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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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426256 135142942 2 N3C10H14 A3B10C14 135.17 3.5 -8.05 -0.4 0
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426257 135142943 1 O2N6C23H30 A2B6C23D30 -36.22 3.58 -8.89 -0.49 0
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426258 135142955 1 ON6C15H16 AB6C15D16 56.44 4.52 -8.49 -0.69 0
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426259 135142956 1 O2N7C27H29 A2B7C27D29 20.99 4.03 -8.98 -0.68 0
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426260 135143037 1 SN2O3C17H20 AB2C3D17E20 -80.13 6.5 -9.39 -0.04 0
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426261 135143040 1 ON2C16H18 AB2C16D18 1.6 2.54 -9.1 0.1 0
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426262 135143046 1 FO2N3C22H26 AB2C3D22E26 -89.1 2.29 -9.02 -0.2 0
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426263 135143048 1 FO2N3C23H28 AB2C3D23E28 -96.21 4.24 -9.25 -0.46 0
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426264 135143050 1 O6C23H40 A6B23C40 -339.93 10.02 -9.62 0.18 0
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426265 135143051 1 O5C9H12 A5B9C12 -203.18 5.17 -10.14 -0.41 0
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426266 135143052 1 N5H47C60 A5B47C60 288.72 3.28 -8.06 -1.13 0
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426268 135143054 1 OC27H46 AB27C46 -127.17 1.83 -9.21 1.38 0
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426269 135143055 1 NS2C12H19 AB2C12D19 -7.98 2.97 -8.55 -0.91 0
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426270 135143057 1 N5H47C58 A5B47C58 269.08 5.14 -8.1 -0.72 0
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426271 135143071 1 ClS2N4O5C29H33 AB2C4D5E29F33 -106.55 11.42 -9.12 -0.72 0
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426272 135143075 1 N6C13H18 A6B13C18 125.26 5.6 -7.64 -0.41 0
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426273 135143077 1 ClS2N5O5C26H32 AB2C5D5E26F32 -125.05 4.2 -8.62 -1.14 0
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426274 135143078 1 ClS2N4O5C28H31 AB2C4D5E28F31 -106.33 8.53 -9.23 -0.69 0
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426275 135143079 1 ClS2N4O4C28H35 AB2C4D4E28F35 -80.43 9.28 -8.36 -0.42 0
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426276 135143080 1 ClN6C13H15 AB6C13D15 129.24 3.2 -7.8 -0.73 0
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426277 135143158 2 OSN2C18H23 ABC2D18E23 2.37 4.14 -8.06 -0.01 0
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426278 135143162 1 ON4C15H20 AB4C15D20 -0.45 2.34 -9.03 -0.9 0
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426279 135143163 1 ON5H29C33 AB5C29D33 147.7 3.83 -8.81 -0.9 0
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426280 135143165 1 ON4H18C25 AB4C18D25 139.28 1.4 -8.77 -0.92 0
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426281 135143176 1 PSN3O3C28H38 ABC3D3E28F38 -68.09 3.5 -8.1 0.04 0
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426282 135143177 1 ON6C16H20 AB6C16D20 62.85 4.13 -8.53 -0.32 0
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426283 135143178 1 ON2C9H18 AB2C9D18 -58.65 4.77 -8.74 1.13 0
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426284 135143179 1 O4N5C25H35 A4B5C25D35 -92.82 4.75 -8.82 -0.36 0
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426285 135143180 1 N4O4C17H24 A4B4C17D24 -96.34 1.82 -8.74 -0.57 0
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426286 135143181 1 NPC14H32 ABC14D32 -70.96 0.28 -8.45 2.83 0
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426287 135143182 1 N3C13H13 A3B13C13 80.74 5.65 -8.07 0.02 0
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426288 135143183 1 N4H44C53 A4B44C53 280.93 4.87 -7.57 -0.82 0
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426289 135143184 1 SF2O2N5H15C19 AB2C2D5E15F19 57.55 6.99 -9.03 -1.39 0
