D19E33 -128.54 2.54 0.0 0.0 0
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137244 52176306 1 SO3N4C19H32 AB3C4D19E32 -132.72 1.89 -8.82 -0.27 1
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137245 52176307 1 SO3N4C19H33 AB3C4D19E33 -128.35 2.81 0.0 0.0 0
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137246 52176308 1 SO3N4C19H32 AB3C4D19E32 -129.96 4.3 -8.91 -0.13 -1
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137247 52176309 1 ClSN3O4H13C15 ABC3D4E13F15 -20.79 13.98 0.0 0.0 0
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137248 52176557 1 BrSN2O4C12H13 ABC2D4E12F13 -112.95 4.97 -10.27 -1.21 0
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137249 52176840 1 FS2N3O3C22H22 AB2C3D3E22F22 -83.05 5.37 -9.54 -1.38 1
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137250 52176904 1 F2O2N5H18C19 A2B2C5D18E19 -49.95 4.06 0.0 0.0 1
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137251 52176965 1 SO2N5H14C17 AB2C5D14E17 52.3 3.9 0.0 0.0 1
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137252 52177307 1 NC8H18 AB8C18 1.72 1.2 0.0 0.0 0
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137253 52177308 1 NC8H17 AB8C17 -31.5 1.83 -8.82 3.28 1
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137254 52177426 1 ON3C9H16 AB3C9D16 42.01 11.83 0.0 0.0 1
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137255 52177889 1 NOF3C15H21 ABC3D15E21 -178.86 14.32 0.0 0.0 0
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137256 52178119 1 SO2N3C12H21 AB2C3D12E21 -96.61 2.71 -8.57 -0.55 0
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137257 52178463 1 SN2O3H18C20 AB2C3D18E20 -30.37 5.62 -9.12 -1.44 0
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137258 52178464 1 ClSN4O4C14H15 ABC4D4E14F15 -42.55 9.86 -9.6 -1.52 0
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137259 52178610 2 OSN2H8C9 ABC2D8E9 64.92 5.74 -8.99 -1.21 0
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137260 52178909 2 NO2C8H8 AB2C8D8 -108.86 4.65 -8.79 -0.85 0
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137261 52178910 1 ON3S3C20H21 AB3C3D20E21 59.4 2.87 -8.64 -1.26 0
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137262 52179030 1 NOC14H19 ABC14D19 -41.93 3.94 -9.19 0.25 1
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137263 52179620 1 ClN2O3C21H26 AB2C3D21E26 -84.67 4.48 0.0 0.0 1
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137264 52179674 1 SN2O2C20H27 AB2C2D20E27 -27.87 2.41 0.0 0.0 0
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137265 52179705 1 FN2O3C20H25 AB2C3D20E25 -127.8 3.97 -8.96 -0.27 0
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137266 52179984 1 ON2H20C24 AB2C20D24 69.38 2.13 -9.05 -0.7 0
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137267 52180577 2 ON2C10H11 AB2C10D11 -20.63 1.36 -8.91 -0.99 0
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137268 52180731 1 S2N4O4C17H18 A2B4C4D17E18 -107.99 6.69 -8.86 -1.27 -1
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137269 52180800 1 F2O2C5H7 A2B2C5D7 -186.88 2.73 0.0 0.0 0
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137270 52180844 1 N2O3C11H20 A2B3C11D20 -151.7 2.0 -9.57 0.51 0
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137271 52180845 1 N2O3C11H20 A2B3C11D20 -151.17 2.6 -9.67 0.6 0
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137272 52181641 1 NS2O4C15H17 AB2C4D15E17 -139.04 4.96 -8.72 -0.8 0
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137273 52181741 2 NO2C9H11 AB2C9D11 -99.49 4.67 -8.64 -0.87 0
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137274 52181967 1 NF2O2C18H19 AB2C2D18E19 -142.95 3.78 -9.6 -0.9 0
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137275 52182911 1 ClO2N3C17H18 AB2C3D17E18 -58.08 5.28 -9.1 -0.5 0
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137276 52182912 1 ClN2O3C17H19 AB2C3D17E19 -88.57 2.62 -8.17 -0.49 1
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137277 52182957 1 ON4C13H23 AB4C13D23 -35.34 4.9 0.0 0.0 0
