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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81243 49854500 2 OF2N2C10H11 AB2C2D10E11 -245.17 2.19 -9.09 -0.44 0
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81244 49854501 1 O2F4N4C19H20 A2B4C4D19E20 -226.45 4.98 -8.92 -0.66 0
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81245 49854502 1 O2N4F5H17C18 A2B4C5D17E18 -281.59 1.61 -9.09 -0.84 0
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81246 49854503 1 O3N4F5H17C19 A3B4C5D17E19 -316.28 4.39 -9.27 -1.21 0
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81247 49854504 1 O3N4F5H17C19 A3B4C5D17E19 -316.7 2.88 -9.27 -1.16 0
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81248 49854506 3 NOH5C6 ABC5D6 0.77 4.91 -8.84 -1.31 0
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81249 49854507 1 N2O3H18C21 A2B3C18D21 -6.03 5.28 -8.47 -1.13 0
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81250 49854508 1 SN3O5C17H27 AB3C5D17E27 -169.04 4.65 -8.88 -0.4 0
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81251 49854509 1 SN3O6C17H25 AB3C6D17E25 -139.11 5.21 -9.68 -0.65 0
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81252 49854511 1 SN4O5C25H30 AB4C5D25E30 -112.03 5.19 -9.35 -0.84 0
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81253 49854512 1 SN3O6C24H33 AB3C6D24E33 -179.59 10.72 -9.1 -0.62 0
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81254 49854513 1 SN4O5C24H28 AB4C5D24E28 -104.25 2.42 -9.46 -1.01 0
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81255 49854514 1 O3N4H16C22 A3B4C16D22 -25.75 4.58 -9.56 -1.41 0
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81256 49854515 1 O3N5H23C25 A3B5C23D25 -19.87 3.85 -9.08 -1.5 0
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81257 49854517 1 O3N5C27H35 A3B5C27D35 -70.38 7.29 -8.53 -0.67 0
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81258 49854518 1 N6O6C25H28 A6B6C25D28 -139.4 1.95 -9.12 -0.99 0
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81259 49854519 1 ON2C18H26 AB2C18D26 -7.33 1.31 -8.24 0.3 0
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81260 49854520 1 ON2C18H22 AB2C18D22 60.7 2.08 -8.34 0.2 0
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81261 49854521 1 SN2O3C16H22 AB2C3D16E22 -79.05 6.66 -8.54 -0.05 0
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81262 49854522 1 SN2C15H20 AB2C15D20 45.84 1.09 -8.61 0.08 0
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81263 49854523 1 ON2C19H26 AB2C19D26 19.43 1.35 -8.31 0.28 0
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81264 49854524 1 SN3O5C18H23 AB3C5D18E23 -176.89 3.8 -8.95 -0.2 0
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81265 49854525 1 O4N5C19H21 A4B5C19D21 -62.43 2.46 -9.33 -0.57 0
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81266 49854526 1 FO3N4C19H21 AB3C4D19E21 -129.03 6.16 -9.12 -0.68 0
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81267 49854527 1 O3N4C19H22 A3B4C19D22 -73.44 8.07 -9.13 -0.44 0
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81268 49854528 1 O3N4C19H22 A3B4C19D22 -73.93 4.15 -8.93 -0.33 0
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81269 49854530 1 SO3N4C19H20 AB3C4D19E20 -63.22 4.02 -8.63 -0.73 0
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81270 49854532 1 N4O4C19H22 A4B4C19D22 -115.36 8.21 -9.16 -0.54 0
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81271 49854533 1 ON5C17H17 AB5C17D17 24.68 8.83 -8.6 -0.75 0
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81272 49854535 1 O4N6C21H22 A4B6C21D22 -62.47 5.48 -9.13 -2.22 0
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81273 49854536 1 O4N6C21H22 A4B6C21D22 -61.78 4.77 -9.32 -2.15 0
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81274 49854537 1 N2O4F6C27H28 A2B4C6D27E28 -474.21 3.29 -8.71 -1.37 0
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81275 49854538 1 N2O5F6C25H26 A2B5C6D25E26 -504.89 4.48 -8.72 -1.25 0
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81276 49854539 1 NO3H17C19 AB3C17D19 -85.92 2.7 -8.85 -0.72 0
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81277 49854540 1 ClSN2O5C32H53 ABC2D5E32F53 -253.42 8.74 -9.23 -0.25 0
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81278 49854542 1 NO10C27H31 AB10C27D31 -402.55 9.2 -9.06 -2.01 1
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81279 49854543 1 NaO2C3N3H9 AB2C3D3E9 -32.95 6.7 0.0 0.0 0
