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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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336205 127255212 1 SO2N3C24H29 AB2C3D24E29 -41.67 2.99 -8.81 -0.75 0
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336206 127255213 1 O2N5C16H19 A2B5C16D19 21.8 5.81 -8.65 -0.78 0
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336207 127255214 1 O2N5C16H17 A2B5C16D17 33.45 3.74 -8.66 -1.2 0
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336208 127255215 1 BrNO4H24C34 ABC4D24E34 -1.74 4.72 -8.49 -1.38 0
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336209 127255216 1 ClON6C12H15 ABC6D12E15 50.2 3.96 -9.57 -1.16 0
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336210 127255217 1 SO3N5C19H23 AB3C5D19E23 -74.19 3.24 -8.61 -0.76 0
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336211 127255218 1 O2N5C23H29 A2B5C23D29 -27.6 8.48 -8.76 -0.69 0
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336212 127255219 1 N3O4C27H27 A3B4C27D27 -47.89 4.1 -8.67 -0.88 0
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336213 127255220 1 ON5C19H23 AB5C19D23 29.52 2.13 -8.31 -0.69 0
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336214 127255221 1 O3N4C24H24 A3B4C24D24 -35.83 3.3 -8.09 -0.48 0
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336215 127255222 1 FNO5H26C35 ABC5D26E35 -29.54 6.43 -8.42 -1.3 0
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336216 127255223 1 SO3N4C19H32 AB3C4D19E32 -116.0 6.26 -8.71 -0.25 0
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336217 127255224 1 O2N3C16H21 A2B3C16D21 -43.75 4.21 -8.71 -0.29 0
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336218 127255225 1 BrN3O4C21H22 AB3C4D21E22 -116.5 4.32 -9.24 -0.44 0
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336219 127255226 1 ClN3O4C21H22 AB3C4D21E22 -128.75 3.63 -9.22 -0.43 0
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336220 127255227 1 ClO2S2N3C17H18 AB2C2D3E17F18 -9.14 3.45 -8.77 -0.97 0
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336221 127255228 1 N3O5H21C25 A3B5C21D25 -110.86 3.75 -8.83 -1.17 0
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336222 127255229 1 O3N4C12H14 A3B4C12D14 -52.49 3.74 -8.61 -0.66 0
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336223 127255230 1 SO3N5C19H21 AB3C5D19E21 -3.29 5.76 -8.22 -1.33 0
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336224 127255231 2 ON2C12H13 AB2C12D13 10.05 6.77 -8.37 -0.36 0
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336225 127255232 1 ON3C22H27 AB3C22D27 -12.35 5.92 -8.24 0.08 0
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336226 127255233 1 ON3H21C22 AB3C21D22 24.57 7.33 -8.0 -0.3 0
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336227 127255234 1 N4O5C21H28 A4B5C21D28 -175.36 3.2 -8.82 -0.21 0
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336228 127255235 1 O4N5H15C16 A4B5C15D16 -26.97 5.75 -8.7 -1.18 0
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336229 127255236 1 FOSN6H11C12 ABCD6E11F12 35.78 7.74 -9.71 -1.26 0
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336230 127255237 1 N4O5H12C15 A4B5C12D15 -87.17 4.37 -9.02 -1.57 0
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336231 127255238 1 F3N3O3H14C23 A3B3C3D14E23 -171.22 4.81 -9.47 -1.36 0
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336232 127255239 1 FO3N4C19H25 AB3C4D19E25 -152.93 3.39 -8.69 -0.16 0
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336233 127255240 1 N3O3C21H23 A3B3C21D23 -40.12 3.35 -8.21 -0.69 0
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336234 127255241 1 O3N5C17H23 A3B5C17D23 -94.08 2.85 -8.54 0.07 0
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336235 127255242 1 ON3C23H27 AB3C23D27 14.95 7.27 -8.56 -0.16 0
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336236 127255243 1 F2N3O3H19C23 A2B3C3D19E23 -154.65 6.4 -8.36 -0.82 0
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336237 127255244 1 OSN5C18H23 ABC5D18E23 25.57 5.39 -9.67 -1.33 0