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426290 135143188 1 O3N8C18H24 A3B8C18D24 -55.5 4.17 -8.8 -0.57 0
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426292 135143194 1 ClO2N3C11H12 AB2C3D11E12 -59.58 1.9 -9.1 -0.49 0
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426293 135143198 1 S2N5O5C29H35 A2B5C5D29E35 -115.73 2.29 -9.23 -0.88 0
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426294 135143199 1 SN2O3C9H12 AB2C3D9E12 -90.95 5.58 -9.97 -1.0 0
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426295 135143211 1 N2S2O3C16H20 A2B2C3D16E20 -78.1 5.66 -9.11 -1.05 0
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426296 135143212 1 O3S3N5C34H41 A3B3C5D34E41 -5.81 3.79 -8.15 -0.33 0
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426297 135143213 1 S2N5O5C36H41 A2B5C5D36E41 -81.98 7.48 -9.0 -0.77 0
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426298 135143215 1 BrFSN3O4C18H23 ABCD3E4F18G23 -169.87 3.01 -9.78 -0.58 0
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426299 135143279 1 N2O4C17H24 A2B4C17D24 -153.81 2.3 -9.12 0.0 0
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426300 135143290 1 FN3O3H22C24 AB3C3D22E24 -94.92 6.73 -9.18 -0.61 0
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426301 135143291 1 O2N4C17H18 A2B4C17D18 -25.5 1.46 -8.77 -0.16 0
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426302 135143299 1 OH24C36 AB24C36 109.88 1.51 -8.25 -0.98 0
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426303 135143300 1 NH31C42 AB31C42 154.0 0.88 -8.12 -0.4 0
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426304 135143301 1 O2N3C19H23 A2B3C19D23 -4.42 2.73 -8.76 -0.22 0
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426305 135143302 1 NH29C38 AB29C38 162.31 2.65 -8.04 -0.41 0
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426306 135143305 2 O2N4C10H13 A2B4C10D13 -105.95 5.84 -8.43 -0.72 0
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426307 135143306 1 ClN5H32C46 AB5C32D46 236.33 1.72 -8.36 -1.1 0
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426308 135143307 1 O2N4C13H14 A2B4C13D14 -13.49 5.31 -9.33 -0.85 0
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426309 135143313 1 FO2N3C16H22 AB2C3D16E22 -119.24 7.38 -9.52 -0.07 0
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426310 135143314 1 ClSO2N3C19H28 ABC2D3E19F28 -88.41 2.66 -8.79 -0.6 0
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426311 135143318 1 FO2N3C24H32 AB2C3D24E32 -106.15 2.61 -9.2 -0.16 0
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426312 135143319 1 SO2C11H16 AB2C11D16 -89.27 3.0 -8.34 0.04 0
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426313 135143320 1 SO7C15H18 AB7C15D18 -278.03 3.2 -10.33 -1.13 0
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426314 135143334 1 N2F3O12C46H69 A2B3C12D46E69 -688.92 8.81 -9.66 -1.12 0
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426315 135143343 1 FN2O2C14H19 AB2C2D14E19 -129.49 3.28 -9.66 -0.11 0
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426316 135143344 1 O2N3C17H25 A2B3C17D25 -81.36 2.28 -9.34 0.08 0
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426317 135143345 2 ON2C8H12 AB2C8D12 -71.04 3.59 -9.49 -0.35 0
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426318 135143408 1 FNC7H12 ABC7D12 -26.16 3.53 -10.01 0.74 0
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426319 135143409 1 FNC7H14 ABC7D14 -56.37 1.36 -9.92 0.78 0
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426320 135143410 1 ClSN2O2C19H23 ABC2D2E19F23 -13.95 7.55 -8.55 -0.44 0
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426323 135143418 1 OSF3N4H15C20 ABC3D4E15F20 1.8 3.75 -8.9 -1.65 0
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426324 135143419 1 SF2O4N6C22H24 AB2C4D6E22F24 -106.88 5.65 -9.23 -1.25 0
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426325 135143420 1 SF2O3N4C19H20 AB2C3D4E19F20 -125.29 7.75 -9.29 -1.21 0
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426326 135143421 1 ClSN2C10H13 ABC2D10E13 43.62 4.31 -8.75 -0.62 0