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137278 52182971 1 O2N3C18H27 A2B3C18D27 -95.66 3.85 -9.08 0.4 1
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137279 52183000 1 O2N5C21H34 A2B5C21D34 -54.46 4.11 0.0 0.0 0
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137280 52183211 2 NOSC9H11 ABCD9E11 -48.21 3.02 -8.57 -0.56 0
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137281 52183458 1 FSN2O3C15H15 ABC2D3E15F15 -122.03 5.21 -9.75 -1.14 0
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137282 52183485 1 NSO5C18H21 ABC5D18E21 -167.41 8.95 -9.01 -0.89 0
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137283 52183897 1 N3O3C21H29 A3B3C21D29 -127.7 5.19 -9.44 0.11 0
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137284 52184129 1 ClN2S2O3H17C18 AB2C2D3E17F18 -77.13 7.68 -9.21 -1.02 1
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137285 52184249 1 O2N5C15H24 A2B5C15D24 -56.77 5.39 0.0 0.0 0
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137286 52184278 1 FINO2C17H17 ABCD2E17F17 -72.52 4.37 -9.43 -1.38 0
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137287 52184279 1 NOS2C15H21 ABC2D15E21 -45.55 2.26 -8.41 -0.31 1
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137288 52184313 1 OSN2C15H25 ABC2D15E25 -25.19 2.39 0.0 0.0 0
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137289 52184340 1 ClO3N5H16C20 AB3C5D16E20 35.06 5.42 -9.94 -1.01 0
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137290 52184366 4 NOC5H6 ABC5D6 -35.13 7.18 -8.91 -1.4 0
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137291 52184625 1 ON5C14H21 AB5C14D21 -10.46 2.67 -9.1 -0.82 0
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137292 52184626 1 ON5C16H23 AB5C16D23 -7.4 6.12 -9.19 -0.81 0
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137293 52184783 1 O2N3C23H31 A2B3C23D31 -42.86 4.54 -7.97 0.0 1
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137294 52184813 1 ON5C25H34 AB5C25D34 39.96 4.82 0.0 0.0 0
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137295 52185149 1 NF3O4C19H20 AB3C4D19E20 -281.11 1.99 -8.28 -0.68 1
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137296 52185150 1 ON3C13H18 AB3C13D18 -8.92 5.94 0.0 0.0 0
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137297 52185327 1 N3O4C20H33 A3B4C20D33 -162.53 4.59 -8.9 0.4 0
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137298 52185592 1 SN3O3C14H15 AB3C3D14E15 -9.96 7.44 -9.22 -1.14 1
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137299 52185593 1 SO3N4C18H23 AB3C4D18E23 -2.23 7.44 0.0 0.0 0
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137300 52185594 1 SO3N4C18H22 AB3C4D18E22 -7.67 9.32 -9.12 -1.11 1
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137301 52186124 1 FON3C19H23 ABC3D19E23 -34.86 2.89 0.0 0.0 0
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137302 52186125 1 FON3C19H22 ABC3D19E22 -50.77 6.96 -8.88 -0.13 0
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137303 52186320 1 IN2O2C13H13 AB2C2D13E13 -18.47 2.4 -8.96 -1.01 0
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137304 52186459 1 F3N3O3C19H22 A3B3C3D19E22 -239.11 1.75 -9.12 -0.58 0
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137305 52186460 1 SF3N3O4C17H20 AB3C3D4E17F20 -309.22 5.81 -9.56 -0.86 0
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137306 52186461 1 SF3N3O4C17H20 AB3C3D4E17F20 -310.02 6.28 -9.55 -0.86 1
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137307 52186731 1 O2N3C21H32 A2B3C21D32 -48.78 2.71 0.0 0.0 1
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137308 52187592 1 F2O2N3C17H20 A2B2C3D17E20 -109.99 5.88 0.0 0.0 0
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137309 52188024 1 ClFN2O3C17H18 ABC2D3E17F18 -127.43 4.31 -8.44 -0.55 0
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137310 52188568 1 O2F3N4C18H25 A2B3C4D18E25 -244.04 8.19 -9.36 -0.59 0
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137311 52189009 1 ClOSN3C15H18 ABCD3E15F18 -26.07 3.06 -8.43 -0.04 0