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336238 127255245 1 SN3O4H17C20 AB3C4D17E20 -36.82 3.24 -8.12 -1.36 0
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336239 127255246 1 ClSN2O5C15H19 ABC2D5E15F19 -207.89 7.96 -9.2 -0.52 0
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336240 127255247 1 N2O3H24C25 A2B3C24D25 -30.17 2.71 -8.42 -1.02 0
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336241 127255248 1 SO3N4H14C18 AB3C4D14E18 3.48 5.38 -8.34 -1.13 0
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336242 127255249 1 FON6C19H23 ABC6D19E23 -2.63 8.33 -8.59 -0.57 0
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336243 127255250 1 ON8C18H24 AB8C18D24 85.68 3.6 -9.38 -1.0 0
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336244 127255251 2 ClNO2C9H15 ABC2D9E15 -228.02 3.81 -8.6 -1.09 0
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336245 127255252 1 N3O6C19H21 A3B6C19D21 -171.84 1.33 -8.81 -1.03 0
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336246 127255253 1 N2O3C15H16 A2B3C15D16 -57.91 4.86 -8.56 -0.54 0
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336247 127255254 1 BrFSN3O4H17C27 ABCD3E4F17G27 -11.36 6.27 -8.98 -1.76 0
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336248 127255255 2 ON3C11H12 AB3C11D12 31.51 7.34 -9.02 -1.27 0
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336249 127255256 1 ClNO5H26C35 ABC5D26E35 5.12 5.91 -8.26 -1.1 0
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336250 127255257 1 ClO2N4H13C15 AB2C4D13E15 -22.92 8.93 -9.17 -1.38 0
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336251 127255258 1 N2O3C20H28 A2B3C20D28 -95.6 5.6 -8.44 0.04 0
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336252 127255259 1 O3N5C21H23 A3B5C21D23 -53.64 4.78 -8.37 -0.84 0
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336253 127255260 1 ON4C20H24 AB4C20D24 7.01 5.14 -8.12 -0.38 0
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336254 127255261 1 SN3O5C23H23 AB3C5D23E23 -136.48 3.21 -8.67 -1.04 0
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336255 127255262 1 FN3O4C25H30 AB3C4D25E30 -128.0 3.82 -8.26 -0.95 0
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336256 127255263 1 SN3O5C13H21 AB3C5D13E21 -183.0 9.6 -8.64 -0.09 0
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336257 127255264 4 NOC5H7 ABC5D7 -153.3 5.34 -8.32 0.34 0
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336258 127255265 1 N2O4C19H24 A2B4C19D24 -129.47 9.33 -8.49 -0.32 0
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336259 127255266 1 O3N4C24H26 A3B4C24D26 -80.61 5.73 -8.88 -0.21 0
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336260 127255267 1 SN3O4C19H23 AB3C4D19E23 -90.53 4.59 -9.31 -0.34 0
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336261 127255268 1 N3O4C18H21 A3B4C18D21 -96.55 7.19 -8.59 -0.54 0
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336262 127255269 1 O2N5C22H23 A2B5C22D23 12.57 5.35 -8.86 -0.57 0
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336263 127255270 1 ON7C16H21 AB7C16D21 65.18 5.6 -9.14 -0.58 0
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336264 127255271 1 OS2N4H14C15 AB2C4D14E15 49.57 7.16 -8.47 -1.3 0
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336265 127255272 1 SN3O7C24H25 AB3C7D24E25 -230.57 5.76 -9.0 -1.14 0
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336266 127255273 1 O2N5C21H25 A2B5C21D25 -24.98 5.73 -8.63 -0.66 0
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336267 127255274 4 NOC5H7 ABC5D7 -146.22 4.66 -8.21 0.11 0
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336268 127255275 1 O2N5H19C20 A2B5C19D20 8.73 7.18 -8.17 -0.57 0
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336269 127255276 1 O4N5C23H23 A4B5C23D23 -64.92 2.74 -9.06 -1.15 0
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336270 127255277 1 OSN6C11H16 ABC6D11E16 54.12 2.62 -9.44 -0.83 0
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336271 127255278 1 ClSN3O6C19H22 ABC3D6E19F22 -191.61 12.12 -9.58 -1.43 1