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81280 49854544 1 N2O6H24C25 A2B6C24D25 -162.24 12.05 -9.03 -0.92 0
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81281 49854545 3 NO2C7H7 AB2C7D7 -188.39 12.69 -8.79 -1.1 0
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81282 49854547 1 FSO3N5C19H20 ABC3D5E19F20 -76.65 3.62 -8.45 -0.4 0
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81283 49854549 1 FSO4N5C19H20 ABC4D5E19F20 -104.3 6.83 -8.28 -0.47 0
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81284 49854551 1 BrSO3N5H16C17 ABC3D5E16F17 -29.12 5.9 -8.84 -0.66 0
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81285 49854552 1 BrClFSO2N5H16C17 ABCDE2F5G16H17 -61.39 5.33 -8.94 -0.47 0
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81286 49854553 1 BrFSO2N5H15C17 ABCD2E5F15G17 -33.25 7.57 -8.66 -0.64 0
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81287 49854554 1 O2N7C30H43 A2B7C30D43 -29.57 3.0 -8.6 -0.05 0
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81288 49854555 1 SN3O3C14H17 AB3C3D14E17 -67.47 2.8 -9.3 -1.04 0
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81289 49854557 1 O11C27H38 A11B27C38 -510.47 7.89 -10.52 -0.84 0
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81290 49854558 2 O5C13H17 A5B13C17 -447.5 4.03 -9.76 -1.26 0
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81291 49854559 1 O3H10C16 A3B10C16 -49.84 3.57 -9.13 -1.33 0
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81292 49854561 1 S2N9O10C27H39 A2B9C10D27E39 -308.13 7.35 -9.72 -1.75 0
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81293 49854563 1 S2N9O10C31H41 A2B9C10D31E41 -319.93 8.04 -9.17 -1.86 0
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81294 49854564 1 SN4O5H24C25 AB4C5D24E25 -40.17 11.15 -9.13 -1.05 0
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81295 49854565 1 SN4O5C26H28 AB4C5D26E28 -81.63 5.59 -9.2 -1.15 0
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81296 49854567 1 SN4O5C24H24 AB4C5D24E24 -72.02 4.96 -9.26 -1.1 0
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81297 49854569 1 SO3N5C17H19 AB3C5D17E19 -61.37 7.51 -8.93 -1.52 0
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81298 49854572 1 SO2N7C22H31 AB2C7D22E31 -39.66 3.31 -8.82 -1.1 0
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81299 49854574 1 SF3O3N6C21H25 AB3C3D6E21F25 -234.26 3.67 -9.12 -1.38 0
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81300 49854575 1 F2N2O3H26C27 A2B2C3D26E27 -160.56 3.43 -9.13 -1.08 0
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81301 49854576 1 N2O3C28H30 A2B3C28D30 -77.62 2.77 -8.7 -0.48 0
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81302 49854577 1 N2O3C28H30 A2B3C28D30 -74.43 7.73 -8.71 -0.72 0
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81303 49854578 1 ON5C23H23 AB5C23D23 51.35 8.11 -8.38 -0.54 0
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81304 49854579 1 O2N4H14C15 A2B4C14D15 32.2 6.87 -8.66 -0.79 0
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81305 49854580 2 ON2C9H9 AB2C9D9 34.54 7.65 -8.71 -0.75 0
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81306 49854581 1 ON2C19H22 AB2C19D22 -11.62 5.03 -8.09 -0.03 0
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81307 49854582 1 ON2C20H24 AB2C20D24 -8.88 2.64 -8.04 -0.04 0
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81308 49854583 1 ON2C20H24 AB2C20D24 10.19 1.27 -7.98 0.1 0
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81309 49854584 1 ON2F3C20H21 AB2C3D20E21 -168.88 0.95 -8.08 -0.84 0
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81310 49854585 1 ClON2C19H21 ABC2D19E21 -16.39 1.68 -8.02 -0.41 0
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81311 49854586 1 N2O3C20H24 A2B3C20D24 -39.56 2.6 -8.07 -0.5 0
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81312 49854587 1 ON2C18H20 AB2C18D20 36.27 1.33 -8.06 -0.55 0
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81313 49854590 1 ClSN3O5C26H28 ABC3D5E26F28 -130.82 6.33 -8.18 -1.21 0
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81314 49854592 1 SF2N3O4H23C24 AB2C3D4E23F24 -170.36 4.21 -8.87 -1.34 0
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81315 49854593 1 FS2O4N6H19C23 AB2C4D6E19F23 -55.66 7.73 -8.97 -1.6 0
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81316 49854594 1 FSN4O5C27H29 ABC4D5E27F29 -192.93 7.58 -8.95 -1.58 0
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81317 49854595 1 ClSO4N5H22C26 ABC4D5E22F26 -42.77 10.74 -9.16 -1.61 0