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426327 135143422 1 ClOSN2C17H23 ABCD2E17F23 -27.69 2.38 -8.01 -0.43 0
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426328 135143423 1 SF2O3N4C22H22 AB2C3D4E22F22 -69.09 6.72 -9.2 -0.95 0
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426329 135143424 1 N3C15H17 A3B15C17 107.17 4.26 -8.1 -0.45 0
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426330 135143425 1 O2S2N5C36H45 A2B2C5D36E45 12.83 2.98 -8.17 -0.24 0
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426331 135143434 1 N2O13C47H74 A2B13C47D74 -374.11 13.4 -5.65 -2.65 0
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426332 135143435 1 ClN2O11C51H75 AB2C11D51E75 -412.58 10.47 -8.57 -1.09 0
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426333 135143464 1 O2N3C20H45 A2B3C20D45 -170.29 2.07 -8.76 1.83 0
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426334 135143465 1 OSN5C39H53 ABC5D39E53 7.79 5.49 -7.79 -0.15 0
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426335 135143466 1 O3N5C20H27 A3B5C20D27 -47.97 4.02 -8.86 -0.34 1
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426336 135143510 1 OPSF3N3C30H38 ABCD3E3F30G38 -186.91 4.14 0.0 0.0 0
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426337 135143511 1 N4H24C31 A4B24C31 183.67 1.7 -8.42 -1.13 0
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426338 135143526 4 NOC7H10 ABC7D10 -100.83 4.74 -8.22 0.38 0
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426339 135143527 1 NH17C24 AB17C24 99.03 1.29 -8.4 -0.47 0
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426340 135143528 1 ClSN2O2C9H13 ABC2D2E9F13 -51.09 2.1 -8.4 -0.82 0
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426341 135143529 1 ClS2N5O5C25H26 AB2C5D5E25F26 -96.27 10.55 -9.07 -1.39 0
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426342 135143530 1 NH19C24 AB19C24 92.54 1.78 -7.92 -0.21 0
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426343 135143531 1 ClN3H18C21 AB3C18D21 111.56 3.73 -9.18 -1.31 0
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426344 135143541 1 SN3O3C27H31 AB3C3D27E31 -47.51 3.65 -8.94 -0.35 0
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426345 135143542 1 ON4H36C57 AB4C36D57 259.31 0.81 -8.33 -1.33 0
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426346 135143543 1 SN4O4C28H38 AB4C4D28E38 -106.91 1.98 -8.44 -0.3 0
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426347 135143544 1 SN2O4C12H22 AB2C4D12E22 -185.21 3.11 -10.04 -0.29 0
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426348 135143545 1 FSN2O4C20H33 ABC2D4E20F33 -239.24 6.54 -10.2 -0.06 0
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426349 135143546 1 BrSF2O3N6C25H25 ABC2D3E6F25G25 -54.16 6.57 -9.41 -1.4 0
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426350 135143547 1 SF2O2N6C23H24 AB2C2D6E23F24 -24.31 8.12 -8.58 -1.27 0
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426351 135143548 1 S2O4N5C36H41 A2B4C5D36E41 -55.55 2.14 -8.92 -0.9 0
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426352 135143549 1 SF2O3N6C25H26 AB2C3D6E25F26 -58.5 7.26 -9.33 -1.34 0
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426353 135143550 1 BrFSN2O4C19H24 ABCD2E4F19G24 -193.4 3.0 -9.82 -0.57 0
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426354 135143556 1 S2O4N5C25H31 A2B4C5D25E31 -68.31 8.09 -8.47 -0.51 0
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426355 135143559 1 ON4H30C45 AB4C30D45 209.05 2.14 -8.68 -1.2 0
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426356 135143560 1 ClON3H14C21 ABC3D14E21 81.26 6.11 -9.24 -1.09 0
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426357 135143563 1 ClON3H14C21 ABC3D14E21 96.32 4.25 -8.64 -1.38 0
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426358 135143575 1 BrFSN2O5C22H30 ABCD2E5F22G30 -256.6 2.73 -8.76 -0.44 0
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426359 135143585 2 N2H14C19 A2B14C19 190.47 1.37 -8.63 -1.06 0