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336272 127255279 1 SN3O6C19H22 AB3C6D19E22 -143.68 6.03 0.0 0.0 0
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336273 127255280 1 BrSN2O3H21C31 ABC2D3E21F31 88.29 4.46 -8.54 -1.27 0
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336274 127255281 1 ClN4O4C18H23 AB4C4D18E23 -137.33 7.38 -8.57 -0.38 1
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336275 127255282 1 N4O4C18H23 A4B4C18D23 -110.25 8.74 0.0 0.0 0
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336276 127255283 3 NOC6H7 ABC6D7 -87.3 4.57 -8.65 -0.56 0
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336277 127255284 1 NCl2O3H23C34 AB2C3D23E34 63.89 7.31 -8.56 -1.27 0
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336278 127255285 1 ON6C14H20 AB6C14D20 45.72 3.16 -10.09 -0.68 0
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336279 127255286 1 N3O5C23H23 A3B5C23D23 -137.84 4.1 -8.8 -0.9 0
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336280 127255287 1 O2N6C21H22 A2B6C21D22 12.91 4.59 -9.23 -0.97 0
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336281 127255288 1 N5O5H11C15 A5B5C11D15 -64.84 2.47 -9.3 -1.95 0
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336283 127255290 1 BrN2O5H23C34 AB2C5D23E34 -38.27 5.03 -8.47 -0.61 0
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336284 127255291 1 N4O5C27H30 A4B5C27D30 -185.13 4.05 -9.09 -0.05 0
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336285 127255292 1 SN3O7C23H23 AB3C7D23E23 -226.56 8.73 -9.08 -1.25 0
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336286 127255293 1 O3N5H17C20 A3B5C17D20 -30.36 9.44 -8.74 -1.27 0
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336287 127255294 1 SN4O5H22C25 AB4C5D22E25 -100.33 4.12 -8.36 -1.18 0
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336288 127255295 1 ClSO2N5C21H26 ABC2D5E21F26 -34.22 5.44 -8.66 -0.23 0
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336289 127255296 1 NO4C21H21 AB4C21D21 -91.8 4.92 -8.51 -0.78 0
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336290 127255297 1 ClSO2N3C14H14 ABC2D3E14F14 -15.14 3.69 -8.73 -0.62 0
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336291 127255298 1 ON4C18H22 AB4C18D22 2.72 3.36 -8.54 -0.22 0
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336292 127255299 1 F3N3O3H22C32 A3B3C3D22E32 -168.44 6.34 -8.98 -0.73 0
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336293 127255300 1 ClNF2O3H20C33 ABC2D3E20F33 -7.96 5.16 -8.95 -1.32 0
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336294 127255301 1 N3O4C19H29 A3B4C19D29 -181.29 2.88 -9.16 0.69 0
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336295 127255302 1 F3N3O5H14C24 A3B3C5D14E24 -254.03 8.48 -8.93 -1.89 0
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336296 127255303 1 ClSN4O6H17C27 ABC4D6E17F27 19.85 5.18 -8.98 -2.42 0
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336297 127255304 1 O3N5H19C25 A3B5C19D25 -19.63 4.36 -8.5 -1.22 0
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336298 127255305 1 O3N4C23H24 A3B4C23D24 -16.42 5.52 -8.33 -0.39 0
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336299 127255306 1 N3O3H21C25 A3B3C21D25 -34.97 2.37 -9.25 -0.99 0
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336300 127255307 1 N4O5H24C28 A4B5C24D28 -88.62 5.92 -8.25 -0.88 0
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336301 127255308 1 O2N3C17H17 A2B3C17D17 -3.93 5.93 -8.95 -1.33 0
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336302 127255309 1 SO3N4C16H18 AB3C4D16E18 -47.74 2.22 -8.78 -0.15 0
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336303 127255310 1 SO2N5C19H19 AB2C5D19E19 43.23 7.15 -8.32 -0.62 0
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336304 127255311 1 SCl2O2N3H13C14 AB2C2D3E13F14 -21.84 4.38 -8.72 -1.07 0
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336305 127255312 1 ON3C21H23 AB3C21D23 25.57 7.32 -8.59 -0.19 0